| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 48.3 | Very low | 84 | Confident | 160 Ų | 160 | 61.9 Ų | 61.9 | 79% | 0.788 | 34% | 0.34 | S | S | * | . | 0 | 142.5 | 0 | -75.7 | 178.2 | -170.3 | 0 | 0 | 109.4 | N3 | M1-N3 PolarHBondContact O-N 3.21Å; M1-N3 VanDerWaalsContact O-N 3.1Å | |||
| 2 | A | 72.1 | Confident | 84.9 | Confident | 50 Ų | 50 | 60.5 Ų | 60.5 | 41% | 0.413 | 34% | 0.338 | S | S | . | . | trans | -75.4 | 98 | 175.3 | 0 | 0 | 0 | 0 | 0 | 109.6 | F202 | A2-F202 VanDerWaalsContact C-CZ 3.45Å; A2-F202 HydrophobicContact CB-CZ 3.87Å; A2-F202 VanDerWaalsContact O-CE1 3.25Å; A2-F202 WeakPolarHBondContact O-CE1 3.11Å; A2-F202 WeakPolarHBondContact O-CZ 3.23Å | ||
| 3 | N | 84.3 | Confident | 85.6 | Confident | 60 Ų | 60 | 60 Ų | 60 | 32% | 0.321 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -151.3 | 172.5 | 174.5 | 62.7 | 34.4 | 0 | 0 | 0 | 109.2 | M1 K5 G6 H7 | M1-N3 PolarHBondContact O-N 3.21Å; M1-N3 VanDerWaalsContact O-N 3.1Å; N3-K5 VanDerWaalsContact C-N 3.31Å; N3-K5 PolarHBondContact O-N 3.24Å; N3-K5 PolarHBondContact OD1-N 2.9Å; N3-K5 VanDerWaalsContact OD1-N 3.17Å; N3-G6 PolarHBondContact O-N 3.44Å; N3-G6 PolarHBondContact OD1-N 3.07Å; N3-H7 PolarHBondContact O-N 3.15Å; N3-H7 PolarHBondContact O-ND1 3.43Å |
| 4 | F | 88.3 | Confident | 86.3 | Confident | 39 Ų | 39 | 57.1 Ų | 57.1 | 17% | 0.171 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -54.3 | -46.1 | 179.3 | -176.1 | -91.8 | 0 | 0 | 0 | 112.5 | G6 H7 A8 F195 F199 F202 L204 | F4-G6 VanDerWaalsContact C-N 3.31Å; F4-G6 PolarHBondContact O-N 3.08Å; F4-H7 PolarHBondContact O-N 3.26Å; F4-H7 VanDerWaalsContact O-N 3.09Å; F4-A8 HydrophobicContact CD1-CB 4.01Å; F4-A8 HydrophobicContact CE1-CB 3.67Å; F4-A8 HydrophobicContact CZ-CB 4.22Å; F4-A8 WeakPolarHBondContact O-CB 3.39Å; F4-A8 PolarHBondContact O-N 3.13Å; F4-F195 HydrophobicContact CZ-CD1 4.35Å; F4-F199 AromaticContact CE2-CD1 3.71Å; F4-F199 HydrophobicContact CE2-CD1 3.71Å; F4-F199 AromaticContact CE2-CE1 3.65Å; F4-F199 HydrophobicContact CE2-CE1 3.65Å; F4-F199 HydrophobicContact CE2-CE2 4.45Å; F4-F199 HydrophobicContact CE2-CG 4.14Å; F4-F199 HydrophobicContact CE2-CZ 4.04Å; F4-F199 HydrophobicContact CZ-CD1 4.4Å; F4-F199 AromaticContact CZ-CE1 3.88Å; F4-F199 HydrophobicContact CZ-CE1 3.88Å; F4-F199 AromaticContact CZ-CZ 3.97Å; F4-F199 HydrophobicContact CZ-CZ 3.97Å; F4-F202 HydrophobicContact CB-CB 3.97Å; F4-L204 HydrophobicContact CB-CD2 4.13Å; F4-L204 HydrophobicContact CD1-CD1 4.43Å; F4-L204 HydrophobicContact CD1-CD2 3.86Å; F4-L204 HydrophobicContact CD1-CG 4.48Å; F4-L204 HydrophobicContact CD2-CD2 3.99Å; F4-L204 HydrophobicContact CD2-CG 4.09Å; F4-L204 HydrophobicContact CE1-CD1 4Å; F4-L204 HydrophobicContact CE1-CD2 4.27Å; F4-L204 HydrophobicContact CE1-CG 4.48Å; F4-L204 HydrophobicContact CE2-CD1 4.11Å; F4-L204 HydrophobicContact CE2-CD2 4.41Å; F4-L204 HydrophobicContact CE2-CG 4.11Å; F4-L204 HydrophobicContact CG-CD2 3.71Å; F4-L204 HydrophobicContact CG-CG 4.29Å; F4-L204 HydrophobicContact CZ-CD1 3.84Å; F4-L204 HydrophobicContact CZ-CG 4.31Å |
| 5 | K | 87.1 | Confident | 87 | Confident | 169 Ų | 169 | 56.2 Ų | 56.2 | 74% | 0.735 | 32% | 0.315 | S | S | * | . | H | α-helix | trans | -61.3 | -39 | -179 | -66.4 | -176 | 179.3 | -179.5 | 0 | 112.4 | N3 H7 A8 L9 | N3-K5 VanDerWaalsContact C-N 3.31Å; N3-K5 PolarHBondContact O-N 3.24Å; N3-K5 PolarHBondContact OD1-N 2.9Å; N3-K5 VanDerWaalsContact OD1-N 3.17Å; K5-H7 PolarHBondContact O-N 3.49Å; K5-A8 PolarHBondContact O-N 3.47Å; K5-L9 WeakPolarHBondContact O-CB 3.49Å; K5-L9 PolarHBondContact O-N 3.16Å |
| 6 | G | 84.6 | Confident | 87.6 | Confident | 36 Ų | 36 | 59.6 Ų | 59.6 | 37% | 0.371 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -64.4 | -22.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | N3 F4 P10 | N3-G6 PolarHBondContact O-N 3.44Å; N3-G6 PolarHBondContact OD1-N 3.07Å; F4-G6 VanDerWaalsContact C-N 3.31Å; F4-G6 PolarHBondContact O-N 3.08Å; G6-P10 WeakPolarHBondContact O-CD 3.45Å; G6-P10 VanDerWaalsContact O-CG 3.23Å; G6-P10 WeakPolarHBondContact O-CG 3.4Å |
| 7 | H | 90.8 | Very high | 88 | Confident | 18 Ų | 18 | 58.8 Ų | 58.8 | 8% | 0.083 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -96 | -41 | 173 | -62.4 | 82.9 | 0 | 0 | 0 | 112 | N3 F4 K5 L9 P10 G11 H153 F194 I197 F202 | N3-H7 PolarHBondContact O-N 3.15Å; N3-H7 PolarHBondContact O-ND1 3.43Å; F4-H7 PolarHBondContact O-N 3.26Å; F4-H7 VanDerWaalsContact O-N 3.09Å; K5-H7 PolarHBondContact O-N 3.49Å; H7-L9 VanDerWaalsContact C-N 3.32Å; H7-L9 PolarHBondContact O-N 2.93Å; H7-P10 VanDerWaalsContact O-CD 3.32Å; H7-P10 WeakPolarHBondContact O-CD 3.41Å; H7-P10 WeakPolarHBondContact O-CG 3.5Å; H7-G11 PolarHBondContact O-N 3.41Å; H7-H153 AromaticContact NE2-NE2 3.62Å; H7-F194 WeakPolarHBondContact CB-O 3.49Å; H7-F194 WeakPolarHBondContact O-CB 3.35Å; H7-I197 WeakPolarHBondContact CD2-CG2 3.34Å; H7-I197 WeakPolarHBondContact NE2-CG2 3.4Å; H7-F202 AromaticContact CE1-CE2 3.53Å; H7-F202 AromaticContact ND1-CE2 3.87Å |
| 8 | A | 92.5 | Very high | 88.5 | Confident | 13 Ų | 13 | 55.5 Ų | 55.5 | 11% | 0.107 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -64.8 | -34.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.8 | F4 K5 S12 F195 | F4-A8 HydrophobicContact CD1-CB 4.01Å; F4-A8 HydrophobicContact CE1-CB 3.67Å; F4-A8 HydrophobicContact CZ-CB 4.22Å; F4-A8 WeakPolarHBondContact O-CB 3.39Å; F4-A8 PolarHBondContact O-N 3.13Å; K5-A8 PolarHBondContact O-N 3.47Å; A8-S12 VanDerWaalsContact O-CB 3.31Å; A8-S12 WeakPolarHBondContact O-CB 3.44Å; A8-S12 PolarHBondContact O-N 2.9Å; A8-S12 PolarHBondContact O-OG 3.35Å; A8-F195 HydrophobicContact CB-CD1 4.32Å; A8-F195 HydrophobicContact CB-CE1 3.84Å; A8-F195 HydrophobicContact CB-CZ 4.37Å |
| 9 | L | 90.8 | Very high | 88.9 | Confident | 107 Ų | 107 | 55.9 Ų | 55.9 | 56% | 0.56 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -63.6 | -59.6 | 178 | -178.3 | 68.4 | 0 | 0 | 0 | 112.5 | K5 H7 G11 S12 C13 | K5-L9 WeakPolarHBondContact O-CB 3.49Å; K5-L9 PolarHBondContact O-N 3.16Å; H7-L9 VanDerWaalsContact C-N 3.32Å; H7-L9 PolarHBondContact O-N 2.93Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3Å; L9-S12 PolarHBondContact O-N 3.01Å; L9-C13 PolarHBondContact O-N 3.3Å; L9-C13 VanDerWaalsContact O-N 3.16Å; L9-C13 PolarHBondContact O-SG 3.37Å |
| 10 | P | 91 | Very high | 89.3 | Confident | 29 Ų | 29 | 56.6 Ų | 56.6 | 19% | 0.188 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -62 | -37.7 | 175.7 | 23.9 | -32.7 | 0 | 0 | 0 | 111.6 | G6 H7 S12 C13 F14 F194 | G6-P10 WeakPolarHBondContact O-CD 3.45Å; G6-P10 VanDerWaalsContact O-CG 3.23Å; G6-P10 WeakPolarHBondContact O-CG 3.4Å; H7-P10 VanDerWaalsContact O-CD 3.32Å; H7-P10 WeakPolarHBondContact O-CD 3.41Å; H7-P10 WeakPolarHBondContact O-CG 3.5Å; P10-S12 VanDerWaalsContact C-N 3.32Å; P10-S12 PolarHBondContact O-N 2.92Å; P10-C13 PolarHBondContact O-N 3.05Å; P10-F14 HydrophobicContact CB-CD2 4.36Å; P10-F14 HydrophobicContact CB-CE2 4.2Å; P10-F14 WeakPolarHBondContact O-CD2 3.45Å; P10-F14 PolarHBondContact O-N 3.4Å; P10-F194 HydrophobicContact CB-CE2 4.39Å; P10-F194 HydrophobicContact CB-CZ 4.37Å; P10-F194 HydrophobicContact CG-CD1 4.15Å; P10-F194 HydrophobicContact CG-CE1 4.18Å; P10-F194 HydrophobicContact CG-CG 4.47Å |
| 11 | G | 94.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -55.5 | -45 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | H7 L9 L15 G191 F194 | H7-G11 PolarHBondContact O-N 3.41Å; L9-G11 VanDerWaalsContact C-N 3.28Å; L9-G11 PolarHBondContact O-N 3Å; G11-L15 WeakPolarHBondContact O-CB 3.33Å; G11-L15 PolarHBondContact O-N 3.25Å; G11-G191 VanDerWaalsContact CA-O 3.3Å; G11-G191 WeakPolarHBondContact CA-O 3.37Å; G11-G191 WeakPolarHBondContact O-CA 3.35Å; G11-F194 VanDerWaalsContact CA-CB 3.46Å |
| 12 | S | 95 | Very high | 91.9 | Very high | 45 Ų | 45 | 46.4 Ų | 46.4 | 32% | 0.315 | 27% | 0.265 | S | S | . | . | H | α-helix | trans | -62.9 | -46.1 | 176.4 | -59.1 | 0 | 0 | 0 | 0 | 111.8 | A8 L9 P10 L15 L16 F195 | A8-S12 VanDerWaalsContact O-CB 3.31Å; A8-S12 WeakPolarHBondContact O-CB 3.44Å; A8-S12 PolarHBondContact O-N 2.9Å; A8-S12 PolarHBondContact O-OG 3.35Å; L9-S12 PolarHBondContact O-N 3.01Å; P10-S12 VanDerWaalsContact C-N 3.32Å; P10-S12 PolarHBondContact O-N 2.92Å; S12-L15 PolarHBondContact O-N 3.43Å; S12-L16 VanDerWaalsContact O-CB 3.32Å; S12-L16 WeakPolarHBondContact O-CB 3.45Å; S12-L16 VanDerWaalsContact O-CG 3.23Å; S12-L16 WeakPolarHBondContact O-CG 3.26Å; S12-L16 PolarHBondContact O-N 2.97Å; S12-F195 WeakPolarHBondContact OG-CZ 3.34Å |
| 13 | C | 93.6 | Very high | 92.9 | Very high | 54 Ų | 54 | 47 Ų | 47 | 37% | 0.365 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.2 | -50.9 | 179.7 | -68.1 | 0 | 0 | 0 | 0 | 111.7 | L9 P10 L16 L17 | L9-C13 PolarHBondContact O-N 3.3Å; L9-C13 VanDerWaalsContact O-N 3.16Å; L9-C13 PolarHBondContact O-SG 3.37Å; P10-C13 PolarHBondContact O-N 3.05Å; C13-L16 PolarHBondContact O-N 3.36Å; C13-L17 WeakPolarHBondContact O-CB 3.25Å; C13-L17 VanDerWaalsContact O-CG 3.31Å; C13-L17 WeakPolarHBondContact O-CG 3.4Å; C13-L17 PolarHBondContact O-N 3.45Å |
| 14 | F | 95.9 | Very high | 93.3 | Very high | 19 Ų | 19 | 45.3 Ų | 45.3 | 8% | 0.083 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -66.9 | -39 | 179.5 | -69.8 | -59.9 | 0 | 0 | 0 | 112.4 | P10 L17 G18 F102 F131 E134 T187 Q190 F194 | P10-F14 HydrophobicContact CB-CD2 4.36Å; P10-F14 HydrophobicContact CB-CE2 4.2Å; P10-F14 WeakPolarHBondContact O-CD2 3.45Å; P10-F14 PolarHBondContact O-N 3.4Å; F14-L17 PolarHBondContact O-N 3.27Å; F14-G18 PolarHBondContact O-N 3.45Å; F14-F102 HydrophobicContact CE1-CE1 4.11Å; F14-F102 HydrophobicContact CE1-CE2 4.48Å; F14-F102 AromaticContact CE1-CZ 3.75Å; F14-F102 HydrophobicContact CE1-CZ 3.75Å; F14-F102 HydrophobicContact CZ-CE2 4.12Å; F14-F102 AromaticContact CZ-CZ 3.78Å; F14-F102 HydrophobicContact CZ-CZ 3.78Å; F14-F131 HydrophobicContact CD1-CE1 4.02Å; F14-F131 HydrophobicContact CD1-CZ 4.32Å; F14-F131 AromaticContact CE1-CE1 3.57Å; F14-F131 HydrophobicContact CE1-CE1 3.57Å; F14-F131 HydrophobicContact CE1-CZ 4.06Å; F14-F131 HydrophobicContact CZ-CE1 4.34Å; F14-E134 WeakPolarHBondContact CE2-OE1 2.97Å; F14-E134 VanDerWaalsContact CZ-OE1 3.26Å; F14-E134 WeakPolarHBondContact CZ-OE1 3.25Å; F14-E134 WeakPolarHBondContact CZ-OE2 3.42Å; F14-T187 HydrophobicContact CB-CG2 4.42Å; F14-T187 HydrophobicContact CD1-CG2 4.45Å; F14-Q190 HydrophobicContact CD2-CG 4.35Å; F14-Q190 VanDerWaalsContact CE2-NE2 3.32Å; F14-Q190 HydrophobicContact CG-CG 4.46Å; F14-Q190 VanDerWaalsContact CZ-NE2 3.34Å; F14-F194 HydrophobicContact CD2-CD2 4.06Å; F14-F194 AromaticContact CD2-CE2 3.72Å; F14-F194 HydrophobicContact CD2-CE2 3.72Å; F14-F194 AromaticContact CE2-CE2 3.82Å; F14-F194 HydrophobicContact CE2-CE2 3.82Å; F14-F194 HydrophobicContact CE2-CZ 4.5Å |
| 15 | L | 96.8 | Very high | 93.4 | Very high | 44 Ų | 44 | 44.7 Ų | 44.7 | 23% | 0.23 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.4 | -45 | 178.2 | -170.9 | 63.7 | 0 | 0 | 0 | 111.3 | G11 S12 G18 L19 I188 F195 | G11-L15 WeakPolarHBondContact O-CB 3.33Å; G11-L15 PolarHBondContact O-N 3.25Å; S12-L15 PolarHBondContact O-N 3.43Å; L15-G18 PolarHBondContact O-N 3.14Å; L15-L19 HydrophobicContact CD1-CD1 4.49Å; L15-L19 HydrophobicContact CG-CD1 4.1Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3Å; L15-I188 HydrophobicContact CD1-CB 4.48Å; L15-I188 HydrophobicContact CD1-CG2 3.79Å; L15-F195 HydrophobicContact CD2-CE2 4.46Å |
| 16 | L | 96.2 | Very high | 93.7 | Very high | 110 Ų | 110 | 36.7 Ų | 36.7 | 58% | 0.576 | 22% | 0.216 | S | C | * | . | H | α-helix | trans | -62.9 | -46.1 | 176.2 | -72.4 | 171.3 | 0 | 0 | 0 | 111.8 | S12 C13 L19 C20 | S12-L16 VanDerWaalsContact O-CB 3.32Å; S12-L16 WeakPolarHBondContact O-CB 3.45Å; S12-L16 VanDerWaalsContact O-CG 3.23Å; S12-L16 WeakPolarHBondContact O-CG 3.26Å; S12-L16 PolarHBondContact O-N 2.97Å; C13-L16 PolarHBondContact O-N 3.36Å; L16-L19 PolarHBondContact O-N 2.91Å; L16-C20 WeakPolarHBondContact O-CB 3.41Å; L16-C20 PolarHBondContact O-N 2.92Å; L16-C20 PolarHBondContact O-SG 3.41Å |
| 17 | L | 95.2 | Very high | 93.9 | Very high | 46 Ų | 46 | 37.1 Ų | 37.1 | 24% | 0.241 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -60.5 | -47.5 | 176.3 | -75.2 | 172.5 | 0 | 0 | 0 | 111.6 | C13 F14 L19 C20 W21 | C13-L17 WeakPolarHBondContact O-CB 3.25Å; C13-L17 VanDerWaalsContact O-CG 3.31Å; C13-L17 WeakPolarHBondContact O-CG 3.4Å; C13-L17 PolarHBondContact O-N 3.45Å; F14-L17 PolarHBondContact O-N 3.27Å; L17-L19 PolarHBondContact O-N 3.45Å; L17-C20 PolarHBondContact O-N 3.37Å; L17-W21 WeakPolarHBondContact O-CB 3.38Å; L17-W21 PolarHBondContact O-N 3.08Å |
| 18 | G | 96.8 | Very high | 93.8 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59.7 | -45.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | F14 L15 W21 S22 V184 | F14-G18 PolarHBondContact O-N 3.45Å; L15-G18 PolarHBondContact O-N 3.14Å; G18-W21 PolarHBondContact O-N 3.41Å; G18-S22 WeakPolarHBondContact O-CB 3.32Å; G18-S22 PolarHBondContact O-N 3.24Å; G18-V184 VanDerWaalsContact O-CG1 3.29Å; G18-V184 WeakPolarHBondContact O-CG1 3.49Å |
| 19 | L | 96.9 | Very high | 93.7 | Very high | 63 Ų | 63 | 37.9 Ų | 37.9 | 33% | 0.33 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -63.7 | -44.8 | 176.5 | -71.5 | 172.4 | 0 | 0 | 0 | 111.9 | L15 L16 L17 W21 S22 V23 I188 I234 | L15-L19 HydrophobicContact CD1-CD1 4.49Å; L15-L19 HydrophobicContact CG-CD1 4.1Å; L15-L19 WeakPolarHBondContact O-CB 3.4Å; L15-L19 WeakPolarHBondContact O-CG 3.31Å; L15-L19 PolarHBondContact O-N 3Å; L16-L19 PolarHBondContact O-N 2.91Å; L17-L19 PolarHBondContact O-N 3.45Å; L19-W21 PolarHBondContact O-N 2.92Å; L19-S22 PolarHBondContact O-N 3.33Å; L19-S22 PolarHBondContact O-OG 3.33Å; L19-V23 PolarHBondContact O-N 3.25Å; L19-I188 HydrophobicContact CD2-CD1 4.21Å; L19-I234 HydrophobicContact CD2-CG2 3.87Å |
| 20 | C | 95.5 | Very high | 93.5 | Very high | 70 Ų | 70 | 32.9 Ų | 32.9 | 47% | 0.473 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.9 | -48.9 | 174.7 | -74.1 | 0 | 0 | 0 | 0 | 111.5 | L16 L17 S22 V23 M24 | L16-C20 WeakPolarHBondContact O-CB 3.41Å; L16-C20 PolarHBondContact O-N 2.92Å; L16-C20 PolarHBondContact O-SG 3.41Å; L17-C20 PolarHBondContact O-N 3.37Å; C20-S22 VanDerWaalsContact C-N 3.3Å; C20-S22 PolarHBondContact O-N 3.39Å; C20-V23 PolarHBondContact O-N 3.23Å; C20-M24 WeakPolarHBondContact O-CB 3.29Å; C20-M24 VanDerWaalsContact O-CG 3.32Å; C20-M24 WeakPolarHBondContact O-CG 3.39Å; C20-M24 PolarHBondContact O-N 2.96Å |
| 21 | W | 95.8 | Very high | 93.3 | Very high | 3 Ų | 3 | 36.1 Ų | 36.1 | 1% | 0.011 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -63.4 | -35.2 | 178.1 | -69 | -12.9 | 0 | 0 | 0 | 113.1 | L17 G18 L19 V23 M24 Y25 E53 W105 L127 V184 T187 | L17-W21 WeakPolarHBondContact O-CB 3.38Å; L17-W21 PolarHBondContact O-N 3.08Å; G18-W21 PolarHBondContact O-N 3.41Å; L19-W21 PolarHBondContact O-N 2.92Å; W21-V23 PolarHBondContact O-N 3.46Å; W21-M24 PolarHBondContact O-N 3.34Å; W21-Y25 HydrophobicContact CB-CD2 3.97Å; W21-Y25 HydrophobicContact CB-CE2 3.58Å; W21-Y25 AromaticContact CD1-CZ 3.93Å; W21-Y25 HydrophobicContact CD2-CE2 4.1Å; W21-Y25 HydrophobicContact CE3-CE2 4.5Å; W21-Y25 AromaticContact CG-CE2 3.72Å; W21-Y25 HydrophobicContact CG-CE2 3.72Å; W21-Y25 AromaticContact CG-CZ 3.79Å; W21-Y25 PolarHBondContact O-N 2.97Å; W21-E53 WeakPolarHBondContact CZ2-OE1 3.34Å; W21-E53 PolarHBondContact NE1-OE1 2.94Å; W21-W105 HydrophobicContact CH2-CH2 4.05Å; W21-W105 HydrophobicContact CH2-CZ2 4.36Å; W21-W105 AromaticContact CZ2-CH2 3.68Å; W21-W105 HydrophobicContact CZ2-CH2 3.68Å; W21-W105 AromaticContact CZ2-CZ2 3.98Å; W21-W105 HydrophobicContact CZ2-CZ2 3.98Å; W21-L127 HydrophobicContact CH2-CD2 4.09Å; W21-V184 HydrophobicContact CB-CG1 4.33Å; W21-V184 HydrophobicContact CB-CG2 3.56Å; W21-V184 HydrophobicContact CE3-CG2 4.39Å; W21-T187 HydrophobicContact CE3-CG2 4.43Å; W21-T187 HydrophobicContact CZ3-CG2 4.1Å |
| 22 | S | 96.5 | Very high | 92.8 | Very high | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -62.1 | -24.9 | 178 | 78.5 | 0 | 0 | 0 | 0 | 113.6 | G18 L19 C20 P26 N238 | G18-S22 WeakPolarHBondContact O-CB 3.32Å; G18-S22 PolarHBondContact O-N 3.24Å; L19-S22 PolarHBondContact O-N 3.33Å; L19-S22 PolarHBondContact O-OG 3.33Å; C20-S22 VanDerWaalsContact C-N 3.3Å; C20-S22 PolarHBondContact O-N 3.39Å; S22-P26 WeakPolarHBondContact O-CD 3.49Å; S22-P26 WeakPolarHBondContact O-CG 3.45Å; S22-N238 VanDerWaalsContact O-CB 3.25Å; S22-N238 WeakPolarHBondContact O-CB 3.41Å; S22-N238 PolarHBondContact OG-ND2 3.28Å |
| 23 | V | 94.2 | Very high | 92.2 | Very high | 63 Ų | 63 | 46.8 Ų | 46.8 | 38% | 0.382 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -91.5 | -45.1 | 174 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | L19 C20 W21 L27 N238 | L19-V23 PolarHBondContact O-N 3.25Å; C20-V23 PolarHBondContact O-N 3.23Å; W21-V23 PolarHBondContact O-N 3.46Å; V23-L27 HydrophobicContact CG1-CD1 3.71Å; V23-L27 WeakPolarHBondContact O-CB 3.36Å; V23-L27 WeakPolarHBondContact O-CD1 3.37Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.48Å; V23-L27 PolarHBondContact O-N 2.92Å; V23-N238 HydrophobicContact CG2-CB 4.42Å |
| 24 | M | 91.6 | Very high | 91.5 | Very high | 24 Ų | 24 | 50.4 Ų | 50.4 | 12% | 0.118 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -67 | -46.2 | -172.4 | -72.7 | -171.8 | 73 | 0 | 0 | 113.8 | C20 W21 L27 R28 F46 I49 | C20-M24 WeakPolarHBondContact O-CB 3.29Å; C20-M24 VanDerWaalsContact O-CG 3.32Å; C20-M24 WeakPolarHBondContact O-CG 3.39Å; C20-M24 PolarHBondContact O-N 2.96Å; W21-M24 PolarHBondContact O-N 3.34Å; M24-L27 PolarHBondContact O-N 3.13Å; M24-R28 WeakPolarHBondContact O-CB 3.45Å; M24-R28 WeakPolarHBondContact O-CG 3.48Å; M24-R28 PolarHBondContact O-N 3.27Å; M24-F46 HydrophobicContact CE-CD1 4.36Å; M24-I49 HydrophobicContact CE-CB 3.71Å; M24-I49 HydrophobicContact CE-CD1 3.81Å; M24-I49 HydrophobicContact CE-CG1 4.38Å; M24-I49 HydrophobicContact CE-CG2 3.31Å; M24-I49 HydrophobicContact SD-CG2 3.71Å |
| 25 | Y | 91.3 | Very high | 90.4 | Very high | 25 Ų | 25 | 52.5 Ų | 52.5 | 10% | 0.098 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -69.3 | -44.2 | -175.1 | -60.5 | -31.1 | 0 | 0 | 0 | 113.2 | W21 L27 R28 H29 E180 R183 V184 | W21-Y25 HydrophobicContact CB-CD2 3.97Å; W21-Y25 HydrophobicContact CB-CE2 3.58Å; W21-Y25 AromaticContact CD1-CZ 3.93Å; W21-Y25 HydrophobicContact CD2-CE2 4.1Å; W21-Y25 HydrophobicContact CE3-CE2 4.5Å; W21-Y25 AromaticContact CG-CE2 3.72Å; W21-Y25 HydrophobicContact CG-CE2 3.72Å; W21-Y25 AromaticContact CG-CZ 3.79Å; W21-Y25 PolarHBondContact O-N 2.97Å; Y25-L27 VanDerWaalsContact C-N 3.33Å; Y25-L27 PolarHBondContact O-N 3.33Å; Y25-R28 PolarHBondContact O-N 3.36Å; Y25-H29 WeakPolarHBondContact O-CB 3.25Å; Y25-H29 PolarHBondContact O-N 3.36Å; Y25-E180 HydrophobicContact CD2-CB 4.41Å; Y25-R183 VanDerWaalsContact CZ-NH2 3.28Å; Y25-R183 PolarHBondContact OH-NH1 3.35Å; Y25-R183 VanDerWaalsContact OH-NH1 3.1Å; Y25-R183 PolarHBondContact OH-NH2 3.4Å; Y25-V184 HydrophobicContact CD2-CG2 3.51Å; Y25-V184 HydrophobicContact CE2-CG2 3.62Å |
| 26 | P | 91.9 | Very high | 89 | Confident | 1 Ų | 1 | 54.6 Ų | 54.6 | 1% | 0.006 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.5 | -41.1 | 173.2 | -25.5 | 35.8 | 0 | 0 | 0 | 113.3 | S22 H29 C30 L181 Y239 | S22-P26 WeakPolarHBondContact O-CD 3.49Å; S22-P26 WeakPolarHBondContact O-CG 3.45Å; P26-H29 PolarHBondContact O-N 2.83Å; P26-C30 WeakPolarHBondContact O-CB 3.42Å; P26-C30 PolarHBondContact O-N 2.92Å; P26-C30 PolarHBondContact O-SG 3.31Å; P26-L181 HydrophobicContact CG-CD2 3.9Å; P26-Y239 HydrophobicContact CB-CD2 3.72Å; P26-Y239 HydrophobicContact CB-CG 4.23Å; P26-Y239 HydrophobicContact CG-CD2 4.1Å |
| 27 | L | 90.1 | Very high | 87.2 | Confident | 46 Ų | 46 | 59.7 Ų | 59.7 | 24% | 0.241 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -60.2 | -47 | 175.8 | -76.7 | 172.5 | 0 | 0 | 0 | 111.5 | V23 M24 Y25 H29 C30 W31 C245 V246 | V23-L27 HydrophobicContact CG1-CD1 3.71Å; V23-L27 WeakPolarHBondContact O-CB 3.36Å; V23-L27 WeakPolarHBondContact O-CD1 3.37Å; V23-L27 VanDerWaalsContact O-CG 3.27Å; V23-L27 WeakPolarHBondContact O-CG 3.48Å; V23-L27 PolarHBondContact O-N 2.92Å; M24-L27 PolarHBondContact O-N 3.13Å; Y25-L27 VanDerWaalsContact C-N 3.33Å; Y25-L27 PolarHBondContact O-N 3.33Å; L27-H29 VanDerWaalsContact C-N 3.33Å; L27-H29 PolarHBondContact O-N 3.49Å; L27-C30 PolarHBondContact O-N 2.86Å; L27-W31 VanDerWaalsContact O-CB 3.23Å; L27-W31 WeakPolarHBondContact O-CB 3.44Å; L27-W31 PolarHBondContact O-N 3.35Å; L27-C245 HydrophobicContact CD2-CB 4.39Å; L27-V246 HydrophobicContact CD2-CG2 4.4Å |
| 28 | R | 89.1 | Confident | 85.3 | Confident | 20 Ų | 20 | 61.1 Ų | 61.1 | 8% | 0.075 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -43.2 | 175.5 | -74.4 | 179.1 | -174.5 | -176.1 | 3.7 | 111.6 | M24 Y25 R32 L42 F46 D50 | M24-R28 WeakPolarHBondContact O-CB 3.45Å; M24-R28 WeakPolarHBondContact O-CG 3.48Å; M24-R28 PolarHBondContact O-N 3.27Å; Y25-R28 PolarHBondContact O-N 3.36Å; R28-R32 WeakPolarHBondContact O-CB 3.45Å; R28-R32 VanDerWaalsContact O-CG 3.29Å; R28-R32 WeakPolarHBondContact O-CG 3.27Å; R28-R32 PolarHBondContact O-N 3.29Å; R28-L42 HydrophobicContact CG-CD1 4.4Å; R28-F46 HydrophobicContact CG-CD1 3.67Å; R28-F46 HydrophobicContact CG-CD2 4.13Å; R28-F46 HydrophobicContact CG-CE1 3.64Å; R28-F46 HydrophobicContact CG-CE2 4.11Å; R28-F46 HydrophobicContact CG-CG 3.91Å; R28-F46 HydrophobicContact CG-CZ 3.86Å; R28-F46 VanDerWaalsContact NE-CD1 3.28Å; R28-F46 PolarHBondContact NH2-O 3.31Å; R28-F46 VanDerWaalsContact NH2-O 3.12Å; R28-D50 IonicContact CZ-OD1 3.55Å; R28-D50 VanDerWaalsContact CZ-OD1 3.28Å; R28-D50 IonicContact CZ-OD2 3.57Å; R28-D50 IonicContact NH1-OD1 2.7Å; R28-D50 PolarHBondContact NH1-OD1 3.49Å; R28-D50 IonicContact NH1-OD2 2.73Å; R28-D50 PolarHBondContact NH1-OD2 3.49Å; R28-D50 IonicContact NH2-OD1 2.69Å; R28-D50 PolarHBondContact NH2-OD1 3.38Å; R28-D50 IonicContact NH2-OD2 3.71Å; R28-D50 PolarHBondContact NH2-OD2 3.41Å |
| 29 | H | 89.2 | Confident | 83.3 | Confident | 26 Ų | 26 | 70.4 Ų | 70.4 | 12% | 0.12 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -63.8 | -51.1 | 179 | 180 | 79.7 | 0 | 0 | 0 | 111.7 | Y25 P26 L27 W31 R32 R33 I177 | Y25-H29 WeakPolarHBondContact O-CB 3.25Å; Y25-H29 PolarHBondContact O-N 3.36Å; P26-H29 PolarHBondContact O-N 2.83Å; L27-H29 VanDerWaalsContact C-N 3.33Å; L27-H29 PolarHBondContact O-N 3.49Å; H29-W31 VanDerWaalsContact C-N 3.31Å; H29-W31 PolarHBondContact O-N 3.2Å; H29-R32 PolarHBondContact O-N 3.36Å; H29-R33 PolarHBondContact O-N 3.02Å; H29-I177 HydrophobicContact CB-CD1 3.72Å; H29-I177 HydrophobicContact CB-CG1 4.23Å |
| 30 | C | 88.1 | Confident | 81.5 | Confident | 2 Ų | 2 | 75.1 Ų | 75.1 | 1% | 0.014 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.5 | -40.9 | 179.2 | -64.5 | 0 | 0 | 0 | 0 | 111.5 | P26 L27 R34 W243 V246 | P26-C30 WeakPolarHBondContact O-CB 3.42Å; P26-C30 PolarHBondContact O-N 2.92Å; P26-C30 PolarHBondContact O-SG 3.31Å; L27-C30 PolarHBondContact O-N 2.86Å; C30-R34 PolarHBondContact O-N 2.87Å; C30-W243 HydrophobicContact CB-CE3 4.32Å; C30-V246 HydrophobicContact CB-CB 4.18Å; C30-V246 HydrophobicContact CB-CG1 4.45Å; C30-V246 HydrophobicContact CB-CG2 3.91Å |
| 31 | W | 85.3 | Confident | 79.9 | Confident | 98 Ų | 98 | 80.2 Ų | 80.2 | 37% | 0.371 | 37% | 0.372 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 175.1 | -171.4 | -79.3 | 0 | 0 | 0 | 111.9 | L27 H29 R33 R34 Q35 P43 | L27-W31 VanDerWaalsContact O-CB 3.23Å; L27-W31 WeakPolarHBondContact O-CB 3.44Å; L27-W31 PolarHBondContact O-N 3.35Å; H29-W31 VanDerWaalsContact C-N 3.31Å; H29-W31 PolarHBondContact O-N 3.2Å; W31-R33 PolarHBondContact O-N 2.94Å; W31-R34 PolarHBondContact O-N 3.49Å; W31-R34 VanDerWaalsContact O-N 3.14Å; W31-Q35 VanDerWaalsContact NE1-NE2 3.12Å; W31-Q35 PolarHBondContact O-N 3.47Å; W31-P43 HydrophobicContact CD2-CG 4.31Å; W31-P43 HydrophobicContact CZ2-CG 3.9Å |
| 32 | R | 83.7 | Confident | 78.5 | Confident | 87 Ų | 87 | 82.5 Ų | 82.5 | 33% | 0.328 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -60.1 | -43.2 | 178.5 | -79.3 | -173 | -76.3 | 172.4 | -1.1 | 112 | R28 H29 R34 Q35 L42 D175 | R28-R32 WeakPolarHBondContact O-CB 3.45Å; R28-R32 VanDerWaalsContact O-CG 3.29Å; R28-R32 WeakPolarHBondContact O-CG 3.27Å; R28-R32 PolarHBondContact O-N 3.29Å; H29-R32 PolarHBondContact O-N 3.36Å; R32-R34 PolarHBondContact O-N 3.34Å; R32-Q35 PolarHBondContact O-N 3.06Å; R32-L42 HydrophobicContact CG-CD1 4.33Å; R32-D175 IonicContact CZ-OD1 3.52Å; R32-D175 IonicContact NH1-OD1 3.77Å; R32-D175 PolarHBondContact NH1-OD1 3.39Å; R32-D175 IonicContact NH2-OD1 3.92Å |
| 33 | R | 82.9 | Confident | 77.3 | Confident | 182 Ų | 182 | 84.1 Ų | 84.1 | 69% | 0.687 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -60.5 | -26.3 | 177.1 | -108.7 | -166.7 | 173.6 | -157.4 | 0.1 | 113.5 | H29 W31 | H29-R33 PolarHBondContact O-N 3.02Å; W31-R33 PolarHBondContact O-N 2.94Å |
| 34 | R | 78.4 | Confident | 76.4 | Confident | 129 Ų | 129 | 87.6 Ų | 87.6 | 49% | 0.487 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -88.4 | -23.2 | -177.2 | -165.7 | 173 | -174 | 127.9 | 12.7 | 113.8 | C30 W31 R32 V246 A250 | C30-R34 PolarHBondContact O-N 2.87Å; W31-R34 PolarHBondContact O-N 3.49Å; W31-R34 VanDerWaalsContact O-N 3.14Å; R32-R34 PolarHBondContact O-N 3.34Å; R34-V246 HydrophobicContact CB-CG1 4.43Å; R34-V246 PolarHBondContact NH1-O 2.88Å; R34-V246 VanDerWaalsContact NH1-O 3.13Å; R34-A250 VanDerWaalsContact NH1-CB 3.32Å |
| 35 | Q | 72.9 | Confident | 75.9 | Confident | 63 Ų | 63 | 92.9 Ų | 92.9 | 29% | 0.294 | 43% | 0.432 | S | S | . | . | S | Bend | trans | -65.8 | 136.7 | 179.9 | -70.8 | -68.8 | -19.9 | 0 | 0 | 110.6 | W31 R32 K37 | W31-Q35 VanDerWaalsContact NE1-NE2 3.12Å; W31-Q35 PolarHBondContact O-N 3.47Å; R32-Q35 PolarHBondContact O-N 3.06Å; Q35-K37 PolarHBondContact O-N 3.12Å |
| 36 | P | 68 | Low | 75.5 | Confident | 89 Ų | 89 | 92.6 Ų | 92.6 | 58% | 0.578 | 43% | 0.432 | S | S | * | . | trans | -58.8 | 139.6 | 175.1 | 22.6 | -30.4 | 0 | 0 | 0 | 110 | G38 R39 | P36-G38 PolarHBondContact O-N 3.14Å; P36-R39 PolarHBondContact O-N 3.34Å; P36-R39 VanDerWaalsContact O-N 3.14Å | ||
| 37 | K | 57.6 | Low | 75.1 | Confident | 217 Ų | 217 | 95.8 Ų | 95.8 | 94% | 0.943 | 45% | 0.449 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.1 | 106.8 | 180 | -66.3 | -175.2 | -175.9 | -178.2 | 0 | 108.7 | Q35 | Q35-K37 PolarHBondContact O-N 3.12Š|
| 38 | G | 55.6 | Low | 75 | Confident | 76 Ų | 76 | 102 Ų | 102 | 78% | 0.784 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 130.1 | -16.5 | -178.8 | 0 | 0 | 0 | 0 | 0 | 115.9 | P36 | P36-G38 PolarHBondContact O-N 3.14Š|
| 39 | R | 53.9 | Low | 75 | Confident | 194 Ų | 194 | 103.2 Ų | 103.2 | 73% | 0.732 | 48% | 0.476 | S | S | * | . | trans | -123 | 53.2 | 178.5 | -125.9 | 177 | -171.7 | 175 | 1.3 | 112.6 | P36 K41 | P36-R39 PolarHBondContact O-N 3.34Å; P36-R39 VanDerWaalsContact O-N 3.14Å; R39-K41 PolarHBondContact O-N 3.21Å | ||
| 40 | Q | 60.1 | Low | 75 | Confident | 163 Ų | 163 | 103 Ų | 103 | 76% | 0.762 | 48% | 0.476 | S | S | * | . | trans | -75.9 | 46.8 | 178.8 | -61.6 | -177.3 | 1 | 0 | 0 | 113.1 | L42 | Q40-L42 PolarHBondContact O-N 3.45Š| ||
| 41 | K | 61 | Low | 75.2 | Confident | 177 Ų | 177 | 106.8 Ų | 106.8 | 77% | 0.77 | 50% | 0.496 | S | S | * | . | trans | -80.1 | 109.3 | 170.6 | -71.7 | -168.2 | 178.7 | -173.5 | 0 | 108.2 | R39 | R39-K41 PolarHBondContact O-N 3.21Š| ||
| 42 | L | 66.3 | Low | 75.6 | Confident | 51 Ų | 51 | 107.7 Ų | 107.7 | 27% | 0.267 | 51% | 0.507 | S | S | . | . | trans | -60.5 | 132.2 | 170.1 | -163.2 | 70.5 | 0 | 0 | 0 | 108 | R28 R32 Q40 L44 F46 | R28-L42 HydrophobicContact CG-CD1 4.4Å; R32-L42 HydrophobicContact CG-CD1 4.33Å; Q40-L42 PolarHBondContact O-N 3.45Å; L42-L44 PolarHBondContact O-N 3.32Å; L42-F46 HydrophobicContact CD1-CD2 3.91Å; L42-F46 HydrophobicContact CD1-CE2 4.5Å; L42-F46 HydrophobicContact CD2-CB 3.71Å; L42-F46 HydrophobicContact CD2-CD2 4.49Å; L42-F46 HydrophobicContact CD2-CG 4.43Å; L42-F46 HydrophobicContact CG-CB 3.92Å; L42-F46 HydrophobicContact CG-CD2 3.89Å; L42-F46 HydrophobicContact CG-CG 4.3Å | ||
| 43 | P | 71.9 | Confident | 76.1 | Confident | 34 Ų | 34 | 104.5 Ų | 104.5 | 22% | 0.221 | 50% | 0.496 | C | S | . | . | trans | -49.9 | 134.6 | 177.1 | -29.9 | 31.9 | 0 | 0 | 0 | 112 | W31 F45 F46 | W31-P43 HydrophobicContact CD2-CG 4.31Å; W31-P43 HydrophobicContact CZ2-CG 3.9Å; P43-F45 PolarHBondContact O-N 3.32Å; P43-F46 HydrophobicContact CB-CD2 3.85Å; P43-F46 HydrophobicContact CB-CE2 4.22Å; P43-F46 HydrophobicContact CG-CD2 3.82Å; P43-F46 HydrophobicContact CG-CE2 3.83Å; P43-F46 PolarHBondContact O-N 2.89Å | ||
| 44 | L | 75.3 | Confident | 76.6 | Confident | 135 Ų | 135 | 95.8 Ų | 95.8 | 71% | 0.707 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -51 | -29 | 178.1 | -72.3 | 168.5 | 0 | 0 | 0 | 112.7 | L42 F46 N47 R48 | L42-L44 PolarHBondContact O-N 3.32Å; L44-F46 PolarHBondContact O-N 3.39Å; L44-N47 PolarHBondContact O-N 2.88Å; L44-R48 WeakPolarHBondContact O-CG 3.23Å; L44-R48 PolarHBondContact O-N 3.41Å |
| 45 | F | 80.7 | Confident | 77.5 | Confident | 135 Ų | 135 | 92.1 Ų | 92.1 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -56.9 | -44 | 174.2 | 179 | -107.3 | 0 | 0 | 0 | 113.3 | P43 N47 R48 I49 | P43-F45 PolarHBondContact O-N 3.32Å; F45-N47 PolarHBondContact O-N 3.47Å; F45-R48 PolarHBondContact O-N 3.14Å; F45-I49 HydrophobicContact CD1-CD1 3.82Å; F45-I49 HydrophobicContact CE1-CD1 3.26Å; F45-I49 HydrophobicContact CE1-CG1 4.37Å; F45-I49 HydrophobicContact CE2-CD1 4.05Å; F45-I49 HydrophobicContact CE2-CG1 4.43Å; F45-I49 HydrophobicContact CG-CD1 4.44Å; F45-I49 HydrophobicContact CZ-CD1 3.41Å; F45-I49 VanDerWaalsContact CZ-CD1 3.41Å; F45-I49 HydrophobicContact CZ-CG1 4.24Å; F45-I49 WeakPolarHBondContact O-CG1 3.45Å; F45-I49 PolarHBondContact O-N 2.91Å |
| 46 | F | 83.4 | Confident | 78.6 | Confident | 19 Ų | 19 | 93.4 Ų | 93.4 | 8% | 0.083 | 47% | 0.468 | C | S | . | . | H | α-helix | trans | -67.3 | -38.9 | -180 | -70.8 | -59.3 | 0 | 0 | 0 | 112 | M24 R28 L42 P43 L44 R48 I49 D50 | M24-F46 HydrophobicContact CE-CD1 4.36Å; R28-F46 HydrophobicContact CG-CD1 3.67Å; R28-F46 HydrophobicContact CG-CD2 4.13Å; R28-F46 HydrophobicContact CG-CE1 3.64Å; R28-F46 HydrophobicContact CG-CE2 4.11Å; R28-F46 HydrophobicContact CG-CG 3.91Å; R28-F46 HydrophobicContact CG-CZ 3.86Å; R28-F46 VanDerWaalsContact NE-CD1 3.28Å; R28-F46 PolarHBondContact NH2-O 3.31Å; R28-F46 VanDerWaalsContact NH2-O 3.12Å; L42-F46 HydrophobicContact CD1-CD2 3.91Å; L42-F46 HydrophobicContact CD1-CE2 4.5Å; L42-F46 HydrophobicContact CD2-CB 3.71Å; L42-F46 HydrophobicContact CD2-CD2 4.49Å; L42-F46 HydrophobicContact CD2-CG 4.43Å; L42-F46 HydrophobicContact CG-CB 3.92Å; L42-F46 HydrophobicContact CG-CD2 3.89Å; L42-F46 HydrophobicContact CG-CG 4.3Å; P43-F46 HydrophobicContact CB-CD2 3.85Å; P43-F46 HydrophobicContact CB-CE2 4.22Å; P43-F46 HydrophobicContact CG-CD2 3.82Å; P43-F46 HydrophobicContact CG-CE2 3.83Å; P43-F46 PolarHBondContact O-N 2.89Å; L44-F46 PolarHBondContact O-N 3.39Å; F46-R48 VanDerWaalsContact C-N 3.33Å; F46-R48 PolarHBondContact O-N 2.89Å; F46-I49 PolarHBondContact O-N 3.06Å; F46-D50 PolarHBondContact O-N 3.46Å |
| 47 | N | 83.6 | Confident | 79.9 | Confident | 69 Ų | 69 | 89.9 Ų | 89.9 | 37% | 0.369 | 44% | 0.444 | S | S | . | . | H | α-helix | trans | -63.9 | -39.6 | 174.8 | -66.4 | 2.5 | 0 | 0 | 0 | 111.3 | L44 F45 D50 L51 M113 | L44-N47 PolarHBondContact O-N 2.88Å; F45-N47 PolarHBondContact O-N 3.47Å; N47-D50 PolarHBondContact O-N 3.42Å; N47-L51 WeakPolarHBondContact O-CB 3.35Å; N47-L51 PolarHBondContact O-N 3.47Å; N47-M113 VanDerWaalsContact O-SD 3.42Å |
| 48 | R | 87.6 | Confident | 81.8 | Confident | 176 Ų | 176 | 82.3 Ų | 82.3 | 66% | 0.664 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -63 | -41.8 | 175.5 | -73.7 | -174.9 | -177.3 | -166.5 | 1.2 | 112.1 | L44 F45 F46 L51 I52 | L44-R48 WeakPolarHBondContact O-CG 3.23Å; L44-R48 PolarHBondContact O-N 3.41Å; F45-R48 PolarHBondContact O-N 3.14Å; F46-R48 VanDerWaalsContact C-N 3.33Å; F46-R48 PolarHBondContact O-N 2.89Å; R48-L51 PolarHBondContact O-N 2.96Å; R48-I52 VanDerWaalsContact O-CG1 3.27Å; R48-I52 WeakPolarHBondContact O-CG1 3.2Å; R48-I52 PolarHBondContact O-N 3.4Å |
| 49 | I | 89.3 | Confident | 83.8 | Confident | 45 Ų | 45 | 84.6 Ų | 84.6 | 23% | 0.231 | 40% | 0.402 | C | S | . | . | H | α-helix | trans | -65.3 | -45.1 | 176.8 | -62.8 | 168.3 | 0 | 0 | 0 | 110.7 | M24 F45 F46 L51 I52 E53 | M24-I49 HydrophobicContact CE-CB 3.71Å; M24-I49 HydrophobicContact CE-CD1 3.81Å; M24-I49 HydrophobicContact CE-CG1 4.38Å; M24-I49 HydrophobicContact CE-CG2 3.31Å; M24-I49 HydrophobicContact SD-CG2 3.71Å; F45-I49 HydrophobicContact CD1-CD1 3.82Å; F45-I49 HydrophobicContact CE1-CD1 3.26Å; F45-I49 HydrophobicContact CE1-CG1 4.37Å; F45-I49 HydrophobicContact CE2-CD1 4.05Å; F45-I49 HydrophobicContact CE2-CG1 4.43Å; F45-I49 HydrophobicContact CG-CD1 4.44Å; F45-I49 HydrophobicContact CZ-CD1 3.41Å; F45-I49 VanDerWaalsContact CZ-CD1 3.41Å; F45-I49 HydrophobicContact CZ-CG1 4.24Å; F45-I49 WeakPolarHBondContact O-CG1 3.45Å; F45-I49 PolarHBondContact O-N 2.91Å; F46-I49 PolarHBondContact O-N 3.06Å; I49-L51 PolarHBondContact O-N 2.92Å; I49-I52 PolarHBondContact O-N 3.4Å; I49-E53 VanDerWaalsContact O-CB 3.31Å; I49-E53 WeakPolarHBondContact O-CB 3.4Å; I49-E53 PolarHBondContact O-N 2.96Å |
| 50 | D | 89.6 | Confident | 85.8 | Confident | 22 Ų | 22 | 79.4 Ų | 79.4 | 12% | 0.118 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -58.3 | -39 | 178 | -73.5 | -27.8 | 0 | 0 | 0 | 111.1 | R28 F46 N47 E53 G54 K109 M113 | R28-D50 IonicContact CZ-OD1 3.55Å; R28-D50 VanDerWaalsContact CZ-OD1 3.28Å; R28-D50 IonicContact CZ-OD2 3.57Å; R28-D50 IonicContact NH1-OD1 2.7Å; R28-D50 PolarHBondContact NH1-OD1 3.49Å; R28-D50 IonicContact NH1-OD2 2.73Å; R28-D50 PolarHBondContact NH1-OD2 3.49Å; R28-D50 IonicContact NH2-OD1 2.69Å; R28-D50 PolarHBondContact NH2-OD1 3.38Å; R28-D50 IonicContact NH2-OD2 3.71Å; R28-D50 PolarHBondContact NH2-OD2 3.41Å; F46-D50 PolarHBondContact O-N 3.46Å; N47-D50 PolarHBondContact O-N 3.42Å; D50-E53 PolarHBondContact O-N 3.47Å; D50-G54 PolarHBondContact O-N 3.4Å; D50-K109 WeakPolarHBondContact O-CE 3.38Å; D50-K109 IonicContact OD1-NZ 2.83Å; D50-M113 HydrophobicContact CB-CE 3.75Å; D50-M113 HydrophobicContact CB-SD 3.46Å; D50-M113 WeakPolarHBondContact CB-SD 3.49Å; D50-M113 WeakPolarHBondContact O-CE 3.29Å |
| 51 | L | 92.1 | Very high | 87.5 | Confident | 82 Ų | 82 | 72 Ų | 72 | 43% | 0.429 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -66.2 | -47.1 | 177.7 | -176.8 | 67.6 | 0 | 0 | 0 | 111.9 | N47 R48 I49 E53 G54 A55 V110 M113 | N47-L51 WeakPolarHBondContact O-CB 3.35Å; N47-L51 PolarHBondContact O-N 3.47Å; R48-L51 PolarHBondContact O-N 2.96Å; I49-L51 PolarHBondContact O-N 2.92Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 2.84Å; L51-G54 PolarHBondContact O-N 3.41Å; L51-A55 WeakPolarHBondContact O-CB 3.32Å; L51-A55 PolarHBondContact O-N 2.85Å; L51-V110 HydrophobicContact CD1-CG1 3.92Å; L51-V110 HydrophobicContact CD1-CG2 4.28Å; L51-M113 HydrophobicContact CB-CE 4.35Å; L51-M113 HydrophobicContact CB-SD 3.83Å; L51-M113 PolarHBondContact N-SD 3.44Å |
| 52 | I | 93.3 | Very high | 89.2 | Confident | 117 Ų | 117 | 69.4 Ų | 69.4 | 60% | 0.6 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -61.6 | -43.1 | 176.9 | -68.8 | 164.9 | 0 | 0 | 0 | 110.2 | R48 I49 A55 L56 | R48-I52 VanDerWaalsContact O-CG1 3.27Å; R48-I52 WeakPolarHBondContact O-CG1 3.2Å; R48-I52 PolarHBondContact O-N 3.4Å; I49-I52 PolarHBondContact O-N 3.4Å; I52-A55 PolarHBondContact O-N 3.31Å; I52-L56 VanDerWaalsContact O-CB 3.26Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 PolarHBondContact O-N 3.45Å |
| 53 | E | 93.9 | Very high | 90.6 | Very high | 19 Ų | 19 | 69.9 Ų | 69.9 | 9% | 0.089 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61 | -49.9 | 177.3 | -167.5 | -167 | 147.9 | 0 | 0 | 110.6 | W21 I49 D50 L51 A55 L56 I57 K109 | W21-E53 WeakPolarHBondContact CZ2-OE1 3.34Å; W21-E53 PolarHBondContact NE1-OE1 2.94Å; I49-E53 VanDerWaalsContact O-CB 3.31Å; I49-E53 WeakPolarHBondContact O-CB 3.4Å; I49-E53 PolarHBondContact O-N 2.96Å; D50-E53 PolarHBondContact O-N 3.47Å; L51-E53 VanDerWaalsContact C-N 3.31Å; L51-E53 PolarHBondContact O-N 2.84Å; E53-A55 PolarHBondContact O-N 2.84Å; E53-L56 PolarHBondContact O-N 3.27Å; E53-I57 HydrophobicContact CG-CD1 3.97Å; E53-I57 VanDerWaalsContact O-CD1 3.25Å; E53-I57 WeakPolarHBondContact O-CD1 3.32Å; E53-I57 VanDerWaalsContact O-CG1 3.23Å; E53-I57 WeakPolarHBondContact O-CG1 3.17Å; E53-I57 PolarHBondContact O-N 2.94Å; E53-K109 IonicContact OE1-NZ 3.86Å; E53-K109 PolarHBondContact OE1-NZ 2.94Å; E53-K109 IonicContact OE2-NZ 3.09Å; E53-K109 PolarHBondContact OE2-NZ 3.25Å |
| 54 | G | 95.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -57.7 | -45.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | D50 L51 I57 I58 | D50-G54 PolarHBondContact O-N 3.4Å; L51-G54 PolarHBondContact O-N 3.41Å; G54-I57 PolarHBondContact O-N 2.87Å; G54-I58 VanDerWaalsContact O-CG1 3.28Å; G54-I58 WeakPolarHBondContact O-CG1 3.46Å; G54-I58 PolarHBondContact O-N 3.27Å; G54-I58 VanDerWaalsContact O-N 3.08Å |
| 55 | A | 96.1 | Very high | 92.6 | Very high | 51 Ų | 51 | 64.2 Ų | 64.2 | 42% | 0.421 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -63.5 | -41.7 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | L51 I52 E53 I58 F59 | L51-A55 WeakPolarHBondContact O-CB 3.32Å; L51-A55 PolarHBondContact O-N 2.85Å; I52-A55 PolarHBondContact O-N 3.31Å; E53-A55 PolarHBondContact O-N 2.84Å; A55-I58 PolarHBondContact O-N 3.15Å; A55-F59 WeakPolarHBondContact O-CB 3.32Å; A55-F59 PolarHBondContact O-N 3.11Å |
| 56 | L | 95.6 | Very high | 93.3 | Very high | 91 Ų | 91 | 61 Ų | 61 | 48% | 0.476 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.4 | -41.8 | 176.7 | -179.3 | 64.7 | 0 | 0 | 0 | 111.3 | I52 E53 F59 L60 | I52-L56 VanDerWaalsContact O-CB 3.26Å; I52-L56 WeakPolarHBondContact O-CB 3.37Å; I52-L56 PolarHBondContact O-N 3.45Å; E53-L56 PolarHBondContact O-N 3.27Å; L56-F59 PolarHBondContact O-N 3.23Å; L56-L60 HydrophobicContact CD1-CD1 4.1Å; L56-L60 HydrophobicContact CD1-CG 4.09Å; L56-L60 HydrophobicContact CD2-CD1 4.47Å; L56-L60 HydrophobicContact CG-CD1 3.88Å; L56-L60 HydrophobicContact CG-CG 4.27Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 2.88Å |
| 57 | I | 96.4 | Very high | 93.7 | Very high | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.072 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.4 | -46.2 | 176.6 | -68.8 | 152.7 | 0 | 0 | 0 | 110.8 | E53 G54 F59 L60 A61 F102 W105 | E53-I57 HydrophobicContact CG-CD1 3.97Å; E53-I57 VanDerWaalsContact O-CD1 3.25Å; E53-I57 WeakPolarHBondContact O-CD1 3.32Å; E53-I57 VanDerWaalsContact O-CG1 3.23Å; E53-I57 WeakPolarHBondContact O-CG1 3.17Å; E53-I57 PolarHBondContact O-N 2.94Å; G54-I57 PolarHBondContact O-N 2.87Å; I57-F59 VanDerWaalsContact C-N 3.32Å; I57-F59 PolarHBondContact O-N 3.41Å; I57-L60 PolarHBondContact O-N 3.44Å; I57-A61 WeakPolarHBondContact O-CB 3.38Å; I57-A61 PolarHBondContact O-N 3.46Å; I57-F102 WeakPolarHBondContact CG2-O 3.16Å; I57-W105 HydrophobicContact CB-CZ3 4.48Å; I57-W105 HydrophobicContact CD1-CE3 3.88Å; I57-W105 HydrophobicContact CD1-CH2 3.21Å; I57-W105 HydrophobicContact CD1-CZ2 3.98Å; I57-W105 HydrophobicContact CD1-CZ3 3.17Å; I57-W105 HydrophobicContact CG1-CE3 4.45Å; I57-W105 HydrophobicContact CG1-CH2 4.23Å; I57-W105 HydrophobicContact CG1-CZ3 3.78Å; I57-W105 HydrophobicContact CG2-CE3 3.82Å; I57-W105 HydrophobicContact CG2-CZ3 3.94Å |
| 58 | I | 97.8 | Very high | 94.1 | Very high | 58 Ų | 58 | 60.6 Ų | 60.6 | 30% | 0.297 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59 | -47.2 | 176.9 | -65.2 | 164.8 | 0 | 0 | 0 | 110.2 | G54 A55 A61 F62 I107 V110 | G54-I58 VanDerWaalsContact O-CG1 3.28Å; G54-I58 WeakPolarHBondContact O-CG1 3.46Å; G54-I58 PolarHBondContact O-N 3.27Å; G54-I58 VanDerWaalsContact O-N 3.08Å; A55-I58 PolarHBondContact O-N 3.15Å; I58-A61 PolarHBondContact O-N 3.21Å; I58-F62 WeakPolarHBondContact O-CB 3.5Å; I58-F62 PolarHBondContact O-N 3.02Å; I58-I107 HydrophobicContact CD1-CG1 3.91Å; I58-I107 HydrophobicContact CG1-CG1 3.99Å; I58-V110 HydrophobicContact CD1-CG2 3.93Å |
| 59 | F | 97 | Very high | 94.4 | Very high | 125 Ų | 125 | 52.6 Ų | 52.6 | 55% | 0.548 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -61.4 | -49.3 | 179.1 | 175.3 | -102.2 | 0 | 0 | 0 | 112 | A55 L56 I57 A61 F62 V63 | A55-F59 WeakPolarHBondContact O-CB 3.32Å; A55-F59 PolarHBondContact O-N 3.11Å; L56-F59 PolarHBondContact O-N 3.23Å; I57-F59 VanDerWaalsContact C-N 3.32Å; I57-F59 PolarHBondContact O-N 3.41Å; F59-A61 PolarHBondContact O-N 2.91Å; F59-F62 PolarHBondContact O-N 3.26Å; F59-V63 HydrophobicContact CD1-CG2 4.39Å; F59-V63 HydrophobicContact CD2-CG2 4.29Å; F59-V63 HydrophobicContact CE1-CG2 3.96Å; F59-V63 HydrophobicContact CE2-CG2 3.85Å; F59-V63 HydrophobicContact CZ-CG2 3.67Å; F59-V63 WeakPolarHBondContact O-CG2 3.35Å; F59-V63 PolarHBondContact O-N 2.64Å |
| 60 | L | 95.2 | Very high | 94.6 | Very high | 85 Ų | 85 | 55.7 Ų | 55.7 | 45% | 0.445 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -64.4 | -39.1 | 179.2 | -70.6 | 175.5 | 0 | 0 | 0 | 112.1 | L56 I57 V63 G64 | L56-L60 HydrophobicContact CD1-CD1 4.1Å; L56-L60 HydrophobicContact CD1-CG 4.09Å; L56-L60 HydrophobicContact CD2-CD1 4.47Å; L56-L60 HydrophobicContact CG-CD1 3.88Å; L56-L60 HydrophobicContact CG-CG 4.27Å; L56-L60 WeakPolarHBondContact O-CB 3.5Å; L56-L60 VanDerWaalsContact O-CG 3.27Å; L56-L60 WeakPolarHBondContact O-CG 3.45Å; L56-L60 PolarHBondContact O-N 2.88Å; I57-L60 PolarHBondContact O-N 3.44Å; L60-V63 PolarHBondContact O-N 3.26Å; L60-G64 PolarHBondContact O-N 3.41Å |
| 61 | A | 96.9 | Very high | 94.6 | Very high | 6 Ų | 6 | 58 Ų | 58 | 5% | 0.05 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.5 | -46.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I57 I58 F59 G64 I65 Y99 | I57-A61 WeakPolarHBondContact O-CB 3.38Å; I57-A61 PolarHBondContact O-N 3.46Å; I58-A61 PolarHBondContact O-N 3.21Å; F59-A61 PolarHBondContact O-N 2.91Å; A61-G64 PolarHBondContact O-N 3.42Å; A61-I65 VanDerWaalsContact O-CG1 3.28Å; A61-I65 WeakPolarHBondContact O-CG1 3.47Å; A61-I65 PolarHBondContact O-N 3.39Å; A61-Y99 VanDerWaalsContact CB-O 3.29Å; A61-Y99 WeakPolarHBondContact CB-O 3.33Å |
| 62 | F | 96.8 | Very high | 94.5 | Very high | 123 Ų | 123 | 59.6 Ų | 59.6 | 54% | 0.539 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -60.7 | -50.6 | 176.4 | 175.3 | -100.9 | 0 | 0 | 0 | 111.7 | I58 F59 G64 I65 M66 | I58-F62 WeakPolarHBondContact O-CB 3.5Å; I58-F62 PolarHBondContact O-N 3.02Å; F59-F62 PolarHBondContact O-N 3.26Å; F62-G64 VanDerWaalsContact C-N 3.29Å; F62-G64 PolarHBondContact O-N 3.23Å; F62-I65 PolarHBondContact O-N 2.86Å; F62-M66 HydrophobicContact CD1-CG 4.24Å; F62-M66 HydrophobicContact CD2-CG 4.39Å; F62-M66 HydrophobicContact CE1-CG 3.79Å; F62-M66 HydrophobicContact CE2-CE 4.08Å; F62-M66 HydrophobicContact CE2-CG 3.96Å; F62-M66 HydrophobicContact CE2-SD 4.05Å; F62-M66 HydrophobicContact CZ-CG 3.64Å; F62-M66 HydrophobicContact CZ-SD 3.92Å; F62-M66 WeakPolarHBondContact O-CG 3.45Å; F62-M66 PolarHBondContact O-N 2.82Å |
| 63 | V | 95.2 | Very high | 94.1 | Very high | 62 Ų | 62 | 59.2 Ų | 59.2 | 38% | 0.376 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -59.3 | -41.1 | 177.3 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | F59 L60 M66 A67 | F59-V63 HydrophobicContact CD1-CG2 4.39Å; F59-V63 HydrophobicContact CD2-CG2 4.29Å; F59-V63 HydrophobicContact CE1-CG2 3.96Å; F59-V63 HydrophobicContact CE2-CG2 3.85Å; F59-V63 HydrophobicContact CZ-CG2 3.67Å; F59-V63 WeakPolarHBondContact O-CG2 3.35Å; F59-V63 PolarHBondContact O-N 2.64Å; L60-V63 PolarHBondContact O-N 3.26Å; V63-M66 PolarHBondContact O-N 3.02Å; V63-A67 VanDerWaalsContact O-CB 3.32Å; V63-A67 WeakPolarHBondContact O-CB 3.37Å; V63-A67 PolarHBondContact O-N 3.21Å |
| 64 | G | 93.1 | Very high | 93.9 | Very high | 10 Ų | 10 | 58.7 Ų | 58.7 | 10% | 0.103 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -60.9 | -45.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | L60 A61 F62 A67 E68 Y99 | L60-G64 PolarHBondContact O-N 3.41Å; A61-G64 PolarHBondContact O-N 3.42Å; F62-G64 VanDerWaalsContact C-N 3.29Å; F62-G64 PolarHBondContact O-N 3.23Å; G64-A67 PolarHBondContact O-N 2.95Å; G64-E68 WeakPolarHBondContact O-CB 3.43Å; G64-E68 WeakPolarHBondContact O-CG 3.5Å; G64-E68 PolarHBondContact O-N 3.24Å; G64-Y99 VanDerWaalsContact C-CD2 3.46Å |
| 65 | I | 95.4 | Very high | 93.8 | Very high | 39 Ų | 39 | 58.9 Ų | 58.9 | 20% | 0.2 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -62.7 | -45.7 | 175 | -64 | 164.7 | 0 | 0 | 0 | 110.2 | A61 F62 A67 E68 Q69 F100 | A61-I65 VanDerWaalsContact O-CG1 3.28Å; A61-I65 WeakPolarHBondContact O-CG1 3.47Å; A61-I65 PolarHBondContact O-N 3.39Å; F62-I65 PolarHBondContact O-N 2.86Å; I65-A67 VanDerWaalsContact C-N 3.34Å; I65-A67 PolarHBondContact O-N 3.48Å; I65-E68 PolarHBondContact O-N 3.35Å; I65-Q69 HydrophobicContact CG2-CG 4.22Å; I65-Q69 WeakPolarHBondContact O-CB 3.41Å; I65-Q69 VanDerWaalsContact O-CG 3.24Å; I65-Q69 WeakPolarHBondContact O-CG 3.26Å; I65-Q69 PolarHBondContact O-N 3.15Å; I65-F100 HydrophobicContact CD1-CB 4.18Å |
| 66 | M | 95.5 | Very high | 93.6 | Very high | 67 Ų | 67 | 60.6 Ų | 60.6 | 33% | 0.33 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 178.9 | -67.3 | -58.5 | 97.4 | 0 | 0 | 111.7 | F62 V63 Q69 F70 | F62-M66 HydrophobicContact CD1-CG 4.24Å; F62-M66 HydrophobicContact CD2-CG 4.39Å; F62-M66 HydrophobicContact CE1-CG 3.79Å; F62-M66 HydrophobicContact CE2-CE 4.08Å; F62-M66 HydrophobicContact CE2-CG 3.96Å; F62-M66 HydrophobicContact CE2-SD 4.05Å; F62-M66 HydrophobicContact CZ-CG 3.64Å; F62-M66 HydrophobicContact CZ-SD 3.92Å; F62-M66 WeakPolarHBondContact O-CG 3.45Å; F62-M66 PolarHBondContact O-N 2.82Å; V63-M66 PolarHBondContact O-N 3.02Å; M66-Q69 PolarHBondContact O-N 2.99Å; M66-F70 HydrophobicContact CE-CD2 4.24Å; M66-F70 HydrophobicContact CE-CE2 3.82Å; M66-F70 WeakPolarHBondContact O-CB 3.37Å; M66-F70 PolarHBondContact O-N 3.47Å; M66-F70 HydrophobicContact SD-CD2 3.84Å; M66-F70 HydrophobicContact SD-CE2 3.83Å |
| 67 | A | 91.8 | Very high | 93.4 | Very high | 48 Ų | 48 | 58.2 Ų | 58.2 | 40% | 0.397 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | V63 G64 I65 Q69 V71 | V63-A67 VanDerWaalsContact O-CB 3.32Å; V63-A67 WeakPolarHBondContact O-CB 3.37Å; V63-A67 PolarHBondContact O-N 3.21Å; G64-A67 PolarHBondContact O-N 2.95Å; I65-A67 VanDerWaalsContact C-N 3.34Å; I65-A67 PolarHBondContact O-N 3.48Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.89Å; A67-V71 HydrophobicContact CB-CG2 4.49Å; A67-V71 WeakPolarHBondContact O-CB 3.37Å; A67-V71 WeakPolarHBondContact O-CG2 3.47Å; A67-V71 PolarHBondContact O-N 2.97Å |
| 68 | E | 92.3 | Very high | 93.2 | Very high | 32 Ų | 32 | 63 Ų | 63 | 15% | 0.15 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -67.9 | -32.2 | 178.9 | -73.8 | -68.8 | 176 | 0 | 0 | 112.6 | G64 I65 P75 N92 H95 S96 Y99 | G64-E68 WeakPolarHBondContact O-CB 3.43Å; G64-E68 WeakPolarHBondContact O-CG 3.5Å; G64-E68 PolarHBondContact O-N 3.24Å; I65-E68 PolarHBondContact O-N 3.35Å; E68-P75 WeakPolarHBondContact O-CD 3.19Å; E68-N92 HydrophobicContact CB-CB 4.44Å; E68-N92 PolarHBondContact O-ND2 3.1Å; E68-N92 VanDerWaalsContact OE2-CG 3.29Å; E68-N92 PolarHBondContact OE2-ND2 3.5Å; E68-H95 HydrophobicContact CG-CB 3.86Å; E68-H95 IonicContact OE1-CE1 2.91Å; E68-H95 IonicContact OE1-CG 3.61Å; E68-H95 IonicContact OE1-ND1 3.98Å; E68-H95 PolarHBondContact OE1-ND1 2.91Å; E68-H95 IonicContact OE2-ND1 3.71Å; E68-S96 WeakPolarHBondContact CB-OG 3.49Å; E68-Y99 HydrophobicContact CG-CD2 4.34Å; E68-Y99 HydrophobicContact CG-CE2 3.74Å |
| 69 | Q | 93.6 | Very high | 92.9 | Very high | 9 Ų | 9 | 63.9 Ų | 63.9 | 4% | 0.042 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -88.5 | -40 | -176.4 | -66.2 | -61.1 | -52.3 | 0 | 0 | 113.9 | I65 M66 A67 P75 H76 S96 | I65-Q69 HydrophobicContact CG2-CG 4.22Å; I65-Q69 WeakPolarHBondContact O-CB 3.41Å; I65-Q69 VanDerWaalsContact O-CG 3.24Å; I65-Q69 WeakPolarHBondContact O-CG 3.26Å; I65-Q69 PolarHBondContact O-N 3.15Å; M66-Q69 PolarHBondContact O-N 2.99Å; A67-Q69 VanDerWaalsContact C-N 3.31Å; A67-Q69 PolarHBondContact O-N 2.89Å; Q69-P75 WeakPolarHBondContact O-CD 3.42Å; Q69-P75 VanDerWaalsContact OE1-CG 3.3Å; Q69-H76 VanDerWaalsContact O-CA 3.3Å; Q69-H76 WeakPolarHBondContact O-CA 3.35Å; Q69-H76 PolarHBondContact O-N 3.31Å; Q69-S96 PolarHBondContact NE2-OG 2.88Å |
| 70 | F | 93.7 | Very high | 92.8 | Very high | 109 Ų | 109 | 63 Ų | 63 | 48% | 0.478 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -123.1 | 9.8 | -162.7 | -58 | -71.7 | 0 | 0 | 0 | 115.5 | M66 | M66-F70 HydrophobicContact CE-CD2 4.24Å; M66-F70 HydrophobicContact CE-CE2 3.82Å; M66-F70 WeakPolarHBondContact O-CB 3.37Å; M66-F70 PolarHBondContact O-N 3.47Å; M66-F70 HydrophobicContact SD-CD2 3.84Å; M66-F70 HydrophobicContact SD-CE2 3.83Å |
| 71 | V | 90.6 | Very high | 92.6 | Very high | 70 Ų | 70 | 62.1 Ų | 62.1 | 42% | 0.424 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -59.2 | 152.2 | 161.4 | 163.8 | 0 | 0 | 0 | 0 | 108.8 | A67 D73 G74 H76 | A67-V71 HydrophobicContact CB-CG2 4.49Å; A67-V71 WeakPolarHBondContact O-CB 3.37Å; A67-V71 WeakPolarHBondContact O-CG2 3.47Å; A67-V71 PolarHBondContact O-N 2.97Å; V71-D73 PolarHBondContact O-N 3.37Å; V71-G74 WeakPolarHBondContact O-CA 3.47Å; V71-G74 PolarHBondContact O-N 2.94Å; V71-H76 PolarHBondContact O-CE1 3.15Å; V71-H76 PolarHBondContact O-NE2 3.29Å |
| 72 | P | 88.9 | Confident | 92.3 | Very high | 117 Ų | 117 | 72.2 Ų | 72.2 | 76% | 0.76 | 37% | 0.373 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -30.8 | -177.6 | -31.2 | 37.2 | 0 | 0 | 0 | 114.6 | H76 | P72-H76 PolarHBondContact O-CE1 2.9Š|
| 73 | D | 86.3 | Confident | 92 | Very high | 108 Ų | 108 | 75.1 Ų | 75.1 | 58% | 0.578 | 39% | 0.389 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -96.3 | 26.8 | 173.3 | -62.7 | -43.6 | 0 | 0 | 0 | 113.3 | V71 K89 | V71-D73 PolarHBondContact O-N 3.37Å; D73-K89 VanDerWaalsContact O-CD 3.3Å; D73-K89 WeakPolarHBondContact O-CD 3.45Å; D73-K89 WeakPolarHBondContact O-CE 3.46Å; D73-K89 PolarHBondContact O-NZ 3.1Å |
| 74 | G | 88.6 | Confident | 91.7 | Very high | 8 Ų | 8 | 76.3 Ų | 76.3 | 8% | 0.082 | 40% | 0.396 | C | S | . | . | S | Bend | trans | -88.9 | 171.2 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | V71 H76 | V71-G74 WeakPolarHBondContact O-CA 3.47Å; V71-G74 PolarHBondContact O-N 2.94Å; G74-H76 VanDerWaalsContact C-N 3.29Å; G74-H76 PolarHBondContact O-ND1 3.01Å |
| 75 | P | 92.6 | Very high | 91.7 | Very high | 4 Ų | 4 | 83.8 Ų | 83.8 | 3% | 0.026 | 43% | 0.425 | C | S | . | . | trans | -72 | -16.6 | 171.4 | 29.8 | -35.4 | 0 | 0 | 0 | 113.9 | E68 Q69 G77 H78 V88 K89 N92 | E68-P75 WeakPolarHBondContact O-CD 3.19Å; Q69-P75 WeakPolarHBondContact O-CD 3.42Å; Q69-P75 VanDerWaalsContact OE1-CG 3.3Å; P75-G77 PolarHBondContact O-N 2.73Å; P75-H78 WeakPolarHBondContact O-CB 3.4Å; P75-H78 PolarHBondContact O-CD2 3.48Å; P75-H78 PolarHBondContact O-N 3.4Å; P75-V88 HydrophobicContact CB-CG1 3.98Å; P75-K89 HydrophobicContact CB-CB 4.41Å; P75-N92 HydrophobicContact CG-CB 4.18Å | ||
| 76 | H | 92.9 | Very high | 91.5 | Very high | 87 Ų | 87 | 84.3 Ų | 84.3 | 40% | 0.403 | 43% | 0.433 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.2 | 36.1 | -179.9 | -60.9 | 79.6 | 0 | 0 | 0 | 113.9 | Q69 V71 P72 G74 H78 | Q69-H76 VanDerWaalsContact O-CA 3.3Å; Q69-H76 WeakPolarHBondContact O-CA 3.35Å; Q69-H76 PolarHBondContact O-N 3.31Å; V71-H76 PolarHBondContact O-CE1 3.15Å; V71-H76 PolarHBondContact O-NE2 3.29Å; P72-H76 PolarHBondContact O-CE1 2.9Å; G74-H76 VanDerWaalsContact C-N 3.29Å; G74-H76 PolarHBondContact O-ND1 3.01Å; H76-H78 PolarHBondContact O-N 2.94Å |
| 77 | G | 91.4 | Very high | 91.4 | Very high | 42 Ų | 42 | 88.8 Ų | 88.8 | 43% | 0.433 | 45% | 0.446 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 78.6 | -1.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 115 | P75 L79 | P75-G77 PolarHBondContact O-N 2.73Å; G77-L79 PolarHBondContact O-N 3.17Å |
| 78 | H | 92.1 | Very high | 91.4 | Very high | 114 Ų | 114 | 87.9 Ų | 87.9 | 53% | 0.528 | 44% | 0.436 | S | S | . | . | trans | -82.4 | 115.3 | 172.2 | -61.5 | -79.1 | 0 | 0 | 0 | 109.9 | P75 H76 V88 W93 | P75-H78 WeakPolarHBondContact O-CB 3.4Å; P75-H78 PolarHBondContact O-CD2 3.48Å; P75-H78 PolarHBondContact O-N 3.4Å; H76-H78 PolarHBondContact O-N 2.94Å; H78-V88 WeakPolarHBondContact O-CB 3.43Å; H78-W93 PolarHBondContact O-NE1 3.04Å | ||
| 79 | L | 91.8 | Very high | 91.2 | Very high | 77 Ų | 77 | 90.9 Ų | 90.9 | 40% | 0.403 | 45% | 0.448 | S | S | . | . | trans | -87.6 | -39 | 176.5 | -178.8 | 62.7 | 0 | 0 | 0 | 112.1 | G77 W87 V88 L90 W93 | G77-L79 PolarHBondContact O-N 3.17Å; L79-W87 HydrophobicContact CD1-CE3 4.42Å; L79-W87 HydrophobicContact CD1-CZ3 4.47Å; L79-W87 HydrophobicContact CD2-CZ3 4.32Å; L79-W87 HydrophobicContact CG-CE3 4.27Å; L79-W87 HydrophobicContact CG-CZ3 4.05Å; L79-V88 PolarHBondContact O-N 3.25Å; L79-L90 HydrophobicContact CD1-CD1 4.22Å; L79-W93 HydrophobicContact CB-CZ2 3.99Å; L79-W93 HydrophobicContact CD1-CD2 3.76Å; L79-W93 HydrophobicContact CD1-CE3 4.46Å; L79-W93 HydrophobicContact CD1-CG 3.78Å; L79-W93 HydrophobicContact CD1-CZ2 4.3Å | ||
| 80 | Y | 94.3 | Very high | 91 | Very high | 107 Ų | 107 | 93.8 Ų | 93.8 | 42% | 0.42 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.6 | 131.5 | -172.5 | -170.1 | -99.7 | 0 | 0 | 0 | 110.8 | K85 S86 W87 | Y80-K85 VanDerWaalsContact CZ-C 3.44Å; Y80-K85 WeakPolarHBondContact OH-CA 3.42Å; Y80-K85 WeakPolarHBondContact OH-CB 3.41Å; Y80-K85 PolarHBondContact OH-O 2.9Å; Y80-S86 WeakPolarHBondContact CD2-O 3.36Å; Y80-W87 AromaticContact CD2-CD2 3.81Å; Y80-W87 HydrophobicContact CD2-CD2 3.81Å; Y80-W87 AromaticContact CD2-CE3 3.79Å; Y80-W87 HydrophobicContact CD2-CE3 3.79Å; Y80-W87 HydrophobicContact CD2-CG 4.3Å; Y80-W87 HydrophobicContact CD2-CH2 4.42Å; Y80-W87 HydrophobicContact CD2-CZ2 4.44Å; Y80-W87 HydrophobicContact CD2-CZ3 4.11Å; Y80-W87 HydrophobicContact CE2-CD2 4.28Å |
| 81 | L | 91.1 | Very high | 90.7 | Very high | 65 Ų | 65 | 91.8 Ų | 91.8 | 34% | 0.34 | 46% | 0.457 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96.7 | 111.4 | 177.3 | -140.4 | 76.3 | 0 | 0 | 0 | 109.1 | E83 T84 K85 S86 V88 | L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 2.93Å; L81-T84 HydrophobicContact CD2-CG2 4.19Å; L81-K85 WeakPolarHBondContact O-CA 3.29Å; L81-K85 PolarHBondContact O-N 3.28Å; L81-S86 PolarHBondContact N-O 3.49Å; L81-S86 PolarHBondContact O-N 2.87Å; L81-V88 HydrophobicContact CB-CG2 4.13Å; L81-V88 HydrophobicContact CD1-CG2 4.27Å |
| 82 | R | 89.9 | Confident | 90.7 | Very high | 218 Ų | 218 | 89.9 Ų | 89.9 | 82% | 0.823 | 44% | 0.444 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65 | -35.7 | -176.1 | -174.7 | -179.5 | -68 | -93.7 | 0.5 | 112.4 | K85 | R82-K85 PolarHBondContact O-N 3.34Š|
| 83 | E | 91.7 | Very high | 90.9 | Very high | 185 Ų | 185 | 87.6 Ų | 87.6 | 86% | 0.864 | 42% | 0.42 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.7 | -47.9 | -177 | -63.3 | 176.6 | -176 | 0 | 0 | 112 | L81 | L81-E83 VanDerWaalsContact C-N 3.31Å; L81-E83 PolarHBondContact O-N 2.93Å |
| 84 | T | 89 | Confident | 91.2 | Very high | 86 Ų | 86 | 84 Ų | 84 | 53% | 0.528 | 40% | 0.4 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -93.6 | 0.5 | -179.4 | 59.6 | 0 | 0 | 0 | 0 | 113 | L81 S86 | L81-T84 HydrophobicContact CD2-CG2 4.19Å; T84-S86 PolarHBondContact O-N 2.87Å; T84-S86 PolarHBondContact OG1-OG 3.3Å |
| 85 | K | 91.5 | Very high | 91.3 | Very high | 167 Ų | 167 | 85.4 Ų | 85.4 | 73% | 0.726 | 40% | 0.404 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.7 | 39.4 | -175.7 | -62.3 | -177.3 | -178.7 | 177.4 | 0 | 113.3 | Y80 L81 R82 | Y80-K85 VanDerWaalsContact CZ-C 3.44Å; Y80-K85 WeakPolarHBondContact OH-CA 3.42Å; Y80-K85 WeakPolarHBondContact OH-CB 3.41Å; Y80-K85 PolarHBondContact OH-O 2.9Å; L81-K85 WeakPolarHBondContact O-CA 3.29Å; L81-K85 PolarHBondContact O-N 3.28Å; R82-K85 PolarHBondContact O-N 3.34Å |
| 86 | S | 92.3 | Very high | 91.4 | Very high | 50 Ų | 50 | 85.7 Ų | 85.7 | 35% | 0.35 | 41% | 0.406 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 151.5 | -171.9 | 68.6 | 0 | 0 | 0 | 0 | 113 | Y80 L81 T84 | Y80-S86 WeakPolarHBondContact CD2-O 3.36Å; L81-S86 PolarHBondContact N-O 3.49Å; L81-S86 PolarHBondContact O-N 2.87Å; T84-S86 PolarHBondContact O-N 2.87Å; T84-S86 PolarHBondContact OG1-OG 3.3Å |
| 87 | W | 92.6 | Very high | 91.6 | Very high | 162 Ų | 162 | 84.1 Ų | 84.1 | 61% | 0.614 | 40% | 0.403 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77 | 138.6 | 174.3 | -61.8 | 102.2 | 0 | 0 | 0 | 110.7 | L79 Y80 L90 | L79-W87 HydrophobicContact CD1-CE3 4.42Å; L79-W87 HydrophobicContact CD1-CZ3 4.47Å; L79-W87 HydrophobicContact CD2-CZ3 4.32Å; L79-W87 HydrophobicContact CG-CE3 4.27Å; L79-W87 HydrophobicContact CG-CZ3 4.05Å; Y80-W87 AromaticContact CD2-CD2 3.81Å; Y80-W87 HydrophobicContact CD2-CD2 3.81Å; Y80-W87 AromaticContact CD2-CE3 3.79Å; Y80-W87 HydrophobicContact CD2-CE3 3.79Å; Y80-W87 HydrophobicContact CD2-CG 4.3Å; Y80-W87 HydrophobicContact CD2-CH2 4.42Å; Y80-W87 HydrophobicContact CD2-CZ2 4.44Å; Y80-W87 HydrophobicContact CD2-CZ3 4.11Å; Y80-W87 HydrophobicContact CE2-CD2 4.28Å; W87-L90 HydrophobicContact CB-CD1 4.34Å; W87-L90 HydrophobicContact CD2-CD1 4.36Å; W87-L90 HydrophobicContact CE3-CD1 4.05Å |
| 88 | V | 92.1 | Very high | 91.7 | Very high | 29 Ų | 29 | 83 Ų | 83 | 18% | 0.176 | 39% | 0.387 | C | S | . | . | trans | -98.3 | 112.6 | -178.7 | -178.4 | 0 | 0 | 0 | 0 | 109.3 | P75 H78 L79 L81 L90 | P75-V88 HydrophobicContact CB-CG1 3.98Å; H78-V88 WeakPolarHBondContact O-CB 3.43Å; L79-V88 PolarHBondContact O-N 3.25Å; L81-V88 HydrophobicContact CB-CG2 4.13Å; L81-V88 HydrophobicContact CD1-CG2 4.27Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.46Å; V88-L90 VanDerWaalsContact O-N 3.16Å | ||
| 89 | K | 87.9 | Confident | 91.9 | Very high | 94 Ų | 94 | 80.8 Ų | 80.8 | 41% | 0.409 | 37% | 0.374 | S | S | . | . | trans | 44.5 | 53.5 | 170.2 | -63.6 | -178.6 | 178.5 | 169.4 | 0 | 113.2 | D73 P75 M91 N92 | D73-K89 VanDerWaalsContact O-CD 3.3Å; D73-K89 WeakPolarHBondContact O-CD 3.45Å; D73-K89 WeakPolarHBondContact O-CE 3.46Å; D73-K89 PolarHBondContact O-NZ 3.1Å; P75-K89 HydrophobicContact CB-CB 4.41Å; K89-M91 PolarHBondContact O-N 2.69Å; K89-N92 HydrophobicContact CB-CB 4.39Å; K89-N92 WeakPolarHBondContact O-CB 3.4Å; K89-N92 PolarHBondContact O-N 3.07Å | ||
| 90 | L | 90.3 | Very high | 92.1 | Very high | 70 Ų | 70 | 82.5 Ų | 82.5 | 37% | 0.366 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -56.8 | -25.5 | -173.3 | -154.5 | 70.5 | 0 | 0 | 0 | 113.6 | L79 W87 V88 W93 Q94 | L79-L90 HydrophobicContact CD1-CD1 4.22Å; W87-L90 HydrophobicContact CB-CD1 4.34Å; W87-L90 HydrophobicContact CD2-CD1 4.36Å; W87-L90 HydrophobicContact CE3-CD1 4.05Å; V88-L90 VanDerWaalsContact C-N 3.33Å; V88-L90 PolarHBondContact O-N 3.46Å; V88-L90 VanDerWaalsContact O-N 3.16Å; L90-W93 WeakPolarHBondContact O-CB 3.49Å; L90-W93 PolarHBondContact O-N 3.39Å; L90-Q94 WeakPolarHBondContact O-CG 3.33Å; L90-Q94 PolarHBondContact O-N 3.27Å |
| 91 | M | 87.3 | Confident | 92.3 | Very high | 68 Ų | 68 | 80.1 Ų | 80.1 | 34% | 0.335 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -42.7 | 173.6 | -68 | -61.4 | 130.7 | 0 | 0 | 113.2 | K89 W93 Q94 H95 H141 | K89-M91 PolarHBondContact O-N 2.69Å; M91-W93 VanDerWaalsContact C-N 3.25Å; M91-W93 PolarHBondContact O-N 2.9Å; M91-Q94 PolarHBondContact O-N 3.5Å; M91-H95 PolarHBondContact O-N 3.36Å; M91-H141 PolarHBondContact SD-CE1 2.91Å; M91-H141 PolarHBondContact SD-ND1 3.01Å |
| 92 | N | 91.1 | Very high | 92.6 | Very high | 30 Ų | 30 | 78.3 Ų | 78.3 | 16% | 0.16 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63.5 | -36.2 | 175.8 | -67.5 | 68.1 | 0 | 0 | 0 | 110.9 | E68 P75 K89 S96 | E68-N92 HydrophobicContact CB-CB 4.44Å; E68-N92 PolarHBondContact O-ND2 3.1Å; E68-N92 VanDerWaalsContact OE2-CG 3.29Å; E68-N92 PolarHBondContact OE2-ND2 3.5Å; P75-N92 HydrophobicContact CG-CB 4.18Å; K89-N92 HydrophobicContact CB-CB 4.39Å; K89-N92 WeakPolarHBondContact O-CB 3.4Å; K89-N92 PolarHBondContact O-N 3.07Å; N92-S96 WeakPolarHBondContact O-CB 3.35Å; N92-S96 PolarHBondContact O-N 2.98Å; N92-S96 PolarHBondContact O-OG 3.47Å |
| 93 | W | 92.9 | Very high | 93 | Very high | 68 Ų | 68 | 68.4 Ų | 68.4 | 26% | 0.258 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -65.8 | -44.7 | 174 | -77.5 | 102.4 | 0 | 0 | 0 | 112.2 | H78 L79 L90 M91 H95 S96 T97 | H78-W93 PolarHBondContact O-NE1 3.04Å; L79-W93 HydrophobicContact CB-CZ2 3.99Å; L79-W93 HydrophobicContact CD1-CD2 3.76Å; L79-W93 HydrophobicContact CD1-CE3 4.46Å; L79-W93 HydrophobicContact CD1-CG 3.78Å; L79-W93 HydrophobicContact CD1-CZ2 4.3Å; L90-W93 WeakPolarHBondContact O-CB 3.49Å; L90-W93 PolarHBondContact O-N 3.39Å; M91-W93 VanDerWaalsContact C-N 3.25Å; M91-W93 PolarHBondContact O-N 2.9Å; W93-H95 PolarHBondContact O-N 3.19Å; W93-S96 WeakPolarHBondContact O-CB 3.27Å; W93-S96 PolarHBondContact O-N 3.08Å; W93-T97 PolarHBondContact O-N 3.38Å; W93-T97 PolarHBondContact O-OG1 3.24Å; W93-T97 VanDerWaalsContact O-OG1 3.04Å |
| 94 | Q | 92.3 | Very high | 93.3 | Very high | 32 Ų | 32 | 62.5 Ų | 62.5 | 15% | 0.15 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.9 | -47.2 | 175.1 | -70.7 | -175.4 | -8.4 | 0 | 0 | 111.6 | L90 M91 S96 T97 M98 L137 | L90-Q94 WeakPolarHBondContact O-CG 3.33Å; L90-Q94 PolarHBondContact O-N 3.27Å; M91-Q94 PolarHBondContact O-N 3.5Å; Q94-S96 VanDerWaalsContact C-N 3.33Å; Q94-S96 PolarHBondContact O-N 3.36Å; Q94-T97 WeakPolarHBondContact O-CB 3.43Å; Q94-T97 PolarHBondContact O-N 3.44Å; Q94-M98 WeakPolarHBondContact O-CG 3.44Å; Q94-M98 PolarHBondContact O-N 3.32Å; Q94-L137 HydrophobicContact CG-CD2 4.33Å |
| 95 | H | 91.2 | Very high | 93.7 | Very high | 38 Ų | 38 | 58.9 Ų | 58.9 | 18% | 0.176 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.1 | -41.7 | 175.4 | -66.9 | -177.7 | 0 | 0 | 0 | 112.3 | E68 M91 W93 T97 M98 Y99 | E68-H95 HydrophobicContact CG-CB 3.86Å; E68-H95 IonicContact OE1-CE1 2.91Å; E68-H95 IonicContact OE1-CG 3.61Å; E68-H95 IonicContact OE1-ND1 3.98Å; E68-H95 PolarHBondContact OE1-ND1 2.91Å; E68-H95 IonicContact OE2-ND1 3.71Å; M91-H95 PolarHBondContact O-N 3.36Å; W93-H95 PolarHBondContact O-N 3.19Å; H95-T97 VanDerWaalsContact C-N 3.3Å; H95-T97 PolarHBondContact O-N 2.84Å; H95-M98 WeakPolarHBondContact O-CB 3.44Å; H95-M98 PolarHBondContact O-N 3.3Å; H95-M98 VanDerWaalsContact O-N 3.15Å; H95-Y99 HydrophobicContact CB-CE2 4.24Å; H95-Y99 WeakPolarHBondContact O-CD2 3.32Å; H95-Y99 PolarHBondContact O-N 2.98Å |
| 96 | S | 94.6 | Very high | 94 | Very high | 10 Ų | 10 | 50.9 Ų | 50.9 | 7% | 0.07 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -39.9 | 176.6 | -58.7 | 0 | 0 | 0 | 0 | 111.7 | E68 Q69 N92 W93 Q94 Y99 F100 | E68-S96 WeakPolarHBondContact CB-OG 3.49Å; Q69-S96 PolarHBondContact NE2-OG 2.88Å; N92-S96 WeakPolarHBondContact O-CB 3.35Å; N92-S96 PolarHBondContact O-N 2.98Å; N92-S96 PolarHBondContact O-OG 3.47Å; W93-S96 WeakPolarHBondContact O-CB 3.27Å; W93-S96 PolarHBondContact O-N 3.08Å; Q94-S96 VanDerWaalsContact C-N 3.33Å; Q94-S96 PolarHBondContact O-N 3.36Å; S96-Y99 PolarHBondContact O-N 2.71Å; S96-F100 WeakPolarHBondContact O-CB 3.32Å; S96-F100 PolarHBondContact O-N 2.9Å |
| 97 | T | 95.5 | Very high | 94.2 | Very high | 54 Ų | 54 | 52.4 Ų | 52.4 | 33% | 0.331 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63.9 | -42.7 | 173.3 | -55.5 | 0 | 0 | 0 | 0 | 111.5 | W93 Q94 H95 F100 F101 I133 L137 | W93-T97 PolarHBondContact O-N 3.38Å; W93-T97 PolarHBondContact O-OG1 3.24Å; W93-T97 VanDerWaalsContact O-OG1 3.04Å; Q94-T97 WeakPolarHBondContact O-CB 3.43Å; Q94-T97 PolarHBondContact O-N 3.44Å; H95-T97 VanDerWaalsContact C-N 3.3Å; H95-T97 PolarHBondContact O-N 2.84Å; T97-F100 WeakPolarHBondContact O-CB 2.99Å; T97-F100 PolarHBondContact O-N 3.37Å; T97-F101 HydrophobicContact CG2-CD2 4.12Å; T97-F101 HydrophobicContact CG2-CE2 4Å; T97-F101 WeakPolarHBondContact O-CD2 3.34Å; T97-F101 PolarHBondContact O-N 2.88Å; T97-I133 HydrophobicContact CG2-CG2 4.45Å; T97-L137 HydrophobicContact CG2-CD1 3.88Å |
| 98 | M | 94.3 | Very high | 94.3 | Very high | 20 Ų | 20 | 45.5 Ų | 45.5 | 10% | 0.099 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.8 | -51.3 | 175.3 | -67 | 174 | 51.4 | 0 | 0 | 111.7 | Q94 H95 F100 F101 F102 E134 L137 F138 | Q94-M98 WeakPolarHBondContact O-CG 3.44Å; Q94-M98 PolarHBondContact O-N 3.32Å; H95-M98 WeakPolarHBondContact O-CB 3.44Å; H95-M98 PolarHBondContact O-N 3.3Å; H95-M98 VanDerWaalsContact O-N 3.15Å; M98-F100 VanDerWaalsContact C-N 3.25Å; M98-F100 PolarHBondContact O-N 3.12Å; M98-F101 PolarHBondContact O-N 2.98Å; M98-F102 WeakPolarHBondContact O-CD2 3.43Å; M98-F102 PolarHBondContact O-N 3.5Å; M98-E134 HydrophobicContact CE-CB 3.96Å; M98-E134 HydrophobicContact CE-CG 3.6Å; M98-L137 HydrophobicContact CG-CB 4.44Å; M98-L137 HydrophobicContact CG-CD1 3.62Å; M98-F138 HydrophobicContact CE-CD2 4.23Å; M98-F138 HydrophobicContact CE-CE2 3.51Å; M98-F138 HydrophobicContact CE-CZ 3.77Å; M98-F138 HydrophobicContact SD-CE2 4.16Å; M98-F138 HydrophobicContact SD-CZ 4.17Å |
| 99 | Y | 95.8 | Very high | 94.4 | Very high | 67 Ų | 67 | 45 Ų | 45 | 26% | 0.263 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -58.1 | -39.3 | 177.3 | -67.2 | -47.3 | 0 | 0 | 0 | 112.1 | A61 G64 E68 H95 S96 F101 F102 G103 | A61-Y99 VanDerWaalsContact CB-O 3.29Å; A61-Y99 WeakPolarHBondContact CB-O 3.33Å; G64-Y99 VanDerWaalsContact C-CD2 3.46Å; E68-Y99 HydrophobicContact CG-CD2 4.34Å; E68-Y99 HydrophobicContact CG-CE2 3.74Å; H95-Y99 HydrophobicContact CB-CE2 4.24Å; H95-Y99 WeakPolarHBondContact O-CD2 3.32Å; H95-Y99 PolarHBondContact O-N 2.98Å; S96-Y99 PolarHBondContact O-N 2.71Å; Y99-F101 PolarHBondContact O-N 3.02Å; Y99-F102 PolarHBondContact O-N 2.87Å; Y99-G103 PolarHBondContact O-N 3.26Å |
| 100 | F | 97.5 | Very high | 94.7 | Very high | 112 Ų | 112 | 42.4 Ų | 42.4 | 49% | 0.491 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -58.4 | -45.2 | 177.4 | 174.9 | -105.8 | 0 | 0 | 0 | 112.7 | I65 S96 T97 M98 G103 I104 | I65-F100 HydrophobicContact CD1-CB 4.18Å; S96-F100 WeakPolarHBondContact O-CB 3.32Å; S96-F100 PolarHBondContact O-N 2.9Å; T97-F100 WeakPolarHBondContact O-CB 2.99Å; T97-F100 PolarHBondContact O-N 3.37Å; M98-F100 VanDerWaalsContact C-N 3.25Å; M98-F100 PolarHBondContact O-N 3.12Å; F100-G103 WeakPolarHBondContact O-CA 3.42Å; F100-G103 PolarHBondContact O-N 3.21Å; F100-I104 HydrophobicContact CD1-CD1 3.92Å; F100-I104 HydrophobicContact CE1-CD1 3.39Å; F100-I104 HydrophobicContact CE1-CG1 4.33Å; F100-I104 HydrophobicContact CE2-CD1 4.36Å; F100-I104 HydrophobicContact CZ-CD1 3.65Å; F100-I104 HydrophobicContact CZ-CG1 4.24Å; F100-I104 WeakPolarHBondContact O-CG1 3.38Å; F100-I104 PolarHBondContact O-N 3.37Å |
| 101 | F | 98.1 | Very high | 94.8 | Very high | 58 Ų | 58 | 42.3 Ų | 42.3 | 25% | 0.254 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -69.5 | -37.4 | 178.3 | -83.9 | -90 | 0 | 0 | 0 | 113.1 | T97 M98 Y99 G103 I104 W105 A130 I133 | T97-F101 HydrophobicContact CG2-CD2 4.12Å; T97-F101 HydrophobicContact CG2-CE2 4Å; T97-F101 WeakPolarHBondContact O-CD2 3.34Å; T97-F101 PolarHBondContact O-N 2.88Å; M98-F101 PolarHBondContact O-N 2.98Å; Y99-F101 PolarHBondContact O-N 3.02Å; F101-G103 VanDerWaalsContact C-N 3.28Å; F101-G103 PolarHBondContact O-N 2.92Å; F101-I104 HydrophobicContact CD1-CD1 4.43Å; F101-I104 PolarHBondContact O-N 3.04Å; F101-W105 PolarHBondContact O-N 3.43Å; F101-A130 HydrophobicContact CB-CB 4.29Å; F101-I133 HydrophobicContact CD1-CG1 3.98Å; F101-I133 HydrophobicContact CD2-CB 4.24Å; F101-I133 HydrophobicContact CD2-CG1 4.13Å; F101-I133 HydrophobicContact CD2-CG2 3.69Å; F101-I133 HydrophobicContact CE1-CG1 3.96Å; F101-I133 HydrophobicContact CE2-CD1 4.41Å; F101-I133 HydrophobicContact CE2-CG1 4.11Å; F101-I133 HydrophobicContact CE2-CG2 4.03Å; F101-I133 HydrophobicContact CG-CB 4.23Å; F101-I133 HydrophobicContact CG-CG1 4.06Å; F101-I133 HydrophobicContact CG-CG2 4.15Å; F101-I133 HydrophobicContact CZ-CD1 4.23Å; F101-I133 HydrophobicContact CZ-CG1 4.02Å |
| 102 | F | 97.3 | Very high | 94.9 | Very high | 27 Ų | 27 | 41.5 Ų | 41.5 | 12% | 0.118 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64 | -35.6 | 170.1 | -78.9 | -73 | 0 | 0 | 0 | 111.9 | F14 I57 M98 Y99 W105 G106 A130 F131 E134 | F14-F102 HydrophobicContact CE1-CE1 4.11Å; F14-F102 HydrophobicContact CE1-CE2 4.48Å; F14-F102 AromaticContact CE1-CZ 3.75Å; F14-F102 HydrophobicContact CE1-CZ 3.75Å; F14-F102 HydrophobicContact CZ-CE2 4.12Å; F14-F102 AromaticContact CZ-CZ 3.78Å; F14-F102 HydrophobicContact CZ-CZ 3.78Å; I57-F102 WeakPolarHBondContact CG2-O 3.16Å; M98-F102 WeakPolarHBondContact O-CD2 3.43Å; M98-F102 PolarHBondContact O-N 3.5Å; Y99-F102 PolarHBondContact O-N 2.87Å; F102-W105 HydrophobicContact CD1-CE3 4Å; F102-W105 HydrophobicContact CD1-CZ3 4.31Å; F102-W105 PolarHBondContact O-N 3.03Å; F102-G106 PolarHBondContact O-N 3.32Å; F102-A130 HydrophobicContact CD1-CB 3.83Å; F102-A130 HydrophobicContact CD2-CB 4.47Å; F102-A130 HydrophobicContact CE1-CB 3.9Å; F102-A130 HydrophobicContact CG-CB 4.12Å; F102-A130 HydrophobicContact CZ-CB 4.26Å; F102-F131 HydrophobicContact CE1-CE1 4.3Å; F102-F131 HydrophobicContact CE1-CE2 4.47Å; F102-F131 HydrophobicContact CE1-CZ 4.28Å; F102-F131 HydrophobicContact CZ-CD1 4.09Å; F102-F131 HydrophobicContact CZ-CE1 4.1Å; F102-F131 HydrophobicContact CZ-CG 4.5Å; F102-E134 HydrophobicContact CE2-CB 4.29Å; F102-E134 WeakPolarHBondContact CZ-OE2 3.5Å |
| 103 | G | 97.9 | Very high | 94.7 | Very high | 9 Ų | 9 | 43.2 Ų | 43.2 | 9% | 0.093 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -62.2 | -44.4 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y99 F100 F101 W105 G106 I107 | Y99-G103 PolarHBondContact O-N 3.26Å; F100-G103 WeakPolarHBondContact O-CA 3.42Å; F100-G103 PolarHBondContact O-N 3.21Å; F101-G103 VanDerWaalsContact C-N 3.28Å; F101-G103 PolarHBondContact O-N 2.92Å; G103-W105 VanDerWaalsContact C-N 3.31Å; G103-W105 PolarHBondContact O-N 3.42Å; G103-G106 PolarHBondContact O-N 3.42Å; G103-G106 VanDerWaalsContact O-N 3.16Å; G103-I107 WeakPolarHBondContact O-CG1 3.5Å; G103-I107 PolarHBondContact O-N 3.13Å |
| 104 | I | 98.1 | Very high | 94.3 | Very high | 62 Ų | 62 | 41.7 Ų | 41.7 | 32% | 0.318 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -57.2 | -46.7 | 172.5 | -70.3 | 168.4 | 0 | 0 | 0 | 110.2 | F100 F101 G106 I107 V108 | F100-I104 HydrophobicContact CD1-CD1 3.92Å; F100-I104 HydrophobicContact CE1-CD1 3.39Å; F100-I104 HydrophobicContact CE1-CG1 4.33Å; F100-I104 HydrophobicContact CE2-CD1 4.36Å; F100-I104 HydrophobicContact CZ-CD1 3.65Å; F100-I104 HydrophobicContact CZ-CG1 4.24Å; F100-I104 WeakPolarHBondContact O-CG1 3.38Å; F100-I104 PolarHBondContact O-N 3.37Å; F101-I104 HydrophobicContact CD1-CD1 4.43Å; F101-I104 PolarHBondContact O-N 3.04Å; I104-G106 VanDerWaalsContact C-N 3.34Å; I104-G106 PolarHBondContact O-N 2.92Å; I104-I107 PolarHBondContact O-N 2.96Å; I104-V108 HydrophobicContact CG2-CG2 4.32Å; I104-V108 WeakPolarHBondContact O-CG2 3.09Å; I104-V108 PolarHBondContact O-N 2.99Å |
| 105 | W | 97.7 | Very high | 93.8 | Very high | 9 Ų | 9 | 46.8 Ų | 46.8 | 3% | 0.034 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60 | -43.1 | 176.1 | 164.9 | 60.9 | 0 | 0 | 0 | 112.3 | W21 I57 F101 F102 G103 I107 V108 K109 D123 A126 L127 | W21-W105 HydrophobicContact CH2-CH2 4.05Å; W21-W105 HydrophobicContact CH2-CZ2 4.36Å; W21-W105 AromaticContact CZ2-CH2 3.68Å; W21-W105 HydrophobicContact CZ2-CH2 3.68Å; W21-W105 AromaticContact CZ2-CZ2 3.98Å; W21-W105 HydrophobicContact CZ2-CZ2 3.98Å; I57-W105 HydrophobicContact CB-CZ3 4.48Å; I57-W105 HydrophobicContact CD1-CE3 3.88Å; I57-W105 HydrophobicContact CD1-CH2 3.21Å; I57-W105 HydrophobicContact CD1-CZ2 3.98Å; I57-W105 HydrophobicContact CD1-CZ3 3.17Å; I57-W105 HydrophobicContact CG1-CE3 4.45Å; I57-W105 HydrophobicContact CG1-CH2 4.23Å; I57-W105 HydrophobicContact CG1-CZ3 3.78Å; I57-W105 HydrophobicContact CG2-CE3 3.82Å; I57-W105 HydrophobicContact CG2-CZ3 3.94Å; F101-W105 PolarHBondContact O-N 3.43Å; F102-W105 HydrophobicContact CD1-CE3 4Å; F102-W105 HydrophobicContact CD1-CZ3 4.31Å; F102-W105 PolarHBondContact O-N 3.03Å; G103-W105 VanDerWaalsContact C-N 3.31Å; G103-W105 PolarHBondContact O-N 3.42Å; W105-I107 VanDerWaalsContact C-N 3.34Å; W105-I107 PolarHBondContact O-N 2.9Å; W105-V108 PolarHBondContact O-N 3.41Å; W105-K109 HydrophobicContact CZ2-CD 4.11Å; W105-K109 WeakPolarHBondContact O-CB 3.33Å; W105-K109 PolarHBondContact O-N 3.44Å; W105-D123 VanDerWaalsContact CD1-O 3.24Å; W105-D123 PolarHBondContact NE1-O 3.44Å; W105-A126 HydrophobicContact CB-CB 4.1Å; W105-L127 HydrophobicContact CD2-CB 4.34Å; W105-L127 HydrophobicContact CD2-CD1 3.68Å; W105-L127 HydrophobicContact CE3-CD1 3.92Å; W105-L127 HydrophobicContact CG-CB 4.1Å; W105-L127 HydrophobicContact CG-CD1 4.18Å; W105-L127 HydrophobicContact CH2-CD1 4.04Å; W105-L127 HydrophobicContact CZ2-CD1 3.82Å; W105-L127 HydrophobicContact CZ2-CD2 4.07Å; W105-L127 HydrophobicContact CZ2-CG 4.43Å; W105-L127 HydrophobicContact CZ3-CD1 4.07Å |
| 106 | G | 96.9 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -57.2 | -44.3 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | F102 G103 I104 K109 V110 | F102-G106 PolarHBondContact O-N 3.32Å; G103-G106 PolarHBondContact O-N 3.42Å; G103-G106 VanDerWaalsContact O-N 3.16Å; I104-G106 VanDerWaalsContact C-N 3.34Å; I104-G106 PolarHBondContact O-N 2.92Å; G106-K109 PolarHBondContact O-N 3.4Å; G106-V110 WeakPolarHBondContact O-CG2 3.41Å; G106-V110 PolarHBondContact O-N 2.93Å |
| 107 | I | 96.6 | Very high | 93.3 | Very high | 82 Ų | 82 | 55.6 Ų | 55.6 | 42% | 0.421 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -60.8 | -51.5 | 175.1 | -67 | 168 | 0 | 0 | 0 | 110.5 | I58 G103 I104 W105 K109 V110 L111 | I58-I107 HydrophobicContact CD1-CG1 3.91Å; I58-I107 HydrophobicContact CG1-CG1 3.99Å; G103-I107 WeakPolarHBondContact O-CG1 3.5Å; G103-I107 PolarHBondContact O-N 3.13Å; I104-I107 PolarHBondContact O-N 2.96Å; W105-I107 VanDerWaalsContact C-N 3.34Å; W105-I107 PolarHBondContact O-N 2.9Å; I107-K109 VanDerWaalsContact C-N 3.27Å; I107-K109 PolarHBondContact O-N 2.9Å; I107-V110 PolarHBondContact O-N 3.4Å; I107-L111 HydrophobicContact CG2-CD1 3.72Å; I107-L111 HydrophobicContact CG2-CG 4.14Å; I107-L111 VanDerWaalsContact O-CG 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.2Å |
| 108 | V | 95.9 | Very high | 93 | Very high | 16 Ų | 16 | 54.7 Ų | 54.7 | 10% | 0.097 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -57.2 | -43.9 | 179 | 170.9 | 0 | 0 | 0 | 0 | 110.4 | I104 W105 V110 L111 S112 L122 D123 A126 | I104-V108 HydrophobicContact CG2-CG2 4.32Å; I104-V108 WeakPolarHBondContact O-CG2 3.09Å; I104-V108 PolarHBondContact O-N 2.99Å; W105-V108 PolarHBondContact O-N 3.41Å; V108-V110 PolarHBondContact O-N 3.36Å; V108-L111 PolarHBondContact O-N 3.05Å; V108-S112 WeakPolarHBondContact O-CB 3.12Å; V108-S112 PolarHBondContact O-N 2.83Å; V108-S112 PolarHBondContact O-OG 3.22Å; V108-L122 HydrophobicContact CG1-CB 4.09Å; V108-L122 HydrophobicContact CG1-CD2 3.95Å; V108-L122 HydrophobicContact CG1-CG 3.68Å; V108-L122 HydrophobicContact CG2-CD2 4.4Å; V108-L122 HydrophobicContact CG2-CG 4.5Å; V108-D123 HydrophobicContact CG1-CB 4.38Å; V108-A126 HydrophobicContact CB-CB 4.11Å; V108-A126 HydrophobicContact CG1-CB 4.17Å; V108-A126 HydrophobicContact CG2-CB 4.05Å |
| 109 | K | 93.6 | Very high | 92.8 | Very high | 19 Ų | 19 | 57.9 Ų | 57.9 | 8% | 0.083 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -58 | -48.7 | 177.3 | -178.2 | 164.3 | 178 | 154.9 | 0 | 111.4 | D50 E53 W105 G106 I107 S112 M113 | D50-K109 WeakPolarHBondContact O-CE 3.38Å; D50-K109 IonicContact OD1-NZ 2.83Å; E53-K109 IonicContact OE1-NZ 3.86Å; E53-K109 PolarHBondContact OE1-NZ 2.94Å; E53-K109 IonicContact OE2-NZ 3.09Å; E53-K109 PolarHBondContact OE2-NZ 3.25Å; W105-K109 HydrophobicContact CZ2-CD 4.11Å; W105-K109 WeakPolarHBondContact O-CB 3.33Å; W105-K109 PolarHBondContact O-N 3.44Å; G106-K109 PolarHBondContact O-N 3.4Å; I107-K109 VanDerWaalsContact C-N 3.27Å; I107-K109 PolarHBondContact O-N 2.9Å; K109-S112 PolarHBondContact O-N 3.3Å; K109-M113 HydrophobicContact CG-CE 3.78Å; K109-M113 WeakPolarHBondContact O-CE 3.23Å |
| 110 | V | 94.6 | Very high | 92.4 | Very high | 39 Ų | 39 | 61.1 Ų | 61.1 | 24% | 0.236 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.3 | -45.1 | 175.8 | 173 | 0 | 0 | 0 | 0 | 111.8 | L51 I58 G106 I107 V108 S112 M113 S114 | L51-V110 HydrophobicContact CD1-CG1 3.92Å; L51-V110 HydrophobicContact CD1-CG2 4.28Å; I58-V110 HydrophobicContact CD1-CG2 3.93Å; G106-V110 WeakPolarHBondContact O-CG2 3.41Å; G106-V110 PolarHBondContact O-N 2.93Å; I107-V110 PolarHBondContact O-N 3.4Å; V108-V110 PolarHBondContact O-N 3.36Å; V110-S112 VanDerWaalsContact C-N 3.31Å; V110-S112 PolarHBondContact O-N 3.49Å; V110-M113 PolarHBondContact O-N 2.73Å; V110-M113 VanDerWaalsContact O-N 3.08Å; V110-S114 PolarHBondContact O-N 2.73Å |
| 111 | L | 92.7 | Very high | 92 | Very high | 68 Ų | 68 | 56.1 Ų | 56.1 | 36% | 0.356 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -62.9 | -36.9 | 178.6 | -68.3 | 174.9 | 0 | 0 | 0 | 111.9 | I107 V108 M113 S114 L116 V118 | I107-L111 HydrophobicContact CG2-CD1 3.72Å; I107-L111 HydrophobicContact CG2-CG 4.14Å; I107-L111 VanDerWaalsContact O-CG 3.3Å; I107-L111 WeakPolarHBondContact O-CG 3.47Å; I107-L111 PolarHBondContact O-N 3.2Å; V108-L111 PolarHBondContact O-N 3.05Å; L111-M113 PolarHBondContact O-N 2.91Å; L111-M113 VanDerWaalsContact O-N 3.12Å; L111-S114 WeakPolarHBondContact O-CB 3.32Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 PolarHBondContact O-OG 3.1Å; L111-L116 HydrophobicContact CD2-CD1 3.74Å; L111-V118 HydrophobicContact CB-CG2 4Å |
| 112 | S | 89.3 | Confident | 91.8 | Very high | 51 Ų | 51 | 56.1 Ų | 56.1 | 36% | 0.357 | 33% | 0.326 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.7 | -15.2 | 175.3 | -65.2 | 0 | 0 | 0 | 0 | 113.8 | V108 K109 V110 | V108-S112 WeakPolarHBondContact O-CB 3.12Å; V108-S112 PolarHBondContact O-N 2.83Å; V108-S112 PolarHBondContact O-OG 3.22Å; K109-S112 PolarHBondContact O-N 3.3Å; V110-S112 VanDerWaalsContact C-N 3.31Å; V110-S112 PolarHBondContact O-N 3.49Å |
| 113 | M | 86.3 | Confident | 91.7 | Very high | 66 Ų | 66 | 56.9 Ų | 56.9 | 33% | 0.325 | 33% | 0.331 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | -7 | 174.2 | -71.9 | 173.8 | -92.8 | 0 | 0 | 113.6 | N47 D50 L51 K109 V110 L111 | N47-M113 VanDerWaalsContact O-SD 3.42Å; D50-M113 HydrophobicContact CB-CE 3.75Å; D50-M113 HydrophobicContact CB-SD 3.46Å; D50-M113 WeakPolarHBondContact CB-SD 3.49Å; D50-M113 WeakPolarHBondContact O-CE 3.29Å; L51-M113 HydrophobicContact CB-CE 4.35Å; L51-M113 HydrophobicContact CB-SD 3.83Å; L51-M113 PolarHBondContact N-SD 3.44Å; K109-M113 HydrophobicContact CG-CE 3.78Å; K109-M113 WeakPolarHBondContact O-CE 3.23Å; V110-M113 PolarHBondContact O-N 2.73Å; V110-M113 VanDerWaalsContact O-N 3.08Å; L111-M113 PolarHBondContact O-N 2.91Å; L111-M113 VanDerWaalsContact O-N 3.12Å |
| 114 | S | 84.1 | Confident | 91.5 | Very high | 37 Ų | 37 | 58.9 Ų | 58.9 | 26% | 0.259 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -84.2 | 165.6 | 177.5 | 81.3 | 0 | 0 | 0 | 0 | 110.9 | V110 L111 L116 | V110-S114 PolarHBondContact O-N 2.73Å; L111-S114 WeakPolarHBondContact O-CB 3.32Å; L111-S114 PolarHBondContact O-N 3.41Å; L111-S114 PolarHBondContact O-OG 3.1Å; S114-L116 PolarHBondContact O-N 2.94Å; S114-L116 VanDerWaalsContact O-N 3.08Å; S114-L116 WeakPolarHBondContact OG-CB 3.38Å; S114-L116 WeakPolarHBondContact OG-CD1 3.35Å; S114-L116 WeakPolarHBondContact OG-CG 3.27Å; S114-L116 PolarHBondContact OG-N 3.17Å |
| 115 | P | 82.9 | Confident | 91.5 | Very high | 138 Ų | 138 | 59.1 Ų | 59.1 | 90% | 0.896 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -71.1 | 3.4 | 175.8 | 30.9 | -36.1 | 0 | 0 | 0 | 113.7 | ||
| 116 | L | 87 | Confident | 91.5 | Very high | 102 Ų | 102 | 59.2 Ų | 59.2 | 53% | 0.534 | 34% | 0.34 | S | S | . | . | S | Bend | trans | -70.5 | 148 | -179.2 | -64.6 | 171.1 | 0 | 0 | 0 | 111.3 | L111 S114 V118 | L111-L116 HydrophobicContact CD2-CD1 3.74Å; S114-L116 PolarHBondContact O-N 2.94Å; S114-L116 VanDerWaalsContact O-N 3.08Å; S114-L116 WeakPolarHBondContact OG-CB 3.38Å; S114-L116 WeakPolarHBondContact OG-CD1 3.35Å; S114-L116 WeakPolarHBondContact OG-CG 3.27Å; S114-L116 PolarHBondContact OG-N 3.17Å; L116-V118 HydrophobicContact CB-CG2 4.26Å; L116-V118 PolarHBondContact O-N 3.05Å |
| 117 | P | 87.3 | Confident | 91.5 | Very high | 131 Ų | 131 | 59.6 Ų | 59.6 | 85% | 0.851 | 34% | 0.342 | S | S | * | . | trans | -76.2 | 70.2 | 179.9 | 32.9 | -36.2 | 0 | 0 | 0 | 111.4 | ||||
| 118 | V | 89.7 | Confident | 91.6 | Very high | 36 Ų | 36 | 56 Ų | 56 | 22% | 0.218 | 33% | 0.325 | C | S | . | . | P | Polyproline II helix | trans | -81 | 131.2 | 178.1 | -176.9 | 0 | 0 | 0 | 0 | 110.3 | L111 L116 L120 L122 | L111-V118 HydrophobicContact CB-CG2 4Å; L116-V118 HydrophobicContact CB-CG2 4.26Å; L116-V118 PolarHBondContact O-N 3.05Å; V118-L120 PolarHBondContact O-N 2.87Å; V118-L122 HydrophobicContact CG1-CB 4.11Å; V118-L122 HydrophobicContact CG1-CD2 3.73Å |
| 119 | P | 90.3 | Very high | 91.7 | Very high | 86 Ų | 86 | 59.2 Ų | 59.2 | 56% | 0.558 | 34% | 0.341 | S | S | * | . | P | Polyproline II helix | trans | -55.4 | 136 | 176.2 | -25.5 | 32.9 | 0 | 0 | 0 | 112.9 | G121 L122 | P119-G121 PolarHBondContact O-N 3.47Å; P119-L122 HydrophobicContact CB-CB 4.47Å; P119-L122 WeakPolarHBondContact O-CB 3.48Å; P119-L122 PolarHBondContact O-N 2.98Å |
| 120 | L | 87.1 | Confident | 91.9 | Very high | 136 Ų | 136 | 58.4 Ų | 58.4 | 71% | 0.712 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.5 | 125.7 | 177.2 | -68.4 | 170.4 | 0 | 0 | 0 | 110.8 | V118 R174 | V118-L120 PolarHBondContact O-N 2.87Å; L120-R174 PolarHBondContact O-NH2 3.37Å |
| 121 | G | 89.6 | Confident | 92 | Very high | 7 Ų | 7 | 56.6 Ų | 56.6 | 7% | 0.072 | 33% | 0.326 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 88.1 | 1.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.9 | P119 D123 R124 L125 | P119-G121 PolarHBondContact O-N 3.47Å; G121-D123 WeakPolarHBondContact CA-OD1 3.41Å; G121-D123 PolarHBondContact O-N 3.21Å; G121-R124 PolarHBondContact O-N 3.23Å; G121-L125 PolarHBondContact O-N 3.05Å |
| 122 | L | 93.9 | Very high | 92.2 | Very high | 58 Ų | 58 | 57.9 Ų | 57.9 | 30% | 0.304 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -60.3 | -34.3 | 175 | -172.1 | 65.5 | 0 | 0 | 0 | 111.8 | V108 V118 P119 R124 L125 A126 | V108-L122 HydrophobicContact CG1-CB 4.09Å; V108-L122 HydrophobicContact CG1-CD2 3.95Å; V108-L122 HydrophobicContact CG1-CG 3.68Å; V108-L122 HydrophobicContact CG2-CD2 4.4Å; V108-L122 HydrophobicContact CG2-CG 4.5Å; V118-L122 HydrophobicContact CG1-CB 4.11Å; V118-L122 HydrophobicContact CG1-CD2 3.73Å; P119-L122 HydrophobicContact CB-CB 4.47Å; P119-L122 WeakPolarHBondContact O-CB 3.48Å; P119-L122 PolarHBondContact O-N 2.98Å; L122-R124 PolarHBondContact O-N 3.35Å; L122-L125 HydrophobicContact CD1-CD2 4.42Å; L122-L125 PolarHBondContact O-N 3.22Å; L122-A126 WeakPolarHBondContact O-CB 3.3Å; L122-A126 PolarHBondContact O-N 3.49Å |
| 123 | D | 93.5 | Very high | 92.6 | Very high | 43 Ų | 43 | 57 Ų | 57 | 23% | 0.23 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -58 | -45 | 174.8 | 65.4 | -45 | 0 | 0 | 0 | 112.4 | W105 V108 G121 L127 | W105-D123 VanDerWaalsContact CD1-O 3.24Å; W105-D123 PolarHBondContact NE1-O 3.44Å; V108-D123 HydrophobicContact CG1-CB 4.38Å; G121-D123 WeakPolarHBondContact CA-OD1 3.41Å; G121-D123 PolarHBondContact O-N 3.21Å; D123-L127 WeakPolarHBondContact O-CB 3.41Å; D123-L127 PolarHBondContact O-N 3.18Å; D123-L127 VanDerWaalsContact O-N 3.09Å |
| 124 | R | 95.1 | Very high | 93 | Very high | 51 Ų | 51 | 53.8 Ų | 53.8 | 19% | 0.192 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -70.9 | -41.2 | 177.4 | -70.5 | 167.2 | 176.5 | 81.8 | -5.8 | 111.7 | G121 L122 L127 S128 T167 E170 V171 | G121-R124 PolarHBondContact O-N 3.23Å; L122-R124 PolarHBondContact O-N 3.35Å; R124-L127 PolarHBondContact O-N 3.11Å; R124-S128 WeakPolarHBondContact O-CB 3.31Å; R124-S128 PolarHBondContact O-N 3.32Å; R124-T167 HydrophobicContact CB-CG2 4.31Å; R124-T167 VanDerWaalsContact O-CG2 3.26Å; R124-T167 WeakPolarHBondContact O-CG2 3.43Å; R124-E170 WeakPolarHBondContact CD-O 3.36Å; R124-E170 HydrophobicContact CG-CB 4.37Å; R124-E170 IonicContact NE-OE2 3.9Å; R124-V171 HydrophobicContact CB-CG2 3.82Å |
| 125 | L | 97.1 | Very high | 93.4 | Very high | 66 Ų | 66 | 52 Ų | 52 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -61.7 | -45.7 | 176.6 | -179.4 | 61.9 | 0 | 0 | 0 | 111.1 | G121 L122 L127 S128 L129 L168 V171 | G121-L125 PolarHBondContact O-N 3.05Å; L122-L125 HydrophobicContact CD1-CD2 4.42Å; L122-L125 PolarHBondContact O-N 3.22Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.48Å; L125-S128 PolarHBondContact O-N 2.91Å; L125-L129 HydrophobicContact CD1-CD1 4.45Å; L125-L129 HydrophobicContact CD1-CG 4.49Å; L125-L129 HydrophobicContact CG-CD1 4.27Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.5Å; L125-L168 HydrophobicContact CD1-CD1 4Å; L125-V171 HydrophobicContact CB-CG2 4.12Å |
| 126 | A | 97.7 | Very high | 93.9 | Very high | 12 Ų | 12 | 50 Ų | 50 | 10% | 0.099 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.6 | -40.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | W105 V108 L122 L129 A130 | W105-A126 HydrophobicContact CB-CB 4.1Å; V108-A126 HydrophobicContact CB-CB 4.11Å; V108-A126 HydrophobicContact CG1-CB 4.17Å; V108-A126 HydrophobicContact CG2-CB 4.05Å; L122-A126 WeakPolarHBondContact O-CB 3.3Å; L122-A126 PolarHBondContact O-N 3.49Å; A126-L129 PolarHBondContact O-N 2.81Å; A126-A130 WeakPolarHBondContact O-CB 3.31Å; A126-A130 PolarHBondContact O-N 3.44Å |
| 127 | L | 97.5 | Very high | 94.1 | Very high | 7 Ų | 7 | 46.6 Ų | 46.6 | 4% | 0.037 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.6 | -45.2 | 175.1 | -176.3 | 54.6 | 0 | 0 | 0 | 112.4 | W21 W105 D123 R124 L125 L129 A130 F131 T167 | W21-L127 HydrophobicContact CH2-CD2 4.09Å; W105-L127 HydrophobicContact CD2-CB 4.34Å; W105-L127 HydrophobicContact CD2-CD1 3.68Å; W105-L127 HydrophobicContact CE3-CD1 3.92Å; W105-L127 HydrophobicContact CG-CB 4.1Å; W105-L127 HydrophobicContact CG-CD1 4.18Å; W105-L127 HydrophobicContact CH2-CD1 4.04Å; W105-L127 HydrophobicContact CZ2-CD1 3.82Å; W105-L127 HydrophobicContact CZ2-CD2 4.07Å; W105-L127 HydrophobicContact CZ2-CG 4.43Å; W105-L127 HydrophobicContact CZ3-CD1 4.07Å; D123-L127 WeakPolarHBondContact O-CB 3.41Å; D123-L127 PolarHBondContact O-N 3.18Å; D123-L127 VanDerWaalsContact O-N 3.09Å; R124-L127 PolarHBondContact O-N 3.11Å; L125-L127 VanDerWaalsContact C-N 3.34Å; L125-L127 PolarHBondContact O-N 3.48Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 2.9Å; L127-A130 PolarHBondContact O-N 2.99Å; L127-F131 HydrophobicContact CD1-CD2 3.67Å; L127-F131 HydrophobicContact CD1-CE2 3.33Å; L127-F131 HydrophobicContact CD1-CZ 4.35Å; L127-F131 HydrophobicContact CD2-CE2 4.38Å; L127-F131 HydrophobicContact CG-CD2 3.92Å; L127-F131 HydrophobicContact CG-CE2 3.8Å; L127-F131 WeakPolarHBondContact O-CD2 3.35Å; L127-F131 PolarHBondContact O-N 3.35Å; L127-T167 HydrophobicContact CB-CG2 3.91Å; L127-T167 HydrophobicContact CD2-CG2 3.97Å; L127-T167 HydrophobicContact CG-CG2 3.95Å |
| 128 | S | 98.1 | Very high | 93.9 | Very high | 8 Ų | 8 | 41.4 Ų | 41.4 | 6% | 0.056 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59.1 | -44.7 | 176.6 | 176.4 | 0 | 0 | 0 | 0 | 111.3 | R124 L125 A130 F131 F132 A164 L168 | R124-S128 WeakPolarHBondContact O-CB 3.31Å; R124-S128 PolarHBondContact O-N 3.32Å; L125-S128 PolarHBondContact O-N 2.91Å; S128-A130 PolarHBondContact O-N 3.37Å; S128-F131 PolarHBondContact O-N 3.27Å; S128-F132 WeakPolarHBondContact O-CB 3.46Å; S128-F132 PolarHBondContact O-N 2.87Å; S128-A164 WeakPolarHBondContact CB-O 3.26Å; S128-A164 PolarHBondContact OG-O 2.95Å; S128-L168 WeakPolarHBondContact OG-CB 3.41Å |
| 129 | L | 98.1 | Very high | 93.6 | Very high | 83 Ų | 83 | 45 Ų | 45 | 44% | 0.435 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -63.7 | -39.2 | 175.4 | -73.5 | 172.6 | 0 | 0 | 0 | 112.4 | L125 A126 L127 F132 I133 | L125-L129 HydrophobicContact CD1-CD1 4.45Å; L125-L129 HydrophobicContact CD1-CG 4.49Å; L125-L129 HydrophobicContact CG-CD1 4.27Å; L125-L129 WeakPolarHBondContact O-CG 3.5Å; L125-L129 PolarHBondContact O-N 3.5Å; A126-L129 PolarHBondContact O-N 2.81Å; L127-L129 VanDerWaalsContact C-N 3.32Å; L127-L129 PolarHBondContact O-N 2.9Å; L129-F132 PolarHBondContact O-N 3.44Å; L129-I133 WeakPolarHBondContact O-CB 3.46Å; L129-I133 VanDerWaalsContact O-CG1 3.29Å; L129-I133 WeakPolarHBondContact O-CG1 3.39Å; L129-I133 PolarHBondContact O-N 3.26Å |
| 130 | A | 97.8 | Very high | 93.2 | Very high | 1 Ų | 1 | 46.1 Ų | 46.1 | 1% | 0.008 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61.1 | -48.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | F101 F102 A126 L127 S128 F132 I133 E134 | F101-A130 HydrophobicContact CB-CB 4.29Å; F102-A130 HydrophobicContact CD1-CB 3.83Å; F102-A130 HydrophobicContact CD2-CB 4.47Å; F102-A130 HydrophobicContact CE1-CB 3.9Å; F102-A130 HydrophobicContact CG-CB 4.12Å; F102-A130 HydrophobicContact CZ-CB 4.26Å; A126-A130 WeakPolarHBondContact O-CB 3.31Å; A126-A130 PolarHBondContact O-N 3.44Å; L127-A130 PolarHBondContact O-N 2.99Å; S128-A130 PolarHBondContact O-N 3.37Å; A130-F132 PolarHBondContact O-N 3.05Å; A130-I133 PolarHBondContact O-N 3.13Å; A130-E134 WeakPolarHBondContact O-CB 3.16Å; A130-E134 PolarHBondContact O-N 2.96Å |
| 131 | F | 97.6 | Very high | 92.6 | Very high | 1 Ų | 1 | 41.3 Ų | 41.3 | 0% | 0.004 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65.3 | -36.8 | 174.7 | -78.3 | -67.8 | 0 | 0 | 0 | 112.7 | F14 F102 L127 S128 E134 G135 V160 V163 A164 | F14-F131 HydrophobicContact CD1-CE1 4.02Å; F14-F131 HydrophobicContact CD1-CZ 4.32Å; F14-F131 AromaticContact CE1-CE1 3.57Å; F14-F131 HydrophobicContact CE1-CE1 3.57Å; F14-F131 HydrophobicContact CE1-CZ 4.06Å; F14-F131 HydrophobicContact CZ-CE1 4.34Å; F102-F131 HydrophobicContact CE1-CE1 4.3Å; F102-F131 HydrophobicContact CE1-CE2 4.47Å; F102-F131 HydrophobicContact CE1-CZ 4.28Å; F102-F131 HydrophobicContact CZ-CD1 4.09Å; F102-F131 HydrophobicContact CZ-CE1 4.1Å; F102-F131 HydrophobicContact CZ-CG 4.5Å; L127-F131 HydrophobicContact CD1-CD2 3.67Å; L127-F131 HydrophobicContact CD1-CE2 3.33Å; L127-F131 HydrophobicContact CD1-CZ 4.35Å; L127-F131 HydrophobicContact CD2-CE2 4.38Å; L127-F131 HydrophobicContact CG-CD2 3.92Å; L127-F131 HydrophobicContact CG-CE2 3.8Å; L127-F131 WeakPolarHBondContact O-CD2 3.35Å; L127-F131 PolarHBondContact O-N 3.35Å; S128-F131 PolarHBondContact O-N 3.27Å; F131-E134 VanDerWaalsContact CD1-OE2 3.24Å; F131-E134 WeakPolarHBondContact CD1-OE2 3.22Å; F131-E134 WeakPolarHBondContact O-CB 3.38Å; F131-E134 PolarHBondContact O-N 3.47Å; F131-G135 PolarHBondContact O-N 3.07Å; F131-V160 WeakPolarHBondContact O-CG1 3.42Å; F131-V163 HydrophobicContact CB-CG1 4.46Å; F131-V163 HydrophobicContact CD1-CB 4.32Å; F131-V163 HydrophobicContact CD1-CG1 3.93Å; F131-V163 HydrophobicContact CD2-CB 4.39Å; F131-V163 HydrophobicContact CD2-CG1 3.36Å; F131-V163 HydrophobicContact CE1-CG1 3.93Å; F131-V163 HydrophobicContact CE2-CG1 3.33Å; F131-V163 HydrophobicContact CG-CB 4.25Å; F131-V163 HydrophobicContact CG-CG1 3.67Å; F131-V163 HydrophobicContact CZ-CG1 3.65Å; F131-A164 HydrophobicContact CB-CB 3.85Å |
| 132 | F | 97.4 | Very high | 91.7 | Very high | 95 Ų | 95 | 41.2 Ų | 41.2 | 42% | 0.417 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -62.7 | -46 | 175.6 | 178.9 | -92.8 | 0 | 0 | 0 | 111.6 | S128 L129 A130 G135 F136 F161 A164 | S128-F132 WeakPolarHBondContact O-CB 3.46Å; S128-F132 PolarHBondContact O-N 2.87Å; L129-F132 PolarHBondContact O-N 3.44Å; A130-F132 PolarHBondContact O-N 3.05Å; F132-G135 PolarHBondContact O-N 3.47Å; F132-F136 HydrophobicContact CE1-CB 4.39Å; F132-F136 VanDerWaalsContact O-CB 3.24Å; F132-F136 WeakPolarHBondContact O-CB 3.49Å; F132-F136 PolarHBondContact O-N 2.98Å; F132-F161 HydrophobicContact CD2-CD1 4.13Å; F132-F161 AromaticContact CD2-CE1 3.77Å; F132-F161 HydrophobicContact CD2-CE1 3.77Å; F132-F161 HydrophobicContact CE2-CD1 4.5Å; F132-F161 AromaticContact CE2-CE1 3.9Å; F132-F161 HydrophobicContact CE2-CE1 3.9Å; F132-A164 HydrophobicContact CB-CB 4.24Å |
| 133 | I | 96.6 | Very high | 90.3 | Very high | 32 Ų | 32 | 43.3 Ų | 43.3 | 16% | 0.164 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -65.8 | -39.3 | 177.8 | -68.4 | -65.7 | 0 | 0 | 0 | 111.3 | T97 F101 L129 A130 F136 L137 | T97-I133 HydrophobicContact CG2-CG2 4.45Å; F101-I133 HydrophobicContact CD1-CG1 3.98Å; F101-I133 HydrophobicContact CD2-CB 4.24Å; F101-I133 HydrophobicContact CD2-CG1 4.13Å; F101-I133 HydrophobicContact CD2-CG2 3.69Å; F101-I133 HydrophobicContact CE1-CG1 3.96Å; F101-I133 HydrophobicContact CE2-CD1 4.41Å; F101-I133 HydrophobicContact CE2-CG1 4.11Å; F101-I133 HydrophobicContact CE2-CG2 4.03Å; F101-I133 HydrophobicContact CG-CB 4.23Å; F101-I133 HydrophobicContact CG-CG1 4.06Å; F101-I133 HydrophobicContact CG-CG2 4.15Å; F101-I133 HydrophobicContact CZ-CD1 4.23Å; F101-I133 HydrophobicContact CZ-CG1 4.02Å; L129-I133 WeakPolarHBondContact O-CB 3.46Å; L129-I133 VanDerWaalsContact O-CG1 3.29Å; L129-I133 WeakPolarHBondContact O-CG1 3.39Å; L129-I133 PolarHBondContact O-N 3.26Å; A130-I133 PolarHBondContact O-N 3.13Å; I133-F136 PolarHBondContact O-N 2.81Å; I133-L137 HydrophobicContact CG2-CD1 3.71Å; I133-L137 HydrophobicContact CG2-CG 4.22Å; I133-L137 WeakPolarHBondContact O-CB 3.45Å; I133-L137 VanDerWaalsContact O-CG 3.32Å; I133-L137 WeakPolarHBondContact O-CG 3.29Å; I133-L137 PolarHBondContact O-N 3.34Å |
| 134 | E | 94.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 50.4 Ų | 50.4 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -53.7 | -55.8 | 169.9 | 166.8 | 174.9 | -153.5 | 0 | 0 | 111 | F14 M98 F102 A130 F131 F136 L137 F138 V160 Q190 | F14-E134 WeakPolarHBondContact CE2-OE1 2.97Å; F14-E134 VanDerWaalsContact CZ-OE1 3.26Å; F14-E134 WeakPolarHBondContact CZ-OE1 3.25Å; F14-E134 WeakPolarHBondContact CZ-OE2 3.42Å; M98-E134 HydrophobicContact CE-CB 3.96Å; M98-E134 HydrophobicContact CE-CG 3.6Å; F102-E134 HydrophobicContact CE2-CB 4.29Å; F102-E134 WeakPolarHBondContact CZ-OE2 3.5Å; A130-E134 WeakPolarHBondContact O-CB 3.16Å; A130-E134 PolarHBondContact O-N 2.96Å; F131-E134 VanDerWaalsContact CD1-OE2 3.24Å; F131-E134 WeakPolarHBondContact CD1-OE2 3.22Å; F131-E134 WeakPolarHBondContact O-CB 3.38Å; F131-E134 PolarHBondContact O-N 3.47Å; E134-F136 VanDerWaalsContact C-N 3.35Å; E134-F136 PolarHBondContact O-N 3.39Å; E134-L137 PolarHBondContact O-N 2.92Å; E134-F138 HydrophobicContact CG-CD2 3.63Å; E134-F138 HydrophobicContact CG-CE2 3.58Å; E134-F138 WeakPolarHBondContact O-CB 3.42Å; E134-F138 WeakPolarHBondContact O-CD2 3.48Å; E134-F138 PolarHBondContact O-N 2.82Å; E134-V160 HydrophobicContact CB-CG1 4.4Å; E134-V160 HydrophobicContact CG-CG1 4.03Å; E134-Q190 PolarHBondContact OE1-NE2 3.42Å; E134-Q190 PolarHBondContact OE2-NE2 3.28Å |
| 135 | G | 92.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -62.2 | -41 | -179.5 | 0 | 0 | 0 | 0 | 0 | 112.9 | F131 F132 F138 Y139 | F131-G135 PolarHBondContact O-N 3.07Å; F132-G135 PolarHBondContact O-N 3.47Å; G135-F138 PolarHBondContact O-N 2.7Å; G135-Y139 PolarHBondContact O-N 2.83Å |
| 136 | F | 92.9 | Very high | 88.1 | Confident | 96 Ų | 96 | 50.7 Ų | 50.7 | 42% | 0.421 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -64.1 | -45.5 | 179.2 | -179.3 | -98.2 | 0 | 0 | 0 | 112.4 | F132 I133 E134 Y139 F140 | F132-F136 HydrophobicContact CE1-CB 4.39Å; F132-F136 VanDerWaalsContact O-CB 3.24Å; F132-F136 WeakPolarHBondContact O-CB 3.49Å; F132-F136 PolarHBondContact O-N 2.98Å; I133-F136 PolarHBondContact O-N 2.81Å; E134-F136 VanDerWaalsContact C-N 3.35Å; E134-F136 PolarHBondContact O-N 3.39Å; F136-Y139 PolarHBondContact O-N 3.49Å; F136-F140 HydrophobicContact CD2-CE2 4.32Å; F136-F140 HydrophobicContact CE1-CE2 4.39Å; F136-F140 HydrophobicContact CE2-CD2 4.48Å; F136-F140 AromaticContact CE2-CE2 3.73Å; F136-F140 HydrophobicContact CE2-CE2 3.73Å; F136-F140 HydrophobicContact CZ-CD2 4.32Å; F136-F140 AromaticContact CZ-CE2 3.77Å; F136-F140 HydrophobicContact CZ-CE2 3.77Å; F136-F140 WeakPolarHBondContact O-CD2 3.33Å |
| 137 | L | 90.7 | Very high | 87.8 | Confident | 30 Ų | 30 | 53.9 Ų | 53.9 | 16% | 0.157 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.2 | -39.7 | 178 | -70.5 | 173.1 | 0 | 0 | 0 | 111.4 | Q94 T97 M98 I133 E134 Y139 F140 H141 | Q94-L137 HydrophobicContact CG-CD2 4.33Å; T97-L137 HydrophobicContact CG2-CD1 3.88Å; M98-L137 HydrophobicContact CG-CB 4.44Å; M98-L137 HydrophobicContact CG-CD1 3.62Å; I133-L137 HydrophobicContact CG2-CD1 3.71Å; I133-L137 HydrophobicContact CG2-CG 4.22Å; I133-L137 WeakPolarHBondContact O-CB 3.45Å; I133-L137 VanDerWaalsContact O-CG 3.32Å; I133-L137 WeakPolarHBondContact O-CG 3.29Å; I133-L137 PolarHBondContact O-N 3.34Å; E134-L137 PolarHBondContact O-N 2.92Å; L137-Y139 VanDerWaalsContact C-N 3.35Å; L137-Y139 PolarHBondContact O-N 3.23Å; L137-F140 PolarHBondContact O-N 2.98Å; L137-H141 PolarHBondContact O-N 3.28Å |
| 138 | F | 83.1 | Confident | 87.6 | Confident | 22 Ų | 22 | 53.6 Ų | 53.6 | 10% | 0.096 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -66.4 | -33.2 | 175.6 | -82.4 | -53 | 0 | 0 | 0 | 113.6 | M98 E134 G135 F140 H141 F157 F194 | M98-F138 HydrophobicContact CE-CD2 4.23Å; M98-F138 HydrophobicContact CE-CE2 3.51Å; M98-F138 HydrophobicContact CE-CZ 3.77Å; M98-F138 HydrophobicContact SD-CE2 4.16Å; M98-F138 HydrophobicContact SD-CZ 4.17Å; E134-F138 HydrophobicContact CG-CD2 3.63Å; E134-F138 HydrophobicContact CG-CE2 3.58Å; E134-F138 WeakPolarHBondContact O-CB 3.42Å; E134-F138 WeakPolarHBondContact O-CD2 3.48Å; E134-F138 PolarHBondContact O-N 2.82Å; G135-F138 PolarHBondContact O-N 2.7Å; F138-F140 VanDerWaalsContact C-N 3.28Å; F138-F140 PolarHBondContact O-N 2.83Å; F138-H141 WeakPolarHBondContact O-CB 3.5Å; F138-H141 PolarHBondContact O-N 3.48Å; F138-F157 HydrophobicContact CB-CD1 4.34Å; F138-F157 HydrophobicContact CB-CE1 3.67Å; F138-F157 HydrophobicContact CB-CZ 4.48Å; F138-F194 HydrophobicContact CE2-CE1 4.29Å; F138-F194 AromaticContact CE2-CZ 3.75Å; F138-F194 HydrophobicContact CE2-CZ 3.75Å; F138-F194 AromaticContact CZ-CE1 3.95Å; F138-F194 HydrophobicContact CZ-CE1 3.95Å; F138-F194 AromaticContact CZ-CZ 3.82Å; F138-F194 HydrophobicContact CZ-CZ 3.82Å |
| 139 | Y | 85.2 | Confident | 87.3 | Confident | 111 Ų | 111 | 53.8 Ų | 53.8 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -55.8 | -46 | 177.3 | 179.1 | -96.9 | 0 | 0 | 0 | 111.7 | G135 F136 L137 H141 H143 F157 | G135-Y139 PolarHBondContact O-N 2.83Å; F136-Y139 PolarHBondContact O-N 3.49Å; L137-Y139 VanDerWaalsContact C-N 3.35Å; L137-Y139 PolarHBondContact O-N 3.23Å; Y139-H141 VanDerWaalsContact C-N 3.26Å; Y139-H141 PolarHBondContact O-N 3.28Å; Y139-H143 AromaticContact CD1-NE2 3.97Å; Y139-H143 AromaticContact CE1-CE1 3.84Å; Y139-H143 AromaticContact CE1-NE2 3.63Å; Y139-F157 HydrophobicContact CD2-CD2 4.11Å; Y139-F157 AromaticContact CD2-CE2 3.92Å; Y139-F157 HydrophobicContact CD2-CE2 3.92Å |
| 140 | F | 81.5 | Confident | 87 | Confident | 110 Ų | 110 | 52.5 Ų | 52.5 | 48% | 0.482 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -4.8 | 178.5 | -68.3 | -74.7 | 0 | 0 | 0 | 114.1 | F136 L137 F138 H143 | F136-F140 HydrophobicContact CD2-CE2 4.32Å; F136-F140 HydrophobicContact CE1-CE2 4.39Å; F136-F140 HydrophobicContact CE2-CD2 4.48Å; F136-F140 AromaticContact CE2-CE2 3.73Å; F136-F140 HydrophobicContact CE2-CE2 3.73Å; F136-F140 HydrophobicContact CZ-CD2 4.32Å; F136-F140 AromaticContact CZ-CE2 3.77Å; F136-F140 HydrophobicContact CZ-CE2 3.77Å; F136-F140 WeakPolarHBondContact O-CD2 3.33Å; L137-F140 PolarHBondContact O-N 2.98Å; F138-F140 VanDerWaalsContact C-N 3.28Å; F138-F140 PolarHBondContact O-N 2.83Å; F140-H143 AromaticContact CD1-CD2 3.81Å; F140-H143 AromaticContact CD1-NE2 3.52Å; F140-H143 AromaticContact CE1-NE2 3.95Å |
| 141 | H | 73.5 | Confident | 86.9 | Confident | 34 Ų | 34 | 54.8 Ų | 54.8 | 16% | 0.157 | 26% | 0.264 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76.5 | -28 | 175.4 | -179.7 | 84.4 | 0 | 0 | 0 | 113.2 | M91 L137 F138 Y139 R145 | M91-H141 PolarHBondContact SD-CE1 2.91Å; M91-H141 PolarHBondContact SD-ND1 3.01Å; L137-H141 PolarHBondContact O-N 3.28Å; F138-H141 WeakPolarHBondContact O-CB 3.5Å; F138-H141 PolarHBondContact O-N 3.48Å; Y139-H141 VanDerWaalsContact C-N 3.26Å; Y139-H141 PolarHBondContact O-N 3.28Å; H141-R145 PolarHBondContact NE2-NH2 3.38Å; H141-R145 VanDerWaalsContact NE2-NH2 3.16Å |
| 142 | V | 70.4 | Confident | 86.8 | Confident | 5 Ų | 5 | 54.8 Ų | 54.8 | 3% | 0.03 | 26% | 0.264 | C | S | . | . | S | Bend | trans | -102.6 | -2.5 | -163 | -174.6 | 0 | 0 | 0 | 0 | 113.2 | M144 T150 H153 F157 | V142-M144 PolarHBondContact O-N 3.39Å; V142-T150 HydrophobicContact CG1-CG2 4.32Å; V142-H153 HydrophobicContact CB-CB 4.49Å; V142-H153 HydrophobicContact CG1-CB 3.97Å; V142-H153 HydrophobicContact CG2-CB 3.75Å; V142-F157 HydrophobicContact CB-CZ 4.46Å; V142-F157 HydrophobicContact CG2-CZ 3.96Å |
| 143 | H | 65.5 | Low | 86.6 | Confident | 102 Ų | 102 | 50.5 Ų | 50.5 | 47% | 0.472 | 25% | 0.245 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | 135.6 | 178.3 | -67.4 | -55.8 | 0 | 0 | 0 | 111.4 | Y139 F140 | Y139-H143 AromaticContact CD1-NE2 3.97Å; Y139-H143 AromaticContact CE1-CE1 3.84Å; Y139-H143 AromaticContact CE1-NE2 3.63Å; F140-H143 AromaticContact CD1-CD2 3.81Å; F140-H143 AromaticContact CD1-NE2 3.52Å; F140-H143 AromaticContact CE1-NE2 3.95Å |
| 144 | M | 67.8 | Low | 86.4 | Confident | 192 Ų | 192 | 50.9 Ų | 50.9 | 95% | 0.946 | 25% | 0.251 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.3 | 27.5 | 177.3 | -53.1 | -69.4 | -70.3 | 0 | 0 | 117 | V142 | V142-M144 PolarHBondContact O-N 3.39Š|
| 145 | R | 82.3 | Confident | 86.5 | Confident | 72 Ų | 72 | 51.7 Ų | 51.7 | 27% | 0.272 | 26% | 0.255 | S | S | . | . | trans | -102.4 | 164.1 | 176.3 | -61.7 | -143.3 | -174.8 | -171.4 | 8.7 | 113.3 | H141 D149 T150 | H141-R145 PolarHBondContact NE2-NH2 3.38Å; H141-R145 VanDerWaalsContact NE2-NH2 3.16Å; R145-D149 HydrophobicContact CB-CB 4.06Å; R145-D149 VanDerWaalsContact CD-CG 3.48Å; R145-D149 WeakPolarHBondContact CD-OD2 3.37Å; R145-D149 IonicContact CZ-OD2 2.93Å; R145-D149 IonicContact NE-OD2 3.88Å; R145-D149 IonicContact NH1-OD2 2.86Å; R145-D149 PolarHBondContact NH1-OD2 3.08Å; R145-D149 VanDerWaalsContact NH1-OD2 3.09Å; R145-T150 PolarHBondContact O-OG1 3.46Å | ||
| 146 | P | 89.8 | Confident | 86.6 | Confident | 52 Ų | 52 | 51.7 Ų | 51.7 | 34% | 0.338 | 26% | 0.255 | S | S | . | . | trans | -53 | 156.1 | 174.1 | -28.1 | 37.2 | 0 | 0 | 0 | 112.8 | L148 D149 T150 L211 | P146-L148 PolarHBondContact O-N 2.99Å; P146-D149 HydrophobicContact CB-CB 4.48Å; P146-D149 PolarHBondContact O-N 3.26Å; P146-D149 VanDerWaalsContact O-N 3.16Å; P146-T150 PolarHBondContact O-N 3.12Å; P146-T150 PolarHBondContact O-OG1 2.71Å; P146-T150 VanDerWaalsContact O-OG1 3.14Å; P146-L211 HydrophobicContact CB-CB 3.7Å; P146-L211 HydrophobicContact CB-CD1 3.98Å; P146-L211 HydrophobicContact CB-CG 4.49Å; P146-L211 HydrophobicContact CG-CB 4.42Å; P146-L211 HydrophobicContact CG-CD1 3.84Å | ||
| 147 | P | 91.4 | Very high | 86.6 | Confident | 79 Ų | 79 | 48.2 Ų | 48.2 | 51% | 0.513 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -53.6 | -46.3 | -175.3 | -27.8 | 34.6 | 0 | 0 | 0 | 114 | T150 H151 | P147-T150 PolarHBondContact O-N 3.49Å; P147-H151 WeakPolarHBondContact O-CB 3.26Å; P147-H151 PolarHBondContact O-N 2.8Å |
| 148 | L | 93.1 | Very high | 86.7 | Confident | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.4 | -40.9 | 179.9 | -174.1 | 61.9 | 0 | 0 | 0 | 112.7 | P146 T150 H151 I152 V200 W209 L211 N216 V220 | P146-L148 PolarHBondContact O-N 2.99Å; L148-T150 VanDerWaalsContact C-N 3.35Å; L148-H151 PolarHBondContact O-N 3.38Å; L148-I152 WeakPolarHBondContact O-CB 3.49Å; L148-I152 WeakPolarHBondContact O-CG2 3.36Å; L148-I152 PolarHBondContact O-N 3.36Å; L148-V200 HydrophobicContact CD2-CG1 3.95Å; L148-V200 HydrophobicContact CG-CG1 4.44Å; L148-W209 HydrophobicContact CD2-CB 4.38Å; L148-W209 HydrophobicContact CD2-CE3 4.42Å; L148-L211 HydrophobicContact CB-CB 4.28Å; L148-L211 HydrophobicContact CB-CD2 4.26Å; L148-L211 WeakPolarHBondContact CB-O 3.21Å; L148-L211 HydrophobicContact CD2-CD2 3.92Å; L148-L211 HydrophobicContact CG-CD2 4.46Å; L148-L211 PolarHBondContact N-O 2.85Å; L148-L211 VanDerWaalsContact N-O 3.1Å; L148-N216 HydrophobicContact CD1-CB 4.17Å; L148-N216 HydrophobicContact CD2-CB 3.89Å; L148-V220 HydrophobicContact CD1-CB 4.47Å; L148-V220 HydrophobicContact CD1-CG2 4.08Å |
| 149 | D | 92.3 | Very high | 87.4 | Confident | 13 Ų | 13 | 50.1 Ų | 50.1 | 7% | 0.07 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62.9 | -43.5 | 177.2 | -171.7 | -9.9 | 0 | 0 | 0 | 110.5 | R145 P146 H151 I152 H153 L201 | R145-D149 HydrophobicContact CB-CB 4.06Å; R145-D149 VanDerWaalsContact CD-CG 3.48Å; R145-D149 WeakPolarHBondContact CD-OD2 3.37Å; R145-D149 IonicContact CZ-OD2 2.93Å; R145-D149 IonicContact NE-OD2 3.88Å; R145-D149 IonicContact NH1-OD2 2.86Å; R145-D149 PolarHBondContact NH1-OD2 3.08Å; R145-D149 VanDerWaalsContact NH1-OD2 3.09Å; P146-D149 HydrophobicContact CB-CB 4.48Å; P146-D149 PolarHBondContact O-N 3.26Å; P146-D149 VanDerWaalsContact O-N 3.16Å; D149-H151 PolarHBondContact O-N 3.32Å; D149-I152 WeakPolarHBondContact O-CG2 3.49Å; D149-H153 PolarHBondContact O-N 3.13Å; D149-H153 PolarHBondContact O-ND1 2.86Å; D149-H153 IonicContact OD1-CE1 2.8Å; D149-H153 PolarHBondContact OD1-CE1 2.94Å; D149-H153 IonicContact OD1-ND1 3.84Å; D149-H153 PolarHBondContact OD1-ND1 3.44Å; D149-L201 HydrophobicContact CB-CD1 4.35Å; D149-L201 HydrophobicContact CB-CD2 3.95Å; D149-L201 VanDerWaalsContact OD1-CD1 3.26Å; D149-L201 WeakPolarHBondContact OD1-CD1 3.47Å |
| 150 | T | 91.9 | Very high | 87.9 | Confident | 56 Ų | 56 | 44.9 Ų | 44.9 | 34% | 0.344 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -63.4 | -44 | 175.5 | -54.9 | 0 | 0 | 0 | 0 | 111.8 | V142 R145 P146 P147 L148 S154 | V142-T150 HydrophobicContact CG1-CG2 4.32Å; R145-T150 PolarHBondContact O-OG1 3.46Å; P146-T150 PolarHBondContact O-N 3.12Å; P146-T150 PolarHBondContact O-OG1 2.71Å; P146-T150 VanDerWaalsContact O-OG1 3.14Å; P147-T150 PolarHBondContact O-N 3.49Å; L148-T150 VanDerWaalsContact C-N 3.35Å; T150-S154 WeakPolarHBondContact O-CB 3.35Å; T150-S154 PolarHBondContact O-N 3.03Å |
| 151 | H | 94.5 | Very high | 88.7 | Confident | 49 Ų | 49 | 42.9 Ų | 42.9 | 23% | 0.227 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -69.3 | -43.1 | -177.9 | -173.5 | 68.6 | 0 | 0 | 0 | 113.3 | P147 L148 D149 H153 S154 L155 T217 T221 | P147-H151 WeakPolarHBondContact O-CB 3.26Å; P147-H151 PolarHBondContact O-N 2.8Å; L148-H151 PolarHBondContact O-N 3.38Å; D149-H151 PolarHBondContact O-N 3.32Å; H151-H153 VanDerWaalsContact C-N 3.27Å; H151-H153 PolarHBondContact O-N 3.1Å; H151-S154 PolarHBondContact O-N 3.44Å; H151-S154 VanDerWaalsContact O-N 3.16Å; H151-S154 PolarHBondContact O-OG 3.24Å; H151-L155 WeakPolarHBondContact O-CG 3.3Å; H151-L155 PolarHBondContact O-N 3.33Å; H151-L155 VanDerWaalsContact O-N 3.13Å; H151-T217 HydrophobicContact CB-CG2 4.19Å; H151-T217 VanDerWaalsContact CD2-CG2 3.42Å; H151-T217 WeakPolarHBondContact CD2-CG2 3.42Å; H151-T221 PolarHBondContact NE2-OG1 3.45Å |
| 152 | I | 94.8 | Very high | 89.8 | Confident | 0 Ų | 0 | 42.3 Ų | 42.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -65.8 | -34.3 | -178.6 | -161 | 168.4 | 0 | 0 | 0 | 111.6 | L148 D149 W193 Q196 I197 V200 L201 V220 | L148-I152 WeakPolarHBondContact O-CB 3.49Å; L148-I152 WeakPolarHBondContact O-CG2 3.36Å; L148-I152 PolarHBondContact O-N 3.36Å; D149-I152 WeakPolarHBondContact O-CG2 3.49Å; I152-W193 HydrophobicContact CG1-CZ2 3.85Å; I152-W193 PolarHBondContact O-NE1 2.98Å; I152-Q196 HydrophobicContact CD1-CG 4.47Å; I152-I197 HydrophobicContact CD1-CG1 4.18Å; I152-I197 HydrophobicContact CG1-CG1 3.82Å; I152-I197 HydrophobicContact CG2-CG1 4.27Å; I152-V200 HydrophobicContact CD1-CB 3.68Å; I152-V200 HydrophobicContact CD1-CG1 3.94Å; I152-V200 HydrophobicContact CD1-CG2 3.76Å; I152-L201 HydrophobicContact CG2-CD1 4.18Å; I152-L201 HydrophobicContact CG2-CG 4.42Å; I152-V220 HydrophobicContact CB-CG1 4.16Å; I152-V220 HydrophobicContact CD1-CG1 3.91Å; I152-V220 HydrophobicContact CD1-CG2 4.42Å; I152-V220 HydrophobicContact CG1-CG1 3.68Å |
| 153 | H | 93.8 | Very high | 91.1 | Very high | 5 Ų | 5 | 42 Ų | 42 | 2% | 0.023 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -75.6 | -33 | 172.1 | -71.5 | 93.4 | 0 | 0 | 0 | 113 | H7 V142 D149 H151 L155 L156 F157 L201 | H7-H153 AromaticContact NE2-NE2 3.62Å; V142-H153 HydrophobicContact CB-CB 4.49Å; V142-H153 HydrophobicContact CG1-CB 3.97Å; V142-H153 HydrophobicContact CG2-CB 3.75Å; D149-H153 PolarHBondContact O-N 3.13Å; D149-H153 PolarHBondContact O-ND1 2.86Å; D149-H153 IonicContact OD1-CE1 2.8Å; D149-H153 PolarHBondContact OD1-CE1 2.94Å; D149-H153 IonicContact OD1-ND1 3.84Å; D149-H153 PolarHBondContact OD1-ND1 3.44Å; H151-H153 VanDerWaalsContact C-N 3.27Å; H151-H153 PolarHBondContact O-N 3.1Å; H153-L155 VanDerWaalsContact C-N 3.26Å; H153-L155 PolarHBondContact O-N 2.92Å; H153-L156 WeakPolarHBondContact O-CA 3.27Å; H153-L156 WeakPolarHBondContact O-CB 3.41Å; H153-L156 PolarHBondContact O-N 3.04Å; H153-F157 HydrophobicContact CB-CZ 4.35Å; H153-F157 WeakPolarHBondContact O-CD1 3.36Å; H153-F157 WeakPolarHBondContact O-CE1 3.23Å; H153-F157 PolarHBondContact O-N 3.39Å; H153-L201 VanDerWaalsContact CE1-CD1 3.47Å; H153-L201 WeakPolarHBondContact CE1-CD1 3.33Å |
| 154 | S | 93.1 | Very high | 92.7 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 29% | 0.287 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -63.2 | -35.3 | 176.3 | 76.6 | 0 | 0 | 0 | 0 | 112.1 | T150 H151 L156 F157 V158 | T150-S154 WeakPolarHBondContact O-CB 3.35Å; T150-S154 PolarHBondContact O-N 3.03Å; H151-S154 PolarHBondContact O-N 3.44Å; H151-S154 VanDerWaalsContact O-N 3.16Å; H151-S154 PolarHBondContact O-OG 3.24Å; S154-L156 VanDerWaalsContact C-N 3.31Å; S154-L156 PolarHBondContact O-N 3.42Å; S154-F157 VanDerWaalsContact O-CB 3.31Å; S154-F157 WeakPolarHBondContact O-CB 3.41Å; S154-F157 PolarHBondContact O-N 3.33Å; S154-F157 VanDerWaalsContact O-N 3.09Å; S154-V158 PolarHBondContact O-N 3.43Å |
| 155 | L | 95.8 | Very high | 94.1 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 9% | 0.089 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -63.1 | -35.1 | 172 | -69.2 | 170.9 | 0 | 0 | 0 | 112.4 | H151 H153 F157 V158 A159 W193 V220 F224 | H151-L155 WeakPolarHBondContact O-CG 3.3Å; H151-L155 PolarHBondContact O-N 3.33Å; H151-L155 VanDerWaalsContact O-N 3.13Å; H153-L155 VanDerWaalsContact C-N 3.26Å; H153-L155 PolarHBondContact O-N 2.92Å; L155-F157 VanDerWaalsContact C-N 3.28Å; L155-F157 PolarHBondContact O-N 3.45Å; L155-V158 WeakPolarHBondContact O-CB 3.49Å; L155-V158 PolarHBondContact O-N 2.91Å; L155-A159 PolarHBondContact O-N 2.61Å; L155-W193 HydrophobicContact CB-CZ2 3.94Å; L155-W193 HydrophobicContact CD1-CH2 4.24Å; L155-W193 HydrophobicContact CD1-CZ2 3.58Å; L155-W193 HydrophobicContact CG-CZ2 4.42Å; L155-V220 HydrophobicContact CD1-CG1 4Å; L155-F224 HydrophobicContact CB-CD2 3.79Å; L155-F224 HydrophobicContact CB-CE2 3.93Å; L155-F224 HydrophobicContact CB-CG 4.28Å; L155-F224 HydrophobicContact CD1-CB 4.14Å; L155-F224 HydrophobicContact CD1-CG 4.41Å; L155-F224 HydrophobicContact CD2-CB 4.47Å; L155-F224 HydrophobicContact CD2-CD1 4.2Å; L155-F224 HydrophobicContact CD2-CD2 4.47Å; L155-F224 HydrophobicContact CD2-CG 4.14Å; L155-F224 HydrophobicContact CG-CD2 4.49Å; L155-F224 WeakPolarHBondContact O-CE2 3.36Å; L155-F224 VanDerWaalsContact O-CZ 3.32Å; L155-F224 WeakPolarHBondContact O-CZ 3.45Å |
| 156 | L | 95.1 | Very high | 94.8 | Very high | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.7 | -39.9 | 171.7 | -174.7 | 65 | 0 | 0 | 0 | 111.1 | H153 S154 V158 A159 V160 Q190 W193 F194 I197 | H153-L156 WeakPolarHBondContact O-CA 3.27Å; H153-L156 WeakPolarHBondContact O-CB 3.41Å; H153-L156 PolarHBondContact O-N 3.04Å; S154-L156 VanDerWaalsContact C-N 3.31Å; S154-L156 PolarHBondContact O-N 3.42Å; L156-V158 VanDerWaalsContact C-N 3.25Å; L156-V158 PolarHBondContact O-N 3.39Å; L156-A159 WeakPolarHBondContact O-CB 3.21Å; L156-A159 PolarHBondContact O-N 3.49Å; L156-A159 VanDerWaalsContact O-N 3.1Å; L156-V160 HydrophobicContact CD1-CG2 4.28Å; L156-V160 HydrophobicContact CG-CG2 4.07Å; L156-V160 WeakPolarHBondContact O-CG2 3.4Å; L156-V160 PolarHBondContact O-N 3.22Å; L156-Q190 HydrophobicContact CD1-CG 3.98Å; L156-W193 HydrophobicContact CD1-CB 4.32Å; L156-F194 HydrophobicContact CD1-CD2 4.15Å; L156-F194 HydrophobicContact CD1-CE2 4.02Å; L156-F194 HydrophobicContact CD1-CZ 4.29Å; L156-F194 HydrophobicContact CD2-CD1 4.19Å; L156-F194 HydrophobicContact CD2-CE1 3.61Å; L156-F194 HydrophobicContact CD2-CE2 4.2Å; L156-F194 HydrophobicContact CD2-CZ 3.62Å; L156-I197 HydrophobicContact CB-CD1 4.16Å; L156-I197 HydrophobicContact CD2-CD1 3.91Å; L156-I197 HydrophobicContact CG-CD1 4.46Å |
| 157 | F | 92.5 | Very high | 95.2 | Very high | 23 Ų | 23 | 25 Ų | 25 | 10% | 0.101 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.2 | -36.9 | 178.9 | -52.5 | -23.3 | 0 | 0 | 0 | 111.6 | F138 Y139 V142 H153 S154 L155 A159 V160 F161 | F138-F157 HydrophobicContact CB-CD1 4.34Å; F138-F157 HydrophobicContact CB-CE1 3.67Å; F138-F157 HydrophobicContact CB-CZ 4.48Å; Y139-F157 HydrophobicContact CD2-CD2 4.11Å; Y139-F157 AromaticContact CD2-CE2 3.92Å; Y139-F157 HydrophobicContact CD2-CE2 3.92Å; V142-F157 HydrophobicContact CB-CZ 4.46Å; V142-F157 HydrophobicContact CG2-CZ 3.96Å; H153-F157 HydrophobicContact CB-CZ 4.35Å; H153-F157 WeakPolarHBondContact O-CD1 3.36Å; H153-F157 WeakPolarHBondContact O-CE1 3.23Å; H153-F157 PolarHBondContact O-N 3.39Å; S154-F157 VanDerWaalsContact O-CB 3.31Å; S154-F157 WeakPolarHBondContact O-CB 3.41Å; S154-F157 PolarHBondContact O-N 3.33Å; S154-F157 VanDerWaalsContact O-N 3.09Å; L155-F157 VanDerWaalsContact C-N 3.28Å; L155-F157 PolarHBondContact O-N 3.45Å; F157-A159 VanDerWaalsContact C-N 3.32Å; F157-A159 PolarHBondContact O-N 3.2Å; F157-V160 PolarHBondContact O-N 3.09Å; F157-F161 HydrophobicContact CB-CD2 4.01Å; F157-F161 HydrophobicContact CB-CE2 4.16Å; F157-F161 WeakPolarHBondContact O-CB 3.4Å; F157-F161 VanDerWaalsContact O-CD2 3.27Å; F157-F161 WeakPolarHBondContact O-CD2 3.34Å; F157-F161 PolarHBondContact O-N 2.88Å |
| 158 | V | 94.4 | Very high | 95.4 | Very high | 92 Ų | 92 | 24.6 Ų | 24.6 | 56% | 0.558 | 15% | 0.146 | S | C | * | . | H | α-helix | trans | -59.1 | -45.2 | 175.1 | -179.4 | 0 | 0 | 0 | 0 | 110.7 | S154 L155 L156 G162 F224 | S154-V158 PolarHBondContact O-N 3.43Å; L155-V158 WeakPolarHBondContact O-CB 3.49Å; L155-V158 PolarHBondContact O-N 2.91Å; L156-V158 VanDerWaalsContact C-N 3.25Å; L156-V158 PolarHBondContact O-N 3.39Å; V158-G162 PolarHBondContact O-N 3.2Å; V158-F224 HydrophobicContact CB-CZ 4.29Å; V158-F224 HydrophobicContact CG1-CE1 4.5Å; V158-F224 HydrophobicContact CG1-CZ 4.46Å |
| 159 | A | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -65.1 | -51.6 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | L155 L156 F157 G162 V163 L189 Q190 F224 | L155-A159 PolarHBondContact O-N 2.61Å; L156-A159 WeakPolarHBondContact O-CB 3.21Å; L156-A159 PolarHBondContact O-N 3.49Å; L156-A159 VanDerWaalsContact O-N 3.1Å; F157-A159 VanDerWaalsContact C-N 3.32Å; F157-A159 PolarHBondContact O-N 3.2Å; A159-G162 WeakPolarHBondContact O-CA 3.38Å; A159-G162 PolarHBondContact O-N 3.5Å; A159-V163 WeakPolarHBondContact O-CG2 3.34Å; A159-V163 PolarHBondContact O-N 3.35Å; A159-L189 HydrophobicContact CB-CD2 4.1Å; A159-L189 HydrophobicContact CB-CG 4.08Å; A159-Q190 HydrophobicContact CB-CB 4.19Å; A159-F224 HydrophobicContact CB-CZ 4.39Å |
| 160 | V | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 28.2 Ų | 28.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -49.9 | -175.8 | 175.8 | 0 | 0 | 0 | 0 | 112 | F131 E134 L156 F157 G162 V163 A164 Q190 | F131-V160 WeakPolarHBondContact O-CG1 3.42Å; E134-V160 HydrophobicContact CB-CG1 4.4Å; E134-V160 HydrophobicContact CG-CG1 4.03Å; L156-V160 HydrophobicContact CD1-CG2 4.28Å; L156-V160 HydrophobicContact CG-CG2 4.07Å; L156-V160 WeakPolarHBondContact O-CG2 3.4Å; L156-V160 PolarHBondContact O-N 3.22Å; F157-V160 PolarHBondContact O-N 3.09Å; V160-G162 VanDerWaalsContact C-N 3.27Å; V160-G162 PolarHBondContact O-N 3.04Å; V160-V163 WeakPolarHBondContact O-CB 3.24Å; V160-V163 PolarHBondContact O-N 3.42Å; V160-A164 PolarHBondContact O-N 3.08Å; V160-Q190 HydrophobicContact CG2-CG 3.96Å |
| 161 | F | 97.1 | Very high | 95.8 | Very high | 69 Ų | 69 | 26.7 Ų | 26.7 | 30% | 0.303 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -67.6 | -31.4 | 176.7 | -75 | -62.9 | 0 | 0 | 0 | 111.8 | F132 F157 A164 A165 | F132-F161 HydrophobicContact CD2-CD1 4.13Å; F132-F161 AromaticContact CD2-CE1 3.77Å; F132-F161 HydrophobicContact CD2-CE1 3.77Å; F132-F161 HydrophobicContact CE2-CD1 4.5Å; F132-F161 AromaticContact CE2-CE1 3.9Å; F132-F161 HydrophobicContact CE2-CE1 3.9Å; F157-F161 HydrophobicContact CB-CD2 4.01Å; F157-F161 HydrophobicContact CB-CE2 4.16Å; F157-F161 WeakPolarHBondContact O-CB 3.4Å; F157-F161 VanDerWaalsContact O-CD2 3.27Å; F157-F161 WeakPolarHBondContact O-CD2 3.34Å; F157-F161 PolarHBondContact O-N 2.88Å; F161-A164 PolarHBondContact O-N 3.01Å; F161-A165 VanDerWaalsContact O-CB 3.23Å; F161-A165 WeakPolarHBondContact O-CB 3.35Å; F161-A165 PolarHBondContact O-N 2.86Å |
| 162 | G | 97.5 | Very high | 95.7 | Very high | 21 Ų | 21 | 32.1 Ų | 32.1 | 22% | 0.216 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -59.4 | -47.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112 | V158 A159 V160 A165 S166 L186 | V158-G162 PolarHBondContact O-N 3.2Å; A159-G162 WeakPolarHBondContact O-CA 3.38Å; A159-G162 PolarHBondContact O-N 3.5Å; V160-G162 VanDerWaalsContact C-N 3.27Å; V160-G162 PolarHBondContact O-N 3.04Å; G162-A165 PolarHBondContact O-N 2.85Å; G162-S166 WeakPolarHBondContact O-CB 3.46Å; G162-S166 PolarHBondContact O-N 3.34Å; G162-S166 PolarHBondContact O-OG 3.45Å; G162-L186 VanDerWaalsContact C-CD1 3.48Å |
| 163 | V | 97.8 | Very high | 95.5 | Very high | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -60.8 | -47.3 | 173.8 | 179.3 | 0 | 0 | 0 | 0 | 110.6 | F131 A159 V160 A165 S166 T167 R183 L186 | F131-V163 HydrophobicContact CB-CG1 4.46Å; F131-V163 HydrophobicContact CD1-CB 4.32Å; F131-V163 HydrophobicContact CD1-CG1 3.93Å; F131-V163 HydrophobicContact CD2-CB 4.39Å; F131-V163 HydrophobicContact CD2-CG1 3.36Å; F131-V163 HydrophobicContact CE1-CG1 3.93Å; F131-V163 HydrophobicContact CE2-CG1 3.33Å; F131-V163 HydrophobicContact CG-CB 4.25Å; F131-V163 HydrophobicContact CG-CG1 3.67Å; F131-V163 HydrophobicContact CZ-CG1 3.65Å; A159-V163 WeakPolarHBondContact O-CG2 3.34Å; A159-V163 PolarHBondContact O-N 3.35Å; V160-V163 WeakPolarHBondContact O-CB 3.24Å; V160-V163 PolarHBondContact O-N 3.42Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 2.87Å; V163-S166 PolarHBondContact O-N 3.18Å; V163-S166 PolarHBondContact O-OG 3.26Å; V163-S166 VanDerWaalsContact O-OG 3.05Å; V163-T167 VanDerWaalsContact O-CB 3.3Å; V163-T167 WeakPolarHBondContact O-CB 3.31Å; V163-T167 PolarHBondContact O-N 3.37Å; V163-T167 PolarHBondContact O-OG1 2.85Å; V163-R183 HydrophobicContact CG1-CG 4.08Å; V163-L186 HydrophobicContact CG2-CB 3.43Å; V163-L186 VanDerWaalsContact CG2-CB 3.43Å |
| 164 | A | 98.2 | Very high | 95 | Very high | 5 Ų | 5 | 42.3 Ų | 42.3 | 4% | 0.041 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.4 | -45.2 | 179.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | S128 F131 F132 V160 F161 L168 | S128-A164 WeakPolarHBondContact CB-O 3.26Å; S128-A164 PolarHBondContact OG-O 2.95Å; F131-A164 HydrophobicContact CB-CB 3.85Å; F132-A164 HydrophobicContact CB-CB 4.24Å; V160-A164 PolarHBondContact O-N 3.08Å; F161-A164 PolarHBondContact O-N 3.01Å; A164-L168 WeakPolarHBondContact O-CB 3.48Å; A164-L168 PolarHBondContact O-N 2.71Å |
| 165 | A | 97.8 | Very high | 94.4 | Very high | 51 Ų | 51 | 45 Ų | 45 | 42% | 0.421 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -69.2 | -45.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | F161 G162 V163 T167 L168 L169 | F161-A165 VanDerWaalsContact O-CB 3.23Å; F161-A165 WeakPolarHBondContact O-CB 3.35Å; F161-A165 PolarHBondContact O-N 2.86Å; G162-A165 PolarHBondContact O-N 2.85Å; V163-A165 VanDerWaalsContact C-N 3.34Å; V163-A165 PolarHBondContact O-N 2.87Å; A165-T167 VanDerWaalsContact C-N 3.3Å; A165-T167 PolarHBondContact O-N 2.98Å; A165-L168 PolarHBondContact O-N 3.02Å; A165-L169 WeakPolarHBondContact O-CG 3.33Å; A165-L169 PolarHBondContact O-N 3.36Å |
| 166 | S | 96.9 | Very high | 94.2 | Very high | 4 Ų | 4 | 46.4 Ų | 46.4 | 3% | 0.028 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -61.4 | -41.8 | 177 | 66.9 | 0 | 0 | 0 | 0 | 111 | G162 V163 L169 E170 R183 | G162-S166 WeakPolarHBondContact O-CB 3.46Å; G162-S166 PolarHBondContact O-N 3.34Å; G162-S166 PolarHBondContact O-OG 3.45Å; V163-S166 PolarHBondContact O-N 3.18Å; V163-S166 PolarHBondContact O-OG 3.26Å; V163-S166 VanDerWaalsContact O-OG 3.05Å; S166-L169 PolarHBondContact O-N 3.3Å; S166-E170 PolarHBondContact O-N 2.89Å; S166-R183 WeakPolarHBondContact OG-CA 3.41Å; S166-R183 WeakPolarHBondContact OG-CB 3.45Å |
| 167 | T | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -38.7 | 176.9 | -47.5 | 0 | 0 | 0 | 0 | 111.8 | R124 L127 V163 A165 L169 E170 R183 | R124-T167 HydrophobicContact CB-CG2 4.31Å; R124-T167 VanDerWaalsContact O-CG2 3.26Å; R124-T167 WeakPolarHBondContact O-CG2 3.43Å; L127-T167 HydrophobicContact CB-CG2 3.91Å; L127-T167 HydrophobicContact CD2-CG2 3.97Å; L127-T167 HydrophobicContact CG-CG2 3.95Å; V163-T167 VanDerWaalsContact O-CB 3.3Å; V163-T167 WeakPolarHBondContact O-CB 3.31Å; V163-T167 PolarHBondContact O-N 3.37Å; V163-T167 PolarHBondContact O-OG1 2.85Å; A165-T167 VanDerWaalsContact C-N 3.3Å; A165-T167 PolarHBondContact O-N 2.98Å; T167-L169 VanDerWaalsContact C-N 3.34Å; T167-E170 WeakPolarHBondContact O-CB 3.32Å; T167-E170 PolarHBondContact O-N 3.09Å; T167-R183 WeakPolarHBondContact OG1-CD 3.21Å |
| 168 | L | 97.4 | Very high | 94.1 | Very high | 70 Ų | 70 | 52.2 Ų | 52.2 | 37% | 0.366 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63.4 | -42 | 176.1 | -173.9 | 58.9 | 0 | 0 | 0 | 111.3 | L125 S128 A164 A165 E170 V171 F172 | L125-L168 HydrophobicContact CD1-CD1 4Å; S128-L168 WeakPolarHBondContact OG-CB 3.41Å; A164-L168 WeakPolarHBondContact O-CB 3.48Å; A164-L168 PolarHBondContact O-N 2.71Å; A165-L168 PolarHBondContact O-N 3.02Å; L168-E170 PolarHBondContact O-N 3.42Å; L168-V171 HydrophobicContact CD1-CG2 4.4Å; L168-V171 WeakPolarHBondContact O-CB 3.48Å; L168-V171 WeakPolarHBondContact O-CG2 3.27Å; L168-V171 PolarHBondContact O-N 2.81Å; L168-F172 HydrophobicContact CD1-CE2 4.43Å; L168-F172 HydrophobicContact CG-CE2 4.38Å |
| 169 | L | 96.8 | Very high | 94.1 | Very high | 85 Ų | 85 | 48.8 Ų | 48.8 | 45% | 0.445 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -61 | -34.8 | 175.9 | -71.4 | 173.4 | 0 | 0 | 0 | 111.9 | A165 S166 T167 V171 F172 M173 L179 | A165-L169 WeakPolarHBondContact O-CG 3.33Å; A165-L169 PolarHBondContact O-N 3.36Å; S166-L169 PolarHBondContact O-N 3.3Å; T167-L169 VanDerWaalsContact C-N 3.34Å; L169-V171 PolarHBondContact O-N 2.67Å; L169-F172 PolarHBondContact O-N 3.41Å; L169-F172 VanDerWaalsContact O-N 3.11Å; L169-M173 WeakPolarHBondContact O-CB 3.11Å; L169-M173 PolarHBondContact O-N 3.29Å; L169-L179 HydrophobicContact CB-CD1 3.84Å; L169-L179 HydrophobicContact CB-CD2 4.26Å; L169-L179 HydrophobicContact CD1-CD2 4.22Å |
| 170 | E | 94.8 | Very high | 94 | Very high | 4 Ų | 4 | 49.1 Ų | 49.1 | 2% | 0.019 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.4 | -20.7 | 175.2 | -66.2 | 176.9 | -139.2 | 0 | 0 | 113.5 | R124 S166 T167 L168 F172 L179 R183 | R124-E170 WeakPolarHBondContact CD-O 3.36Å; R124-E170 HydrophobicContact CG-CB 4.37Å; R124-E170 IonicContact NE-OE2 3.9Å; S166-E170 PolarHBondContact O-N 2.89Å; T167-E170 WeakPolarHBondContact O-CB 3.32Å; T167-E170 PolarHBondContact O-N 3.09Å; L168-E170 PolarHBondContact O-N 3.42Å; E170-F172 VanDerWaalsContact C-N 3.28Å; E170-F172 PolarHBondContact O-N 3.41Å; E170-L179 HydrophobicContact CG-CB 3.68Å; E170-L179 HydrophobicContact CG-CD1 4.26Å; E170-R183 VanDerWaalsContact OE1-CD 3.32Å; E170-R183 WeakPolarHBondContact OE1-CD 3.19Å; E170-R183 IonicContact OE1-CZ 2.98Å; E170-R183 IonicContact OE1-NE 3.28Å; E170-R183 PolarHBondContact OE1-NE 2.99Å; E170-R183 IonicContact OE1-NH2 3.21Å; E170-R183 IonicContact OE2-NE 2.73Å; E170-R183 IonicContact OE2-NH2 2.71Å |
| 171 | V | 94.1 | Very high | 94 | Very high | 25 Ų | 25 | 50.5 Ų | 50.5 | 15% | 0.152 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -62.7 | -40.4 | 173.8 | -179.3 | 0 | 0 | 0 | 0 | 110.3 | R124 L125 L168 L169 R174 | R124-V171 HydrophobicContact CB-CG2 3.82Å; L125-V171 HydrophobicContact CB-CG2 4.12Å; L168-V171 HydrophobicContact CD1-CG2 4.4Å; L168-V171 WeakPolarHBondContact O-CB 3.48Å; L168-V171 WeakPolarHBondContact O-CG2 3.27Å; L168-V171 PolarHBondContact O-N 2.81Å; L169-V171 PolarHBondContact O-N 2.67Å; V171-R174 PolarHBondContact O-NE 3.23Å |
| 172 | F | 92.4 | Very high | 94 | Very high | 163 Ų | 163 | 50.9 Ų | 50.9 | 72% | 0.715 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -92.1 | -40.9 | -178.1 | -53.7 | -72.2 | 0 | 0 | 0 | 112.4 | L168 L169 E170 R174 | L168-F172 HydrophobicContact CD1-CE2 4.43Å; L168-F172 HydrophobicContact CG-CE2 4.38Å; L169-F172 PolarHBondContact O-N 3.41Å; L169-F172 VanDerWaalsContact O-N 3.11Å; E170-F172 VanDerWaalsContact C-N 3.28Å; E170-F172 PolarHBondContact O-N 3.41Å; F172-R174 PolarHBondContact O-N 2.84Å |
| 173 | M | 90.8 | Very high | 94 | Very high | 97 Ų | 97 | 50.3 Ų | 50.3 | 48% | 0.478 | 26% | 0.256 | S | S | . | . | S | Bend | trans | -103.5 | 66.4 | -177.1 | -62 | -176.8 | 77.2 | 0 | 0 | 111.1 | L169 N176 L179 | L169-M173 WeakPolarHBondContact O-CB 3.11Å; L169-M173 PolarHBondContact O-N 3.29Å; M173-N176 HydrophobicContact CB-CB 4.49Å; M173-N176 WeakPolarHBondContact O-CB 3.25Å; M173-L179 HydrophobicContact CB-CD1 3.73Å; M173-L179 HydrophobicContact CG-CD1 4.48Å; M173-L179 HydrophobicContact SD-CD1 4.15Å |
| 174 | R | 82.6 | Confident | 94 | Very high | 122 Ų | 122 | 50.3 Ų | 50.3 | 46% | 0.46 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.9 | 148 | -176.3 | -61.5 | -179.4 | -172.2 | 151.2 | -1.7 | 112 | L120 V171 F172 N176 | L120-R174 PolarHBondContact O-NH2 3.37Å; V171-R174 PolarHBondContact O-NE 3.23Å; F172-R174 PolarHBondContact O-N 2.84Å; R174-N176 PolarHBondContact O-N 3.48Å; R174-N176 VanDerWaalsContact O-N 3.1Å |
| 175 | D | 80.6 | Confident | 94 | Very high | 96 Ų | 96 | 50.1 Ų | 50.1 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.5 | 15.1 | 178.9 | -59.4 | -53 | 0 | 0 | 0 | 115.4 | R32 I177 | R32-D175 IonicContact CZ-OD1 3.52Å; R32-D175 IonicContact NH1-OD1 3.77Å; R32-D175 PolarHBondContact NH1-OD1 3.39Å; R32-D175 IonicContact NH2-OD1 3.92Å; D175-I177 PolarHBondContact O-N 3.16Å; D175-I177 VanDerWaalsContact O-N 3.11Å |
| 176 | N | 90.6 | Very high | 94 | Very high | 47 Ų | 47 | 48.7 Ų | 48.7 | 25% | 0.251 | 24% | 0.24 | S | C | . | . | trans | -76.3 | 99.5 | 170.5 | -171.3 | -21.1 | 0 | 0 | 0 | 110 | M173 R174 L178 L179 E180 | M173-N176 HydrophobicContact CB-CB 4.49Å; M173-N176 WeakPolarHBondContact O-CB 3.25Å; R174-N176 PolarHBondContact O-N 3.48Å; R174-N176 VanDerWaalsContact O-N 3.1Å; N176-L178 PolarHBondContact O-N 3.38Å; N176-L178 VanDerWaalsContact O-N 3.15Å; N176-L178 WeakPolarHBondContact OD1-CB 3.23Å; N176-L178 PolarHBondContact OD1-N 3.2Å; N176-L179 HydrophobicContact CB-CB 4.43Å; N176-L179 HydrophobicContact CB-CD1 4.1Å; N176-L179 HydrophobicContact CB-CG 4.21Å; N176-L179 PolarHBondContact O-N 3.4Å; N176-L179 VanDerWaalsContact O-N 3.07Å; N176-E180 PolarHBondContact O-N 2.83Å | ||
| 177 | I | 91.4 | Very high | 94.1 | Very high | 23 Ų | 23 | 48.6 Ų | 48.6 | 12% | 0.118 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -56.7 | -31 | -179.9 | -169.8 | 54.8 | 0 | 0 | 0 | 112.9 | H29 D175 L179 E180 L181 Y239 | H29-I177 HydrophobicContact CB-CD1 3.72Å; H29-I177 HydrophobicContact CB-CG1 4.23Å; D175-I177 PolarHBondContact O-N 3.16Å; D175-I177 VanDerWaalsContact O-N 3.11Å; I177-L179 VanDerWaalsContact C-N 3.34Å; I177-L179 PolarHBondContact O-N 2.98Å; I177-E180 HydrophobicContact CD1-CB 4.35Å; I177-E180 PolarHBondContact O-N 3.17Å; I177-L181 HydrophobicContact CD1-CD2 4.31Å; I177-L181 HydrophobicContact CD1-CG 4.15Å; I177-L181 HydrophobicContact CG1-CD1 4.06Å; I177-L181 HydrophobicContact CG1-CG 4.09Å; I177-L181 WeakPolarHBondContact O-CB 3.39Å; I177-L181 WeakPolarHBondContact O-CG 3.34Å; I177-L181 PolarHBondContact O-N 3.47Å; I177-Y239 HydrophobicContact CG1-CE2 4.08Å |
| 178 | L | 94.6 | Very high | 94.1 | Very high | 123 Ų | 123 | 48.8 Ų | 48.8 | 64% | 0.644 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -66.5 | -38 | 179.3 | -61.3 | -179.9 | 0 | 0 | 0 | 111.7 | N176 L182 | N176-L178 PolarHBondContact O-N 3.38Å; N176-L178 VanDerWaalsContact O-N 3.15Å; N176-L178 WeakPolarHBondContact OD1-CB 3.23Å; N176-L178 PolarHBondContact OD1-N 3.2Å; L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.36Å; L178-L182 PolarHBondContact O-N 3.01Å |
| 179 | L | 95.2 | Very high | 94.2 | Very high | 19 Ų | 19 | 45.5 Ų | 45.5 | 10% | 0.099 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -67.4 | -41.6 | 175 | -67.5 | 178.5 | 0 | 0 | 0 | 111.1 | L169 E170 M173 N176 I177 L182 R183 | L169-L179 HydrophobicContact CB-CD1 3.84Å; L169-L179 HydrophobicContact CB-CD2 4.26Å; L169-L179 HydrophobicContact CD1-CD2 4.22Å; E170-L179 HydrophobicContact CG-CB 3.68Å; E170-L179 HydrophobicContact CG-CD1 4.26Å; M173-L179 HydrophobicContact CB-CD1 3.73Å; M173-L179 HydrophobicContact CG-CD1 4.48Å; M173-L179 HydrophobicContact SD-CD1 4.15Å; N176-L179 HydrophobicContact CB-CB 4.43Å; N176-L179 HydrophobicContact CB-CD1 4.1Å; N176-L179 HydrophobicContact CB-CG 4.21Å; N176-L179 PolarHBondContact O-N 3.4Å; N176-L179 VanDerWaalsContact O-N 3.07Å; I177-L179 VanDerWaalsContact C-N 3.34Å; I177-L179 PolarHBondContact O-N 2.98Å; L179-L182 PolarHBondContact O-N 3.44Å; L179-R183 WeakPolarHBondContact O-CB 3.28Å; L179-R183 PolarHBondContact O-N 2.84Å |
| 180 | E | 94.3 | Very high | 94.3 | Very high | 7 Ų | 7 | 41.5 Ų | 41.5 | 3% | 0.033 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -61.5 | -45 | 175.6 | -67.4 | 179.7 | -165.8 | 0 | 0 | 111.5 | Y25 N176 I177 R183 V184 | Y25-E180 HydrophobicContact CD2-CB 4.41Å; N176-E180 PolarHBondContact O-N 2.83Å; I177-E180 HydrophobicContact CD1-CB 4.35Å; I177-E180 PolarHBondContact O-N 3.17Å; E180-R183 PolarHBondContact O-N 2.96Å; E180-V184 VanDerWaalsContact O-CG2 3.27Å; E180-V184 WeakPolarHBondContact O-CG2 3.26Å; E180-V184 PolarHBondContact O-N 2.9Å |
| 181 | L | 96.1 | Very high | 94.4 | Very high | 30 Ų | 30 | 41.3 Ų | 41.3 | 16% | 0.157 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -67.1 | -38.4 | 177.7 | -64.5 | 176 | 0 | 0 | 0 | 112 | P26 I177 V184 S185 V235 Y239 | P26-L181 HydrophobicContact CG-CD2 3.9Å; I177-L181 HydrophobicContact CD1-CD2 4.31Å; I177-L181 HydrophobicContact CD1-CG 4.15Å; I177-L181 HydrophobicContact CG1-CD1 4.06Å; I177-L181 HydrophobicContact CG1-CG 4.09Å; I177-L181 WeakPolarHBondContact O-CB 3.39Å; I177-L181 WeakPolarHBondContact O-CG 3.34Å; I177-L181 PolarHBondContact O-N 3.47Å; L181-V184 PolarHBondContact O-N 3.22Å; L181-S185 WeakPolarHBondContact O-CB 3.47Å; L181-S185 PolarHBondContact O-N 3.37Å; L181-S185 PolarHBondContact O-OG 3.37Å; L181-V235 HydrophobicContact CB-CG1 4.01Å; L181-V235 HydrophobicContact CD2-CG1 3.54Å; L181-V235 HydrophobicContact CG-CG1 4.25Å; L181-Y239 HydrophobicContact CD1-CD2 4.02Å; L181-Y239 HydrophobicContact CD1-CE2 4.4Å; L181-Y239 HydrophobicContact CD2-CD2 4.22Å |
| 182 | L | 97.4 | Very high | 94.6 | Very high | 77 Ų | 77 | 41 Ų | 41 | 40% | 0.403 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -63.2 | -49.9 | 175.4 | 177.8 | 62.1 | 0 | 0 | 0 | 110.7 | L178 L179 V184 S185 L186 | L178-L182 VanDerWaalsContact O-CB 3.26Å; L178-L182 WeakPolarHBondContact O-CB 3.36Å; L178-L182 PolarHBondContact O-N 3.01Å; L179-L182 PolarHBondContact O-N 3.44Å; L182-V184 VanDerWaalsContact C-N 3.31Å; L182-V184 PolarHBondContact O-N 3.08Å; L182-S185 PolarHBondContact O-N 3.43Å; L182-L186 HydrophobicContact CD1-CD1 3.93Å; L182-L186 HydrophobicContact CD1-CG 4.08Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.47Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.44Å |
| 183 | R | 97.2 | Very high | 94.8 | Very high | 8 Ų | 8 | 33.3 Ų | 33.3 | 3% | 0.03 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -53.1 | -50.3 | 176.4 | 178.8 | 172.9 | 53.5 | 85.4 | -4.9 | 110.9 | Y25 V163 S166 T167 E170 L179 E180 S185 L186 T187 | Y25-R183 VanDerWaalsContact CZ-NH2 3.28Å; Y25-R183 PolarHBondContact OH-NH1 3.35Å; Y25-R183 VanDerWaalsContact OH-NH1 3.1Å; Y25-R183 PolarHBondContact OH-NH2 3.4Å; V163-R183 HydrophobicContact CG1-CG 4.08Å; S166-R183 WeakPolarHBondContact OG-CA 3.41Å; S166-R183 WeakPolarHBondContact OG-CB 3.45Å; T167-R183 WeakPolarHBondContact OG1-CD 3.21Å; E170-R183 VanDerWaalsContact OE1-CD 3.32Å; E170-R183 WeakPolarHBondContact OE1-CD 3.19Å; E170-R183 IonicContact OE1-CZ 2.98Å; E170-R183 IonicContact OE1-NE 3.28Å; E170-R183 PolarHBondContact OE1-NE 2.99Å; E170-R183 IonicContact OE1-NH2 3.21Å; E170-R183 IonicContact OE2-NE 2.73Å; E170-R183 IonicContact OE2-NH2 2.71Å; L179-R183 WeakPolarHBondContact O-CB 3.28Å; L179-R183 PolarHBondContact O-N 2.84Å; E180-R183 PolarHBondContact O-N 2.96Å; R183-S185 PolarHBondContact O-N 2.91Å; R183-L186 PolarHBondContact O-N 2.89Å; R183-T187 PolarHBondContact O-N 3.28Å; R183-T187 PolarHBondContact O-OG1 3.32Å |
| 184 | V | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 28.9 Ų | 28.9 | 1% | 0.006 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -61.3 | -44.9 | 179 | 171.6 | 0 | 0 | 0 | 0 | 112.3 | G18 W21 Y25 E180 L181 L182 L186 T187 I188 V235 | G18-V184 VanDerWaalsContact O-CG1 3.29Å; G18-V184 WeakPolarHBondContact O-CG1 3.49Å; W21-V184 HydrophobicContact CB-CG1 4.33Å; W21-V184 HydrophobicContact CB-CG2 3.56Å; W21-V184 HydrophobicContact CE3-CG2 4.39Å; Y25-V184 HydrophobicContact CD2-CG2 3.51Å; Y25-V184 HydrophobicContact CE2-CG2 3.62Å; E180-V184 VanDerWaalsContact O-CG2 3.27Å; E180-V184 WeakPolarHBondContact O-CG2 3.26Å; E180-V184 PolarHBondContact O-N 2.9Å; L181-V184 PolarHBondContact O-N 3.22Å; L182-V184 VanDerWaalsContact C-N 3.31Å; L182-V184 PolarHBondContact O-N 3.08Å; V184-L186 VanDerWaalsContact C-N 3.29Å; V184-L186 PolarHBondContact O-N 3.25Å; V184-T187 PolarHBondContact O-N 2.88Å; V184-I188 HydrophobicContact CG1-CD1 4.1Å; V184-I188 WeakPolarHBondContact O-CG1 3.22Å; V184-I188 PolarHBondContact O-N 3.35Å; V184-V235 HydrophobicContact CG1-CG2 3.78Å |
| 185 | S | 98.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.007 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60.1 | -42.6 | 178.7 | -56.3 | 0 | 0 | 0 | 0 | 110.9 | L181 L182 R183 I188 L189 A231 V235 | L181-S185 WeakPolarHBondContact O-CB 3.47Å; L181-S185 PolarHBondContact O-N 3.37Å; L181-S185 PolarHBondContact O-OG 3.37Å; L182-S185 PolarHBondContact O-N 3.43Å; R183-S185 PolarHBondContact O-N 2.91Å; S185-I188 PolarHBondContact O-N 3.32Å; S185-L189 WeakPolarHBondContact O-CB 3.42Å; S185-L189 PolarHBondContact O-N 3.16Å; S185-A231 WeakPolarHBondContact O-CB 3.15Å; S185-V235 WeakPolarHBondContact OG-CG2 3.35Å |
| 186 | L | 98.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 22.4 Ų | 22.4 | 11% | 0.11 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -70.6 | -32.1 | 177.6 | -65 | 174.9 | 0 | 0 | 0 | 112.6 | G162 V163 L182 R183 V184 L189 Q190 L228 | G162-L186 VanDerWaalsContact C-CD1 3.48Å; V163-L186 HydrophobicContact CG2-CB 3.43Å; V163-L186 VanDerWaalsContact CG2-CB 3.43Å; L182-L186 HydrophobicContact CD1-CD1 3.93Å; L182-L186 HydrophobicContact CD1-CG 4.08Å; L182-L186 HydrophobicContact CG-CD1 3.97Å; L182-L186 HydrophobicContact CG-CG 4.47Å; L182-L186 WeakPolarHBondContact O-CG 3.35Å; L182-L186 PolarHBondContact O-N 3.44Å; R183-L186 PolarHBondContact O-N 2.89Å; V184-L186 VanDerWaalsContact C-N 3.29Å; V184-L186 PolarHBondContact O-N 3.25Å; L186-L189 HydrophobicContact CD2-CD2 4.12Å; L186-L189 WeakPolarHBondContact O-CB 3.3Å; L186-L189 PolarHBondContact O-N 2.91Å; L186-Q190 WeakPolarHBondContact O-CB 3.24Å; L186-Q190 PolarHBondContact O-N 3.1Å; L186-L228 HydrophobicContact CD2-CD1 4.4Å |
| 187 | T | 98.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 20.2 Ų | 20.2 | 1% | 0.006 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -67.6 | -40.4 | 172.3 | -53.7 | 0 | 0 | 0 | 0 | 111.9 | F14 W21 R183 V184 Q190 G191 | F14-T187 HydrophobicContact CB-CG2 4.42Å; F14-T187 HydrophobicContact CD1-CG2 4.45Å; W21-T187 HydrophobicContact CE3-CG2 4.43Å; W21-T187 HydrophobicContact CZ3-CG2 4.1Å; R183-T187 PolarHBondContact O-N 3.28Å; R183-T187 PolarHBondContact O-OG1 3.32Å; V184-T187 PolarHBondContact O-N 2.88Å; T187-Q190 PolarHBondContact O-N 3.44Å; T187-G191 PolarHBondContact O-N 2.84Å |
| 188 | I | 98.5 | Very high | 96.8 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -63.8 | -44.3 | 172.8 | -66.4 | 171.2 | 0 | 0 | 0 | 110.2 | L15 L19 V184 S185 G191 S192 A231 I234 V235 | L15-I188 HydrophobicContact CD1-CB 4.48Å; L15-I188 HydrophobicContact CD1-CG2 3.79Å; L19-I188 HydrophobicContact CD2-CD1 4.21Å; V184-I188 HydrophobicContact CG1-CD1 4.1Å; V184-I188 WeakPolarHBondContact O-CG1 3.22Å; V184-I188 PolarHBondContact O-N 3.35Å; S185-I188 PolarHBondContact O-N 3.32Å; I188-G191 PolarHBondContact O-N 2.93Å; I188-S192 WeakPolarHBondContact O-CB 3.46Å; I188-S192 PolarHBondContact O-N 2.95Å; I188-S192 PolarHBondContact O-OG 3.47Å; I188-S192 VanDerWaalsContact O-OG 3.08Å; I188-A231 HydrophobicContact CB-CB 4.03Å; I188-A231 HydrophobicContact CG2-CB 3.77Å; I188-I234 HydrophobicContact CD1-CG2 4.25Å; I188-V235 HydrophobicContact CD1-CG2 3.89Å |
| 189 | L | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 17.8 Ų | 17.8 | 1% | 0.01 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -56.6 | -52.9 | 174.4 | 175.3 | 59.3 | 0 | 0 | 0 | 110.6 | A159 S185 L186 G191 S192 W193 F224 H227 L228 | A159-L189 HydrophobicContact CB-CD2 4.1Å; A159-L189 HydrophobicContact CB-CG 4.08Å; S185-L189 WeakPolarHBondContact O-CB 3.42Å; S185-L189 PolarHBondContact O-N 3.16Å; L186-L189 HydrophobicContact CD2-CD2 4.12Å; L186-L189 WeakPolarHBondContact O-CB 3.3Å; L186-L189 PolarHBondContact O-N 2.91Å; L189-G191 PolarHBondContact O-N 3.17Å; L189-S192 PolarHBondContact O-N 3.03Å; L189-S192 PolarHBondContact O-OG 3.34Å; L189-W193 WeakPolarHBondContact O-CB 3.31Å; L189-W193 PolarHBondContact O-N 3.33Å; L189-F224 HydrophobicContact CD1-CD2 4.23Å; L189-F224 HydrophobicContact CD1-CE2 4.01Å; L189-F224 HydrophobicContact CD1-CZ 4.38Å; L189-F224 HydrophobicContact CD2-CE1 4.1Å; L189-F224 HydrophobicContact CD2-CE2 4.05Å; L189-F224 HydrophobicContact CD2-CZ 3.63Å; L189-F224 HydrophobicContact CG-CE2 4.12Å; L189-F224 HydrophobicContact CG-CZ 4.22Å; L189-H227 HydrophobicContact CD1-CB 3.49Å; L189-H227 VanDerWaalsContact CD1-CB 3.49Å; L189-L228 HydrophobicContact CD1-CB 4.41Å; L189-L228 HydrophobicContact CD2-CB 4.1Å; L189-L228 HydrophobicContact CD2-CD1 4.05Å |
| 190 | Q | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 17 Ų | 17 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -52.9 | -51.1 | 176.3 | 176.2 | 178 | -22.1 | 0 | 0 | 111.9 | F14 E134 L156 A159 V160 L186 T187 W193 F194 | F14-Q190 HydrophobicContact CD2-CG 4.35Å; F14-Q190 VanDerWaalsContact CE2-NE2 3.32Å; F14-Q190 HydrophobicContact CG-CG 4.46Å; F14-Q190 VanDerWaalsContact CZ-NE2 3.34Å; E134-Q190 PolarHBondContact OE1-NE2 3.42Å; E134-Q190 PolarHBondContact OE2-NE2 3.28Å; L156-Q190 HydrophobicContact CD1-CG 3.98Å; A159-Q190 HydrophobicContact CB-CB 4.19Å; V160-Q190 HydrophobicContact CG2-CG 3.96Å; L186-Q190 WeakPolarHBondContact O-CB 3.24Å; L186-Q190 PolarHBondContact O-N 3.1Å; T187-Q190 PolarHBondContact O-N 3.44Å; Q190-W193 PolarHBondContact O-N 2.87Å; Q190-F194 HydrophobicContact CG-CD2 4.2Å; Q190-F194 HydrophobicContact CG-CE2 3.89Å; Q190-F194 VanDerWaalsContact O-CD2 3.27Å; Q190-F194 WeakPolarHBondContact O-CD2 3.17Å; Q190-F194 PolarHBondContact O-N 3.25Å |
| 191 | G | 97.4 | Very high | 96.5 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.6 | -47.5 | -179.8 | 0 | 0 | 0 | 0 | 0 | 113.4 | G11 T187 I188 L189 W193 F194 F195 | G11-G191 VanDerWaalsContact CA-O 3.3Å; G11-G191 WeakPolarHBondContact CA-O 3.37Å; G11-G191 WeakPolarHBondContact O-CA 3.35Å; T187-G191 PolarHBondContact O-N 2.84Å; I188-G191 PolarHBondContact O-N 2.93Å; L189-G191 PolarHBondContact O-N 3.17Å; G191-W193 VanDerWaalsContact C-N 3.29Å; G191-W193 PolarHBondContact O-N 3.37Å; G191-F194 PolarHBondContact O-N 3.4Å; G191-F195 WeakPolarHBondContact O-CD2 3.49Å |
| 192 | S | 98.3 | Very high | 96.3 | Very high | 20 Ų | 20 | 19 Ų | 19 | 14% | 0.14 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -67.2 | -30.4 | 176.7 | 68 | 0 | 0 | 0 | 0 | 112.8 | I188 L189 F195 Q196 H227 | I188-S192 WeakPolarHBondContact O-CB 3.46Å; I188-S192 PolarHBondContact O-N 2.95Å; I188-S192 PolarHBondContact O-OG 3.47Å; I188-S192 VanDerWaalsContact O-OG 3.08Å; L189-S192 PolarHBondContact O-N 3.03Å; L189-S192 PolarHBondContact O-OG 3.34Å; S192-F195 WeakPolarHBondContact O-CB 3.47Å; S192-F195 PolarHBondContact O-N 2.93Å; S192-Q196 PolarHBondContact O-N 3.09Å; S192-Q196 VanDerWaalsContact O-N 3.13Å; S192-H227 WeakPolarHBondContact CB-ND1 3.25Å; S192-H227 PolarHBondContact OG-ND1 2.93Å |
| 193 | W | 98 | Very high | 95.9 | Very high | 0 Ų | 0 | 16.6 Ų | 16.6 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -72.8 | -34.2 | 179.5 | -161.7 | -108 | 0 | 0 | 0 | 112.7 | I152 L155 L156 L189 Q190 G191 F195 Q196 I197 V220 C223 F224 H227 | I152-W193 HydrophobicContact CG1-CZ2 3.85Å; I152-W193 PolarHBondContact O-NE1 2.98Å; L155-W193 HydrophobicContact CB-CZ2 3.94Å; L155-W193 HydrophobicContact CD1-CH2 4.24Å; L155-W193 HydrophobicContact CD1-CZ2 3.58Å; L155-W193 HydrophobicContact CG-CZ2 4.42Å; L156-W193 HydrophobicContact CD1-CB 4.32Å; L189-W193 WeakPolarHBondContact O-CB 3.31Å; L189-W193 PolarHBondContact O-N 3.33Å; Q190-W193 PolarHBondContact O-N 2.87Å; G191-W193 VanDerWaalsContact C-N 3.29Å; G191-W193 PolarHBondContact O-N 3.37Å; W193-F195 VanDerWaalsContact C-N 3.25Å; W193-F195 PolarHBondContact O-N 2.96Å; W193-Q196 HydrophobicContact CD2-CB 4.22Å; W193-Q196 HydrophobicContact CE3-CB 3.91Å; W193-Q196 HydrophobicContact CE3-CG 4.07Å; W193-Q196 HydrophobicContact CH2-CG 4.03Å; W193-Q196 HydrophobicContact CZ3-CB 4.14Å; W193-Q196 HydrophobicContact CZ3-CG 3.77Å; W193-Q196 WeakPolarHBondContact O-CA 3.34Å; W193-Q196 WeakPolarHBondContact O-CB 3.49Å; W193-Q196 PolarHBondContact O-N 3.16Å; W193-I197 WeakPolarHBondContact O-CG1 3.42Å; W193-I197 PolarHBondContact O-N 3.43Å; W193-V220 HydrophobicContact CH2-CG1 3.78Å; W193-V220 WeakPolarHBondContact CH2-O 3.45Å; W193-V220 HydrophobicContact CZ2-CG1 3.68Å; W193-C223 HydrophobicContact CH2-CB 4.43Å; W193-C223 HydrophobicContact CZ3-CB 4.36Å; W193-F224 AromaticContact CD2-CD2 3.55Å; W193-F224 HydrophobicContact CD2-CD2 3.55Å; W193-F224 HydrophobicContact CD2-CE2 4.09Å; W193-F224 AromaticContact CE2-CD2 3.59Å; W193-F224 HydrophobicContact CE3-CB 4.39Å; W193-F224 AromaticContact CE3-CD2 3.65Å; W193-F224 HydrophobicContact CE3-CD2 3.65Å; W193-F224 HydrophobicContact CE3-CE2 4.47Å; W193-F224 HydrophobicContact CE3-CG 4.48Å; W193-F224 HydrophobicContact CG-CD2 4.2Å; W193-F224 HydrophobicContact CG-CE2 4.27Å; W193-F224 HydrophobicContact CH2-CB 3.5Å; W193-F224 AromaticContact CH2-CD2 3.87Å; W193-F224 HydrophobicContact CH2-CD2 3.87Å; W193-F224 HydrophobicContact CH2-CG 4.2Å; W193-F224 HydrophobicContact CZ2-CB 4.03Å; W193-F224 AromaticContact CZ2-CD2 3.75Å; W193-F224 HydrophobicContact CZ2-CD2 3.75Å; W193-F224 HydrophobicContact CZ2-CG 4.36Å; W193-F224 HydrophobicContact CZ3-CB 3.71Å; W193-F224 AromaticContact CZ3-CD2 3.83Å; W193-F224 HydrophobicContact CZ3-CD2 3.83Å; W193-F224 HydrophobicContact CZ3-CG 4.26Å; W193-H227 HydrophobicContact CE3-CB 4.46Å |
| 194 | F | 95.9 | Very high | 95.4 | Very high | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.018 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -56 | -41 | 168.7 | -88.7 | -66.3 | 0 | 0 | 0 | 112.2 | H7 P10 G11 F14 F138 L156 Q190 G191 I197 G198 | H7-F194 WeakPolarHBondContact CB-O 3.49Å; H7-F194 WeakPolarHBondContact O-CB 3.35Å; P10-F194 HydrophobicContact CB-CE2 4.39Å; P10-F194 HydrophobicContact CB-CZ 4.37Å; P10-F194 HydrophobicContact CG-CD1 4.15Å; P10-F194 HydrophobicContact CG-CE1 4.18Å; P10-F194 HydrophobicContact CG-CG 4.47Å; G11-F194 VanDerWaalsContact CA-CB 3.46Å; F14-F194 HydrophobicContact CD2-CD2 4.06Å; F14-F194 AromaticContact CD2-CE2 3.72Å; F14-F194 HydrophobicContact CD2-CE2 3.72Å; F14-F194 AromaticContact CE2-CE2 3.82Å; F14-F194 HydrophobicContact CE2-CE2 3.82Å; F14-F194 HydrophobicContact CE2-CZ 4.5Å; F138-F194 HydrophobicContact CE2-CE1 4.29Å; F138-F194 AromaticContact CE2-CZ 3.75Å; F138-F194 HydrophobicContact CE2-CZ 3.75Å; F138-F194 AromaticContact CZ-CE1 3.95Å; F138-F194 HydrophobicContact CZ-CE1 3.95Å; F138-F194 AromaticContact CZ-CZ 3.82Å; F138-F194 HydrophobicContact CZ-CZ 3.82Å; L156-F194 HydrophobicContact CD1-CD2 4.15Å; L156-F194 HydrophobicContact CD1-CE2 4.02Å; L156-F194 HydrophobicContact CD1-CZ 4.29Å; L156-F194 HydrophobicContact CD2-CD1 4.19Å; L156-F194 HydrophobicContact CD2-CE1 3.61Å; L156-F194 HydrophobicContact CD2-CE2 4.2Å; L156-F194 HydrophobicContact CD2-CZ 3.62Å; Q190-F194 HydrophobicContact CG-CD2 4.2Å; Q190-F194 HydrophobicContact CG-CE2 3.89Å; Q190-F194 VanDerWaalsContact O-CD2 3.27Å; Q190-F194 WeakPolarHBondContact O-CD2 3.17Å; Q190-F194 PolarHBondContact O-N 3.25Å; G191-F194 PolarHBondContact O-N 3.4Å; F194-I197 PolarHBondContact O-N 3.22Å; F194-G198 PolarHBondContact O-N 3.42Å |
| 195 | F | 96.1 | Very high | 94.7 | Very high | 50 Ų | 50 | 28.4 Ų | 28.4 | 22% | 0.219 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -63.5 | -43.4 | 172.5 | -80.6 | -83 | 0 | 0 | 0 | 111.9 | F4 A8 S12 L15 G191 S192 W193 I197 G198 F199 | F4-F195 HydrophobicContact CZ-CD1 4.35Å; A8-F195 HydrophobicContact CB-CD1 4.32Å; A8-F195 HydrophobicContact CB-CE1 3.84Å; A8-F195 HydrophobicContact CB-CZ 4.37Å; S12-F195 WeakPolarHBondContact OG-CZ 3.34Å; L15-F195 HydrophobicContact CD2-CE2 4.46Å; G191-F195 WeakPolarHBondContact O-CD2 3.49Å; S192-F195 WeakPolarHBondContact O-CB 3.47Å; S192-F195 PolarHBondContact O-N 2.93Å; W193-F195 VanDerWaalsContact C-N 3.25Å; W193-F195 PolarHBondContact O-N 2.96Å; F195-I197 VanDerWaalsContact C-N 3.33Å; F195-I197 PolarHBondContact O-N 3.41Å; F195-G198 CarbonylContact O-C 3.57Å; F195-G198 WeakPolarHBondContact O-CA 3.34Å; F195-G198 PolarHBondContact O-N 2.85Å; F195-G198 VanDerWaalsContact O-N 3.09Å; F195-F199 HydrophobicContact CB-CD2 4.33Å; F195-F199 HydrophobicContact CB-CE2 4.11Å; F195-F199 HydrophobicContact CD1-CE2 4.23Å; F195-F199 WeakPolarHBondContact O-CD2 3.46Å; F195-F199 PolarHBondContact O-N 3.06Å |
| 196 | Q | 96.1 | Very high | 93.8 | Very high | 33 Ų | 33 | 31.6 Ų | 31.6 | 15% | 0.154 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -58.5 | -44 | 177.1 | -169.4 | 64.1 | 22.1 | 0 | 0 | 111.8 | I152 S192 W193 G198 F199 V200 | I152-Q196 HydrophobicContact CD1-CG 4.47Å; S192-Q196 PolarHBondContact O-N 3.09Å; S192-Q196 VanDerWaalsContact O-N 3.13Å; W193-Q196 HydrophobicContact CD2-CB 4.22Å; W193-Q196 HydrophobicContact CE3-CB 3.91Å; W193-Q196 HydrophobicContact CE3-CG 4.07Å; W193-Q196 HydrophobicContact CH2-CG 4.03Å; W193-Q196 HydrophobicContact CZ3-CB 4.14Å; W193-Q196 HydrophobicContact CZ3-CG 3.77Å; W193-Q196 WeakPolarHBondContact O-CA 3.34Å; W193-Q196 WeakPolarHBondContact O-CB 3.49Å; W193-Q196 PolarHBondContact O-N 3.16Å; Q196-G198 VanDerWaalsContact C-N 3.33Å; Q196-G198 PolarHBondContact O-N 2.95Å; Q196-F199 PolarHBondContact O-N 3.2Å; Q196-V200 HydrophobicContact CG-CG2 4.49Å; Q196-V200 WeakPolarHBondContact O-CG2 3.26Å; Q196-V200 PolarHBondContact O-N 3.5Å |
| 197 | I | 94.6 | Very high | 93.1 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -57.3 | -48.6 | 172.7 | -65.6 | 165 | 0 | 0 | 0 | 110.3 | H7 I152 L156 W193 F194 F195 F199 V200 L201 | H7-I197 WeakPolarHBondContact CD2-CG2 3.34Å; H7-I197 WeakPolarHBondContact NE2-CG2 3.4Å; I152-I197 HydrophobicContact CD1-CG1 4.18Å; I152-I197 HydrophobicContact CG1-CG1 3.82Å; I152-I197 HydrophobicContact CG2-CG1 4.27Å; L156-I197 HydrophobicContact CB-CD1 4.16Å; L156-I197 HydrophobicContact CD2-CD1 3.91Å; L156-I197 HydrophobicContact CG-CD1 4.46Å; W193-I197 WeakPolarHBondContact O-CG1 3.42Å; W193-I197 PolarHBondContact O-N 3.43Å; F194-I197 PolarHBondContact O-N 3.22Å; F195-I197 VanDerWaalsContact C-N 3.33Å; F195-I197 PolarHBondContact O-N 3.41Å; I197-F199 PolarHBondContact O-N 2.95Å; I197-V200 PolarHBondContact O-N 3.46Å; I197-L201 HydrophobicContact CG2-CD1 3.75Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 PolarHBondContact O-N 3.46Å |
| 198 | G | 93.4 | Very high | 92.8 | Very high | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -54.8 | -47.9 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F194 F195 Q196 F202 | F194-G198 PolarHBondContact O-N 3.42Å; F195-G198 CarbonylContact O-C 3.57Å; F195-G198 WeakPolarHBondContact O-CA 3.34Å; F195-G198 PolarHBondContact O-N 2.85Å; F195-G198 VanDerWaalsContact O-N 3.09Å; Q196-G198 VanDerWaalsContact C-N 3.33Å; Q196-G198 PolarHBondContact O-N 2.95Å; G198-F202 CarbonylContact O-C 3.17Å; G198-F202 VanDerWaalsContact O-CA 3.24Å; G198-F202 WeakPolarHBondContact O-CA 3.27Å; G198-F202 WeakPolarHBondContact O-CB 3.39Å; G198-F202 PolarHBondContact O-N 3.43Å; G198-F202 VanDerWaalsContact O-O 3.1Å |
| 199 | F | 93.2 | Very high | 92.5 | Very high | 96 Ų | 96 | 46.7 Ų | 46.7 | 42% | 0.421 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -69.9 | -35.6 | -178.6 | -73.1 | -59.7 | 0 | 0 | 0 | 113.9 | F4 F195 Q196 I197 P203 L204 | F4-F199 AromaticContact CE2-CD1 3.71Å; F4-F199 HydrophobicContact CE2-CD1 3.71Å; F4-F199 AromaticContact CE2-CE1 3.65Å; F4-F199 HydrophobicContact CE2-CE1 3.65Å; F4-F199 HydrophobicContact CE2-CE2 4.45Å; F4-F199 HydrophobicContact CE2-CG 4.14Å; F4-F199 HydrophobicContact CE2-CZ 4.04Å; F4-F199 HydrophobicContact CZ-CD1 4.4Å; F4-F199 AromaticContact CZ-CE1 3.88Å; F4-F199 HydrophobicContact CZ-CE1 3.88Å; F4-F199 AromaticContact CZ-CZ 3.97Å; F4-F199 HydrophobicContact CZ-CZ 3.97Å; F195-F199 HydrophobicContact CB-CD2 4.33Å; F195-F199 HydrophobicContact CB-CE2 4.11Å; F195-F199 HydrophobicContact CD1-CE2 4.23Å; F195-F199 WeakPolarHBondContact O-CD2 3.46Å; F195-F199 PolarHBondContact O-N 3.06Å; Q196-F199 PolarHBondContact O-N 3.2Å; I197-F199 PolarHBondContact O-N 2.95Å; F199-P203 WeakPolarHBondContact O-CA 3.29Å; F199-L204 HydrophobicContact CE1-CD1 4.08Å |
| 200 | V | 93.9 | Very high | 92.3 | Very high | 2 Ų | 2 | 51 Ų | 51 | 1% | 0.012 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -76.7 | -45.7 | -179.1 | 172.2 | 0 | 0 | 0 | 0 | 111.3 | L148 I152 Q196 I197 W209 V220 | L148-V200 HydrophobicContact CD2-CG1 3.95Å; L148-V200 HydrophobicContact CG-CG1 4.44Å; I152-V200 HydrophobicContact CD1-CB 3.68Å; I152-V200 HydrophobicContact CD1-CG1 3.94Å; I152-V200 HydrophobicContact CD1-CG2 3.76Å; Q196-V200 HydrophobicContact CG-CG2 4.49Å; Q196-V200 WeakPolarHBondContact O-CG2 3.26Å; Q196-V200 PolarHBondContact O-N 3.5Å; I197-V200 PolarHBondContact O-N 3.46Å; V200-W209 HydrophobicContact CG1-CB 4.49Å; V200-W209 HydrophobicContact CG1-CD2 4.11Å; V200-W209 HydrophobicContact CG1-CE3 4.43Å; V200-W209 HydrophobicContact CG1-CG 4.12Å; V200-W209 HydrophobicContact CG2-CZ2 4.4Å; V200-W209 VanDerWaalsContact O-CD1 3.28Å; V200-V220 HydrophobicContact CG2-CG2 4.41Å |
| 201 | L | 92.4 | Very high | 92.1 | Very high | 21 Ų | 21 | 53.5 Ų | 53.5 | 11% | 0.11 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -88 | -24.4 | -175.7 | -60.6 | -178.3 | 0 | 0 | 0 | 113.5 | D149 I152 H153 I197 L211 | D149-L201 HydrophobicContact CB-CD1 4.35Å; D149-L201 HydrophobicContact CB-CD2 3.95Å; D149-L201 VanDerWaalsContact OD1-CD1 3.26Å; D149-L201 WeakPolarHBondContact OD1-CD1 3.47Å; I152-L201 HydrophobicContact CG2-CD1 4.18Å; I152-L201 HydrophobicContact CG2-CG 4.42Å; H153-L201 VanDerWaalsContact CE1-CD1 3.47Å; H153-L201 WeakPolarHBondContact CE1-CD1 3.33Å; I197-L201 HydrophobicContact CG2-CD1 3.75Å; I197-L201 HydrophobicContact CG2-CG 4.38Å; I197-L201 WeakPolarHBondContact O-CB 3.38Å; I197-L201 PolarHBondContact O-N 3.46Å; L201-L211 HydrophobicContact CD2-CD2 3.9Å |
| 202 | F | 91.8 | Very high | 91.9 | Very high | 58 Ų | 58 | 61.8 Ų | 61.8 | 25% | 0.254 | 32% | 0.324 | S | S | . | . | S | Bend | trans | -136.1 | 61 | -177.3 | -51.5 | -78.8 | 0 | 0 | 0 | 110.8 | A2 F4 H7 G198 L204 | A2-F202 VanDerWaalsContact C-CZ 3.45Å; A2-F202 HydrophobicContact CB-CZ 3.87Å; A2-F202 VanDerWaalsContact O-CE1 3.25Å; A2-F202 WeakPolarHBondContact O-CE1 3.11Å; A2-F202 WeakPolarHBondContact O-CZ 3.23Å; F4-F202 HydrophobicContact CB-CB 3.97Å; H7-F202 AromaticContact CE1-CE2 3.53Å; H7-F202 AromaticContact ND1-CE2 3.87Å; G198-F202 CarbonylContact O-C 3.17Å; G198-F202 VanDerWaalsContact O-CA 3.24Å; G198-F202 WeakPolarHBondContact O-CA 3.27Å; G198-F202 WeakPolarHBondContact O-CB 3.39Å; G198-F202 PolarHBondContact O-N 3.43Å; G198-F202 VanDerWaalsContact O-O 3.1Å; F202-L204 PolarHBondContact O-N 3.32Å |
| 203 | P | 89 | Confident | 91.7 | Very high | 26 Ų | 26 | 62 Ų | 62 | 17% | 0.169 | 33% | 0.328 | C | S | . | . | trans | -58.2 | 127.7 | -177 | 24.5 | -33.7 | 0 | 0 | 0 | 110.6 | F199 N205 | F199-P203 WeakPolarHBondContact O-CA 3.29Å; P203-N205 VanDerWaalsContact C-N 3.32Å | ||
| 204 | L | 85.6 | Confident | 91.5 | Very high | 103 Ų | 103 | 68 Ų | 68 | 54% | 0.539 | 36% | 0.356 | S | S | . | . | S | Bend | trans | -69.3 | -33.2 | -179.3 | -64 | 178.4 | 0 | 0 | 0 | 112 | F4 F199 F202 | F4-L204 HydrophobicContact CB-CD2 4.13Å; F4-L204 HydrophobicContact CD1-CD1 4.43Å; F4-L204 HydrophobicContact CD1-CD2 3.86Å; F4-L204 HydrophobicContact CD1-CG 4.48Å; F4-L204 HydrophobicContact CD2-CD2 3.99Å; F4-L204 HydrophobicContact CD2-CG 4.09Å; F4-L204 HydrophobicContact CE1-CD1 4Å; F4-L204 HydrophobicContact CE1-CD2 4.27Å; F4-L204 HydrophobicContact CE1-CG 4.48Å; F4-L204 HydrophobicContact CE2-CD1 4.11Å; F4-L204 HydrophobicContact CE2-CD2 4.41Å; F4-L204 HydrophobicContact CE2-CG 4.11Å; F4-L204 HydrophobicContact CG-CD2 3.71Å; F4-L204 HydrophobicContact CG-CG 4.29Å; F4-L204 HydrophobicContact CZ-CD1 3.84Å; F4-L204 HydrophobicContact CZ-CG 4.31Å; F199-L204 HydrophobicContact CE1-CD1 4.08Å; F202-L204 PolarHBondContact O-N 3.32Å |
| 205 | N | 82.5 | Confident | 91.5 | Very high | 154 Ų | 154 | 73.6 Ų | 73.6 | 82% | 0.824 | 39% | 0.386 | S | S | * | . | S | Bend | trans | -148.1 | 147.4 | 175.9 | -66 | -56 | 0 | 0 | 0 | 108.5 | P203 | P203-N205 VanDerWaalsContact C-N 3.32Š|
| 206 | G | 79.7 | Confident | 91.5 | Very high | 69 Ų | 69 | 72.9 Ų | 72.9 | 71% | 0.711 | 38% | 0.384 | S | S | * | . | S | Bend | trans | 109 | -170.8 | 173.5 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||
| 207 | V | 85.2 | Confident | 91.4 | Very high | 133 Ų | 133 | 72.3 Ų | 72.3 | 81% | 0.806 | 38% | 0.383 | S | S | * | . | P | Polyproline II helix | trans | -77.2 | 138.8 | -176.3 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | ||
| 208 | Q | 91.3 | Very high | 91.5 | Very high | 132 Ų | 132 | 77.7 Ų | 77.7 | 62% | 0.617 | 41% | 0.41 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 140.4 | 175.4 | -67.8 | -65.1 | -21.2 | 0 | 0 | 110.9 | ||
| 209 | W | 92.6 | Very high | 91.7 | Very high | 77 Ų | 77 | 82.1 Ų | 82.1 | 29% | 0.292 | 43% | 0.429 | S | S | . | . | P | Polyproline II helix | trans | -71.9 | 138.3 | 178 | -73.5 | 73.4 | 0 | 0 | 0 | 110.9 | L148 V200 L211 N216 F219 | L148-W209 HydrophobicContact CD2-CB 4.38Å; L148-W209 HydrophobicContact CD2-CE3 4.42Å; V200-W209 HydrophobicContact CG1-CB 4.49Å; V200-W209 HydrophobicContact CG1-CD2 4.11Å; V200-W209 HydrophobicContact CG1-CE3 4.43Å; V200-W209 HydrophobicContact CG1-CG 4.12Å; V200-W209 HydrophobicContact CG2-CZ2 4.4Å; V200-W209 VanDerWaalsContact O-CD1 3.28Å; W209-L211 PolarHBondContact O-N 3.46Å; W209-N216 HydrophobicContact CE3-CB 4.04Å; W209-N216 HydrophobicContact CZ3-CB 4.21Å; W209-F219 AromaticContact CH2-CD1 3.73Å; W209-F219 HydrophobicContact CH2-CD1 3.73Å; W209-F219 AromaticContact CH2-CE1 3.73Å; W209-F219 HydrophobicContact CH2-CE1 3.73Å; W209-F219 HydrophobicContact CZ3-CD1 4.02Å; W209-F219 HydrophobicContact CZ3-CE1 4.47Å |
| 210 | D | 93.3 | Very high | 91.8 | Very high | 93 Ų | 93 | 77.5 Ų | 77.5 | 50% | 0.497 | 41% | 0.409 | S | S | . | . | trans | -73.4 | 106.7 | 167.8 | -177.2 | -4.5 | 0 | 0 | 0 | 109.6 | K212 A213 N216 | D210-K212 PolarHBondContact O-N 2.66Å; D210-K212 PolarHBondContact OD1-N 2.82Å; D210-A213 HydrophobicContact CB-CB 3.88Å; D210-A213 PolarHBondContact O-N 3.31Å; D210-A213 PolarHBondContact OD1-N 2.86Å; D210-N216 PolarHBondContact O-ND2 3.38Å | ||
| 211 | L | 93 | Very high | 92 | Very high | 52 Ų | 52 | 79.9 Ų | 79.9 | 27% | 0.272 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.3 | -8.3 | -177.5 | -55 | -177.7 | 0 | 0 | 0 | 114.1 | P146 L148 L201 W209 | P146-L211 HydrophobicContact CB-CB 3.7Å; P146-L211 HydrophobicContact CB-CD1 3.98Å; P146-L211 HydrophobicContact CB-CG 4.49Å; P146-L211 HydrophobicContact CG-CB 4.42Å; P146-L211 HydrophobicContact CG-CD1 3.84Å; L148-L211 HydrophobicContact CB-CB 4.28Å; L148-L211 HydrophobicContact CB-CD2 4.26Å; L148-L211 WeakPolarHBondContact CB-O 3.21Å; L148-L211 HydrophobicContact CD2-CD2 3.92Å; L148-L211 HydrophobicContact CG-CD2 4.46Å; L148-L211 PolarHBondContact N-O 2.85Å; L148-L211 VanDerWaalsContact N-O 3.1Å; L201-L211 HydrophobicContact CD2-CD2 3.9Å; W209-L211 PolarHBondContact O-N 3.46Å |
| 212 | K | 93.6 | Very high | 92.2 | Very high | 174 Ų | 174 | 82.9 Ų | 82.9 | 76% | 0.757 | 44% | 0.438 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.8 | -16.6 | 179.2 | -62.7 | -178.1 | -178.1 | 179.3 | 0 | 112.9 | D210 H214 | D210-K212 PolarHBondContact O-N 2.66Å; D210-K212 PolarHBondContact OD1-N 2.82Å; K212-H214 PolarHBondContact O-N 3.31Å |
| 213 | A | 94 | Very high | 92.5 | Very high | 26 Ų | 26 | 80.9 Ų | 80.9 | 22% | 0.215 | 43% | 0.431 | C | S | . | . | trans | -65.5 | 125.3 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.4 | D210 D215 N216 | D210-A213 HydrophobicContact CB-CB 3.88Å; D210-A213 PolarHBondContact O-N 3.31Å; D210-A213 PolarHBondContact OD1-N 2.86Å; A213-D215 VanDerWaalsContact C-N 3.32Å; A213-D215 PolarHBondContact O-N 3.33Å; A213-N216 HydrophobicContact CB-CB 4.48Å; A213-N216 PolarHBondContact O-N 3.3Å | ||
| 214 | H | 93.7 | Very high | 93 | Very high | 126 Ų | 126 | 80.5 Ų | 80.5 | 58% | 0.583 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -66.5 | -34.5 | 178.7 | -173.3 | 69.1 | 0 | 0 | 0 | 112.5 | K212 N216 T217 M218 | K212-H214 PolarHBondContact O-N 3.31Å; H214-N216 PolarHBondContact O-N 3.09Å; H214-T217 WeakPolarHBondContact O-CA 3.39Å; H214-T217 VanDerWaalsContact O-CB 3.25Å; H214-T217 WeakPolarHBondContact O-CB 3.44Å; H214-T217 PolarHBondContact O-N 3.35Å; H214-M218 PolarHBondContact O-N 2.94Å |
| 215 | D | 96.4 | Very high | 93.6 | Very high | 121 Ų | 121 | 79 Ų | 79 | 65% | 0.647 | 42% | 0.424 | S | S | * | . | H | α-helix | trans | -59.5 | -35.5 | 178.9 | -62.9 | -16.3 | 0 | 0 | 0 | 112 | A213 T217 M218 F219 | A213-D215 VanDerWaalsContact C-N 3.32Å; A213-D215 PolarHBondContact O-N 3.33Å; D215-T217 VanDerWaalsContact C-N 3.34Å; D215-T217 PolarHBondContact O-N 3.2Å; D215-M218 PolarHBondContact O-N 2.87Å; D215-F219 WeakPolarHBondContact O-CB 3.49Å; D215-F219 PolarHBondContact O-N 2.83Å |
| 216 | N | 95.6 | Very high | 94.3 | Very high | 34 Ų | 34 | 79.9 Ų | 79.9 | 18% | 0.182 | 42% | 0.416 | C | S | . | . | H | α-helix | trans | -65.8 | -37.7 | 175.2 | -70.7 | -19.9 | 0 | 0 | 0 | 111.7 | L148 W209 D210 A213 H214 F219 V220 | L148-N216 HydrophobicContact CD1-CB 4.17Å; L148-N216 HydrophobicContact CD2-CB 3.89Å; W209-N216 HydrophobicContact CE3-CB 4.04Å; W209-N216 HydrophobicContact CZ3-CB 4.21Å; D210-N216 PolarHBondContact O-ND2 3.38Å; A213-N216 HydrophobicContact CB-CB 4.48Å; A213-N216 PolarHBondContact O-N 3.3Å; H214-N216 PolarHBondContact O-N 3.09Å; N216-F219 PolarHBondContact O-N 3.4Å; N216-V220 WeakPolarHBondContact O-CB 2.9Å; N216-V220 VanDerWaalsContact O-CG2 3.29Å; N216-V220 WeakPolarHBondContact O-CG2 3.36Å; N216-V220 PolarHBondContact O-N 2.84Å |
| 217 | T | 95.5 | Very high | 95.2 | Very high | 22 Ų | 22 | 78.8 Ų | 78.8 | 14% | 0.135 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -63.8 | -44.8 | 174.3 | -58.3 | 0 | 0 | 0 | 0 | 111 | H151 H214 D215 T221 | H151-T217 HydrophobicContact CB-CG2 4.19Å; H151-T217 VanDerWaalsContact CD2-CG2 3.42Å; H151-T217 WeakPolarHBondContact CD2-CG2 3.42Å; H214-T217 WeakPolarHBondContact O-CA 3.39Å; H214-T217 VanDerWaalsContact O-CB 3.25Å; H214-T217 WeakPolarHBondContact O-CB 3.44Å; H214-T217 PolarHBondContact O-N 3.35Å; D215-T217 VanDerWaalsContact C-N 3.34Å; D215-T217 PolarHBondContact O-N 3.2Å; T217-T221 PolarHBondContact O-N 2.85Å; T217-T221 PolarHBondContact O-OG1 2.76Å |
| 218 | M | 96 | Very high | 95.9 | Very high | 113 Ų | 113 | 75 Ų | 75 | 56% | 0.557 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -62 | -46.4 | 175.6 | -68.2 | -178.9 | 64.1 | 0 | 0 | 111.4 | H214 D215 T221 M222 | H214-M218 PolarHBondContact O-N 2.94Å; D215-M218 PolarHBondContact O-N 2.87Å; M218-T221 WeakPolarHBondContact O-CB 3.4Å; M218-T221 PolarHBondContact O-N 3.32Å; M218-M222 PolarHBondContact O-N 3.17Å |
| 219 | F | 96.6 | Very high | 96.2 | Very high | 92 Ų | 92 | 71.5 Ų | 71.5 | 40% | 0.404 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -61.2 | -47.9 | 179 | 179 | -100.6 | 0 | 0 | 0 | 112.3 | W209 D215 N216 T221 M222 C223 | W209-F219 AromaticContact CH2-CD1 3.73Å; W209-F219 HydrophobicContact CH2-CD1 3.73Å; W209-F219 AromaticContact CH2-CE1 3.73Å; W209-F219 HydrophobicContact CH2-CE1 3.73Å; W209-F219 HydrophobicContact CZ3-CD1 4.02Å; W209-F219 HydrophobicContact CZ3-CE1 4.47Å; D215-F219 WeakPolarHBondContact O-CB 3.49Å; D215-F219 PolarHBondContact O-N 2.83Å; N216-F219 PolarHBondContact O-N 3.4Å; F219-T221 VanDerWaalsContact C-N 3.28Å; F219-T221 PolarHBondContact O-N 2.82Å; F219-M222 HydrophobicContact CD2-CE 3.77Å; F219-M222 HydrophobicContact CE2-CE 3.79Å; F219-M222 WeakPolarHBondContact O-CB 3.22Å; F219-M222 PolarHBondContact O-N 3.32Å; F219-M222 VanDerWaalsContact O-N 3.13Å; F219-C223 WeakPolarHBondContact CE1-SG 3.2Å; F219-C223 VanDerWaalsContact CZ-SG 3.56Å; F219-C223 PolarHBondContact O-N 2.93Å; F219-C223 PolarHBondContact O-SG 3.49Å; F219-C223 VanDerWaalsContact O-SG 3.36Å |
| 220 | V | 96.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 71.9 Ų | 71.9 | 0% | 0 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.5 | -39 | 177.3 | 168 | 0 | 0 | 0 | 0 | 110.9 | L148 I152 L155 W193 V200 N216 M222 C223 F224 | L148-V220 HydrophobicContact CD1-CB 4.47Å; L148-V220 HydrophobicContact CD1-CG2 4.08Å; I152-V220 HydrophobicContact CB-CG1 4.16Å; I152-V220 HydrophobicContact CD1-CG1 3.91Å; I152-V220 HydrophobicContact CD1-CG2 4.42Å; I152-V220 HydrophobicContact CG1-CG1 3.68Å; L155-V220 HydrophobicContact CD1-CG1 4Å; W193-V220 HydrophobicContact CH2-CG1 3.78Å; W193-V220 WeakPolarHBondContact CH2-O 3.45Å; W193-V220 HydrophobicContact CZ2-CG1 3.68Å; V200-V220 HydrophobicContact CG2-CG2 4.41Å; N216-V220 WeakPolarHBondContact O-CB 2.9Å; N216-V220 VanDerWaalsContact O-CG2 3.29Å; N216-V220 WeakPolarHBondContact O-CG2 3.36Å; N216-V220 PolarHBondContact O-N 2.84Å; V220-M222 VanDerWaalsContact C-N 3.32Å; V220-M222 PolarHBondContact O-N 2.98Å; V220-C223 WeakPolarHBondContact O-CB 3.39Å; V220-C223 PolarHBondContact O-N 2.86Å; V220-F224 PolarHBondContact O-N 3.45Å |
| 221 | T | 97.1 | Very high | 96.7 | Very high | 52 Ų | 52 | 67.5 Ų | 67.5 | 32% | 0.319 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -60.8 | -42.5 | 175 | -51.3 | 0 | 0 | 0 | 0 | 111.8 | H151 T217 M218 F219 F224 C225 | H151-T221 PolarHBondContact NE2-OG1 3.45Å; T217-T221 PolarHBondContact O-N 2.85Å; T217-T221 PolarHBondContact O-OG1 2.76Å; M218-T221 WeakPolarHBondContact O-CB 3.4Å; M218-T221 PolarHBondContact O-N 3.32Å; F219-T221 VanDerWaalsContact C-N 3.28Å; F219-T221 PolarHBondContact O-N 2.82Å; T221-F224 WeakPolarHBondContact O-CB 3.47Å; T221-F224 PolarHBondContact O-N 2.82Å; T221-C225 PolarHBondContact O-N 3.16Å |
| 222 | M | 97.9 | Very high | 97 | Very high | 83 Ų | 83 | 69.1 Ų | 69.1 | 41% | 0.409 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.4 | -177.3 | -174 | 71.7 | 0 | 0 | 111.5 | M218 F219 V220 F224 C225 W226 | M218-M222 PolarHBondContact O-N 3.17Å; F219-M222 HydrophobicContact CD2-CE 3.77Å; F219-M222 HydrophobicContact CE2-CE 3.79Å; F219-M222 WeakPolarHBondContact O-CB 3.22Å; F219-M222 PolarHBondContact O-N 3.32Å; F219-M222 VanDerWaalsContact O-N 3.13Å; V220-M222 VanDerWaalsContact C-N 3.32Å; V220-M222 PolarHBondContact O-N 2.98Å; M222-F224 VanDerWaalsContact C-N 3.26Å; M222-F224 PolarHBondContact O-N 2.95Å; M222-C225 WeakPolarHBondContact O-CB 3.32Å; M222-C225 PolarHBondContact O-N 3.37Å; M222-C225 VanDerWaalsContact O-N 3.15Å; M222-W226 HydrophobicContact CE-CZ2 4.48Å; M222-W226 PolarHBondContact O-N 3.09Å; M222-W226 VanDerWaalsContact O-N 3.15Å; M222-W226 HydrophobicContact SD-CZ2 4.46Å |
| 223 | C | 98.1 | Very high | 97.2 | Very high | 17 Ų | 17 | 65.9 Ų | 65.9 | 12% | 0.115 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -57.5 | -38.2 | 176.6 | -69.2 | 0 | 0 | 0 | 0 | 112.1 | W193 F219 V220 C225 W226 H227 | W193-C223 HydrophobicContact CH2-CB 4.43Å; W193-C223 HydrophobicContact CZ3-CB 4.36Å; F219-C223 WeakPolarHBondContact CE1-SG 3.2Å; F219-C223 VanDerWaalsContact CZ-SG 3.56Å; F219-C223 PolarHBondContact O-N 2.93Å; F219-C223 PolarHBondContact O-SG 3.49Å; F219-C223 VanDerWaalsContact O-SG 3.36Å; V220-C223 WeakPolarHBondContact O-CB 3.39Å; V220-C223 PolarHBondContact O-N 2.86Å; C223-C225 VanDerWaalsContact C-N 3.34Å; C223-C225 PolarHBondContact O-N 3.3Å; C223-W226 WeakPolarHBondContact O-CB 3.24Å; C223-W226 PolarHBondContact O-N 2.82Å; C223-W226 VanDerWaalsContact O-N 3.1Å; C223-H227 PolarHBondContact O-CD2 3.44Å; C223-H227 PolarHBondContact O-N 2.9Å |
| 224 | F | 98.3 | Very high | 97.4 | Very high | 17 Ų | 17 | 66.9 Ų | 66.9 | 8% | 0.075 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -57.7 | -46.2 | 176 | -172.2 | -100 | 0 | 0 | 0 | 112.4 | L155 V158 A159 L189 W193 V220 T221 M222 W226 H227 L228 | L155-F224 HydrophobicContact CB-CD2 3.79Å; L155-F224 HydrophobicContact CB-CE2 3.93Å; L155-F224 HydrophobicContact CB-CG 4.28Å; L155-F224 HydrophobicContact CD1-CB 4.14Å; L155-F224 HydrophobicContact CD1-CG 4.41Å; L155-F224 HydrophobicContact CD2-CB 4.47Å; L155-F224 HydrophobicContact CD2-CD1 4.2Å; L155-F224 HydrophobicContact CD2-CD2 4.47Å; L155-F224 HydrophobicContact CD2-CG 4.14Å; L155-F224 HydrophobicContact CG-CD2 4.49Å; L155-F224 WeakPolarHBondContact O-CE2 3.36Å; L155-F224 VanDerWaalsContact O-CZ 3.32Å; L155-F224 WeakPolarHBondContact O-CZ 3.45Å; V158-F224 HydrophobicContact CB-CZ 4.29Å; V158-F224 HydrophobicContact CG1-CE1 4.5Å; V158-F224 HydrophobicContact CG1-CZ 4.46Å; A159-F224 HydrophobicContact CB-CZ 4.39Å; L189-F224 HydrophobicContact CD1-CD2 4.23Å; L189-F224 HydrophobicContact CD1-CE2 4.01Å; L189-F224 HydrophobicContact CD1-CZ 4.38Å; L189-F224 HydrophobicContact CD2-CE1 4.1Å; L189-F224 HydrophobicContact CD2-CE2 4.05Å; L189-F224 HydrophobicContact CD2-CZ 3.63Å; L189-F224 HydrophobicContact CG-CE2 4.12Å; L189-F224 HydrophobicContact CG-CZ 4.22Å; W193-F224 AromaticContact CD2-CD2 3.55Å; W193-F224 HydrophobicContact CD2-CD2 3.55Å; W193-F224 HydrophobicContact CD2-CE2 4.09Å; W193-F224 AromaticContact CE2-CD2 3.59Å; W193-F224 HydrophobicContact CE3-CB 4.39Å; W193-F224 AromaticContact CE3-CD2 3.65Å; W193-F224 HydrophobicContact CE3-CD2 3.65Å; W193-F224 HydrophobicContact CE3-CE2 4.47Å; W193-F224 HydrophobicContact CE3-CG 4.48Å; W193-F224 HydrophobicContact CG-CD2 4.2Å; W193-F224 HydrophobicContact CG-CE2 4.27Å; W193-F224 HydrophobicContact CH2-CB 3.5Å; W193-F224 AromaticContact CH2-CD2 3.87Å; W193-F224 HydrophobicContact CH2-CD2 3.87Å; W193-F224 HydrophobicContact CH2-CG 4.2Å; W193-F224 HydrophobicContact CZ2-CB 4.03Å; W193-F224 AromaticContact CZ2-CD2 3.75Å; W193-F224 HydrophobicContact CZ2-CD2 3.75Å; W193-F224 HydrophobicContact CZ2-CG 4.36Å; W193-F224 HydrophobicContact CZ3-CB 3.71Å; W193-F224 AromaticContact CZ3-CD2 3.83Å; W193-F224 HydrophobicContact CZ3-CD2 3.83Å; W193-F224 HydrophobicContact CZ3-CG 4.26Å; V220-F224 PolarHBondContact O-N 3.45Å; T221-F224 WeakPolarHBondContact O-CB 3.47Å; T221-F224 PolarHBondContact O-N 2.82Å; M222-F224 VanDerWaalsContact C-N 3.26Å; M222-F224 PolarHBondContact O-N 2.95Å; F224-W226 VanDerWaalsContact C-N 3.27Å; F224-W226 PolarHBondContact O-N 3.2Å; F224-H227 PolarHBondContact O-N 3.31Å; F224-L228 PolarHBondContact O-N 3.29Å |
| 225 | C | 98.2 | Very high | 97.6 | Very high | 72 Ų | 72 | 61.1 Ų | 61.1 | 49% | 0.486 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.5 | -35.8 | 176.4 | -64 | 0 | 0 | 0 | 0 | 111.9 | T221 M222 C223 L228 A229 | T221-C225 PolarHBondContact O-N 3.16Å; M222-C225 WeakPolarHBondContact O-CB 3.32Å; M222-C225 PolarHBondContact O-N 3.37Å; M222-C225 VanDerWaalsContact O-N 3.15Å; C223-C225 VanDerWaalsContact C-N 3.34Å; C223-C225 PolarHBondContact O-N 3.3Å; C225-L228 PolarHBondContact O-N 3.2Å; C225-A229 WeakPolarHBondContact O-CB 3.32Å; C225-A229 PolarHBondContact O-N 3.18Å |
| 226 | W | 98.4 | Very high | 97.7 | Very high | 173 Ų | 173 | 57.3 Ų | 57.3 | 66% | 0.655 | 31% | 0.311 | S | S | * | . | H | α-helix | trans | -69.4 | -42.3 | 177.3 | -72.3 | 33.4 | 0 | 0 | 0 | 111.5 | M222 C223 F224 L228 A229 V230 | M222-W226 HydrophobicContact CE-CZ2 4.48Å; M222-W226 PolarHBondContact O-N 3.09Å; M222-W226 VanDerWaalsContact O-N 3.15Å; M222-W226 HydrophobicContact SD-CZ2 4.46Å; C223-W226 WeakPolarHBondContact O-CB 3.24Å; C223-W226 PolarHBondContact O-N 2.82Å; C223-W226 VanDerWaalsContact O-N 3.1Å; F224-W226 VanDerWaalsContact C-N 3.27Å; F224-W226 PolarHBondContact O-N 3.2Å; W226-L228 VanDerWaalsContact C-N 3.29Å; W226-L228 PolarHBondContact O-N 3.47Å; W226-A229 PolarHBondContact O-N 3.34Å; W226-V230 WeakPolarHBondContact O-CG2 3.29Å; W226-V230 PolarHBondContact O-N 3.44Å |
| 227 | H | 98.5 | Very high | 97.8 | Very high | 45 Ų | 45 | 59.7 Ų | 59.7 | 21% | 0.208 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -58.9 | -41.9 | 172.6 | -82.5 | -118.3 | 0 | 0 | 0 | 111.5 | L189 S192 W193 C223 F224 V230 A231 | L189-H227 HydrophobicContact CD1-CB 3.49Å; L189-H227 VanDerWaalsContact CD1-CB 3.49Å; S192-H227 WeakPolarHBondContact CB-ND1 3.25Å; S192-H227 PolarHBondContact OG-ND1 2.93Å; W193-H227 HydrophobicContact CE3-CB 4.46Å; C223-H227 PolarHBondContact O-CD2 3.44Å; C223-H227 PolarHBondContact O-N 2.9Å; F224-H227 PolarHBondContact O-N 3.31Å; H227-V230 PolarHBondContact O-N 2.95Å; H227-A231 WeakPolarHBondContact O-CB 3.46Å; H227-A231 PolarHBondContact O-N 3.01Å |
| 228 | L | 98.4 | Very high | 97.8 | Very high | 55 Ų | 55 | 60.1 Ų | 60.1 | 29% | 0.288 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.8 | -45.7 | 175.5 | 175.6 | 60.5 | 0 | 0 | 0 | 111.5 | L186 L189 F224 C225 W226 V230 A231 L232 | L186-L228 HydrophobicContact CD2-CD1 4.4Å; L189-L228 HydrophobicContact CD1-CB 4.41Å; L189-L228 HydrophobicContact CD2-CB 4.1Å; L189-L228 HydrophobicContact CD2-CD1 4.05Å; F224-L228 PolarHBondContact O-N 3.29Å; C225-L228 PolarHBondContact O-N 3.2Å; W226-L228 VanDerWaalsContact C-N 3.29Å; W226-L228 PolarHBondContact O-N 3.47Å; L228-V230 VanDerWaalsContact C-N 3.33Å; L228-V230 PolarHBondContact O-N 3.48Å; L228-A231 PolarHBondContact O-N 3.33Å; L228-L232 HydrophobicContact CD1-CD1 4.14Å; L228-L232 HydrophobicContact CD1-CG 4.16Å; L228-L232 HydrophobicContact CG-CD1 4.11Å; L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.22Å |
| 229 | A | 98.4 | Very high | 97.8 | Very high | 57 Ų | 57 | 57.9 Ų | 57.9 | 47% | 0.471 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60 | -43.4 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | C225 W226 L232 L233 | C225-A229 WeakPolarHBondContact O-CB 3.32Å; C225-A229 PolarHBondContact O-N 3.18Å; W226-A229 PolarHBondContact O-N 3.34Å; A229-L232 PolarHBondContact O-N 3.19Å; A229-L233 WeakPolarHBondContact O-CB 3.49Å; A229-L233 PolarHBondContact O-N 3.14Å |
| 230 | V | 98.4 | Very high | 97.7 | Very high | 85 Ų | 85 | 61.4 Ų | 61.4 | 52% | 0.515 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -64.5 | -43.8 | 175.9 | 171.3 | 0 | 0 | 0 | 0 | 111.2 | W226 H227 L228 L232 L233 I234 | W226-V230 WeakPolarHBondContact O-CG2 3.29Å; W226-V230 PolarHBondContact O-N 3.44Å; H227-V230 PolarHBondContact O-N 2.95Å; L228-V230 VanDerWaalsContact C-N 3.33Å; L228-V230 PolarHBondContact O-N 3.48Å; V230-L232 PolarHBondContact O-N 3.43Å; V230-L233 PolarHBondContact O-N 2.93Å; V230-I234 HydrophobicContact CG1-CD1 3.85Å; V230-I234 HydrophobicContact CG1-CG1 4.38Å; V230-I234 VanDerWaalsContact O-CG1 3.32Å; V230-I234 WeakPolarHBondContact O-CG1 3.37Å; V230-I234 PolarHBondContact O-N 2.93Å |
| 231 | A | 98.4 | Very high | 97.6 | Very high | 1 Ų | 1 | 66.2 Ų | 66.2 | 1% | 0.008 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -60.3 | -45 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | S185 I188 H227 L228 L233 I234 V235 | S185-A231 WeakPolarHBondContact O-CB 3.15Å; I188-A231 HydrophobicContact CB-CB 4.03Å; I188-A231 HydrophobicContact CG2-CB 3.77Å; H227-A231 WeakPolarHBondContact O-CB 3.46Å; H227-A231 PolarHBondContact O-N 3.01Å; L228-A231 PolarHBondContact O-N 3.33Å; A231-L233 VanDerWaalsContact C-N 3.34Å; A231-L233 PolarHBondContact O-N 3.46Å; A231-I234 PolarHBondContact O-N 3.43Å; A231-V235 WeakPolarHBondContact O-CG2 3.4Å; A231-V235 PolarHBondContact O-N 3.5Å |
| 232 | L | 98.3 | Very high | 97.3 | Very high | 86 Ų | 86 | 64 Ų | 64 | 45% | 0.45 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -61.7 | -41 | 175 | -70.4 | 169.5 | 0 | 0 | 0 | 111.9 | L228 A229 V230 V235 G236 | L228-L232 HydrophobicContact CD1-CD1 4.14Å; L228-L232 HydrophobicContact CD1-CG 4.16Å; L228-L232 HydrophobicContact CG-CD1 4.11Å; L228-L232 WeakPolarHBondContact O-CG 3.35Å; L228-L232 PolarHBondContact O-N 3.22Å; A229-L232 PolarHBondContact O-N 3.19Å; V230-L232 PolarHBondContact O-N 3.43Å; L232-V235 PolarHBondContact O-N 3.03Å; L232-G236 PolarHBondContact O-N 3Å |
| 233 | L | 98.3 | Very high | 97 | Very high | 106 Ų | 106 | 64.5 Ų | 64.5 | 56% | 0.555 | 33% | 0.329 | S | S | * | . | H | α-helix | trans | -65 | -44.5 | 177.8 | -179.3 | 138.5 | 0 | 0 | 0 | 111.8 | A229 V230 A231 V235 G236 I237 | A229-L233 WeakPolarHBondContact O-CB 3.49Å; A229-L233 PolarHBondContact O-N 3.14Å; V230-L233 PolarHBondContact O-N 2.93Å; A231-L233 VanDerWaalsContact C-N 3.34Å; A231-L233 PolarHBondContact O-N 3.46Å; L233-V235 VanDerWaalsContact C-N 3.34Å; L233-V235 PolarHBondContact O-N 3.31Å; L233-G236 PolarHBondContact O-N 3.42Å; L233-I237 HydrophobicContact CD2-CD1 3.48Å; L233-I237 VanDerWaalsContact CD2-CD1 3.48Å; L233-I237 HydrophobicContact CD2-CG1 4.48Å; L233-I237 HydrophobicContact CG-CD1 3.99Å; L233-I237 WeakPolarHBondContact O-CB 3.28Å; L233-I237 VanDerWaalsContact O-CG1 3.29Å; L233-I237 WeakPolarHBondContact O-CG1 3.49Å; L233-I237 PolarHBondContact O-N 3.42Å |
| 234 | I | 98.2 | Very high | 96.7 | Very high | 48 Ų | 48 | 65 Ų | 65 | 25% | 0.246 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -57.3 | -49.2 | 175 | -69.8 | 165.9 | 0 | 0 | 0 | 110.3 | L19 I188 V230 A231 G236 I237 N238 | L19-I234 HydrophobicContact CD2-CG2 3.87Å; I188-I234 HydrophobicContact CD1-CG2 4.25Å; V230-I234 HydrophobicContact CG1-CD1 3.85Å; V230-I234 HydrophobicContact CG1-CG1 4.38Å; V230-I234 VanDerWaalsContact O-CG1 3.32Å; V230-I234 WeakPolarHBondContact O-CG1 3.37Å; V230-I234 PolarHBondContact O-N 2.93Å; A231-I234 PolarHBondContact O-N 3.43Å; I234-G236 PolarHBondContact O-N 2.96Å; I234-I237 PolarHBondContact O-N 2.87Å; I234-N238 WeakPolarHBondContact O-CB 3.39Å; I234-N238 PolarHBondContact O-N 3.48Å; I234-N238 PolarHBondContact O-ND2 3.39Å |
| 235 | V | 97.9 | Very high | 96.2 | Very high | 5 Ų | 5 | 67.2 Ų | 67.2 | 3% | 0.03 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -64.6 | -41.2 | -179.9 | 173.1 | 0 | 0 | 0 | 0 | 111.4 | L181 V184 S185 I188 A231 L232 L233 N238 Y239 | L181-V235 HydrophobicContact CB-CG1 4.01Å; L181-V235 HydrophobicContact CD2-CG1 3.54Å; L181-V235 HydrophobicContact CG-CG1 4.25Å; V184-V235 HydrophobicContact CG1-CG2 3.78Å; S185-V235 WeakPolarHBondContact OG-CG2 3.35Å; I188-V235 HydrophobicContact CD1-CG2 3.89Å; A231-V235 WeakPolarHBondContact O-CG2 3.4Å; A231-V235 PolarHBondContact O-N 3.5Å; L232-V235 PolarHBondContact O-N 3.03Å; L233-V235 VanDerWaalsContact C-N 3.34Å; L233-V235 PolarHBondContact O-N 3.31Å; V235-N238 PolarHBondContact O-N 2.9Å; V235-Y239 WeakPolarHBondContact O-CB 3.47Å; V235-Y239 PolarHBondContact O-N 3.48Å |
| 236 | G | 97.4 | Very high | 95.6 | Very high | 41 Ų | 41 | 64.4 Ų | 64.4 | 42% | 0.423 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -62.9 | -44 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113 | L232 L233 I234 Y239 W240 | L232-G236 PolarHBondContact O-N 3Å; L233-G236 PolarHBondContact O-N 3.42Å; I234-G236 PolarHBondContact O-N 2.96Å; G236-Y239 PolarHBondContact O-N 2.89Å; G236-W240 PolarHBondContact O-N 2.83Å |
| 237 | I | 97.5 | Very high | 95 | Very high | 83 Ų | 83 | 60.8 Ų | 60.8 | 43% | 0.426 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.6 | -47.8 | 175.3 | -70.3 | 170.7 | 0 | 0 | 0 | 110.3 | L233 I234 Y239 W240 M241 | L233-I237 HydrophobicContact CD2-CD1 3.48Å; L233-I237 VanDerWaalsContact CD2-CD1 3.48Å; L233-I237 HydrophobicContact CD2-CG1 4.48Å; L233-I237 HydrophobicContact CG-CD1 3.99Å; L233-I237 WeakPolarHBondContact O-CB 3.28Å; L233-I237 VanDerWaalsContact O-CG1 3.29Å; L233-I237 WeakPolarHBondContact O-CG1 3.49Å; L233-I237 PolarHBondContact O-N 3.42Å; I234-I237 PolarHBondContact O-N 2.87Å; I237-Y239 VanDerWaalsContact C-N 3.28Å; I237-Y239 PolarHBondContact O-N 3.1Å; I237-W240 PolarHBondContact O-N 3.3Å; I237-M241 HydrophobicContact CG2-CG 4.21Å; I237-M241 HydrophobicContact CG2-SD 3.75Å; I237-M241 WeakPolarHBondContact O-CB 3.02Å; I237-M241 VanDerWaalsContact O-CG 3.31Å; I237-M241 WeakPolarHBondContact O-CG 3.43Å; I237-M241 PolarHBondContact O-N 2.83Å |
| 238 | N | 96.8 | Very high | 94.3 | Very high | 31 Ų | 31 | 68.1 Ų | 68.1 | 17% | 0.166 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63.8 | -34.6 | 179.2 | -75.3 | -28.2 | 0 | 0 | 0 | 112.3 | S22 V23 I234 V235 G242 | S22-N238 VanDerWaalsContact O-CB 3.25Å; S22-N238 WeakPolarHBondContact O-CB 3.41Å; S22-N238 PolarHBondContact OG-ND2 3.28Å; V23-N238 HydrophobicContact CG2-CB 4.42Å; I234-N238 WeakPolarHBondContact O-CB 3.39Å; I234-N238 PolarHBondContact O-N 3.48Å; I234-N238 PolarHBondContact O-ND2 3.39Å; V235-N238 PolarHBondContact O-N 2.9Å; N238-G242 PolarHBondContact O-N 3.37Å |
| 239 | Y | 95.6 | Very high | 93.3 | Very high | 66 Ų | 66 | 69.2 Ų | 69.2 | 26% | 0.259 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -62.4 | -50.1 | 172.3 | -174.6 | -83.5 | 0 | 0 | 0 | 111.9 | P26 I177 L181 V235 G236 I237 M241 G242 W243 | P26-Y239 HydrophobicContact CB-CD2 3.72Å; P26-Y239 HydrophobicContact CB-CG 4.23Å; P26-Y239 HydrophobicContact CG-CD2 4.1Å; I177-Y239 HydrophobicContact CG1-CE2 4.08Å; L181-Y239 HydrophobicContact CD1-CD2 4.02Å; L181-Y239 HydrophobicContact CD1-CE2 4.4Å; L181-Y239 HydrophobicContact CD2-CD2 4.22Å; V235-Y239 WeakPolarHBondContact O-CB 3.47Å; V235-Y239 PolarHBondContact O-N 3.48Å; G236-Y239 PolarHBondContact O-N 2.89Å; I237-Y239 VanDerWaalsContact C-N 3.28Å; I237-Y239 PolarHBondContact O-N 3.1Å; Y239-M241 PolarHBondContact O-N 2.8Å; Y239-G242 PolarHBondContact O-N 3.34Å; Y239-W243 WeakPolarHBondContact O-CB 3.33Å; Y239-W243 PolarHBondContact O-N 3.16Å |
| 240 | W | 95.5 | Very high | 91.8 | Very high | 167 Ų | 167 | 67.9 Ų | 67.9 | 63% | 0.633 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -61 | -44.6 | 177.6 | 179 | 80.4 | 0 | 0 | 0 | 112 | G236 I237 G242 W243 C244 | G236-W240 PolarHBondContact O-N 2.83Å; I237-W240 PolarHBondContact O-N 3.3Å; W240-G242 PolarHBondContact O-N 2.92Å; W240-W243 WeakPolarHBondContact O-CB 3.38Å; W240-W243 PolarHBondContact O-N 3.23Å; W240-C244 PolarHBondContact O-N 2.94Å; W240-C244 PolarHBondContact O-SG 3.47Å; W240-C244 VanDerWaalsContact O-SG 3.4Å |
| 241 | M | 93.8 | Very high | 90.1 | Very high | 101 Ų | 101 | 65.6 Ų | 65.6 | 50% | 0.498 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61 | -44.2 | 175.6 | -72.8 | 178.4 | 65.6 | 0 | 0 | 112 | I237 Y239 W243 C244 C245 | I237-M241 HydrophobicContact CG2-CG 4.21Å; I237-M241 HydrophobicContact CG2-SD 3.75Å; I237-M241 WeakPolarHBondContact O-CB 3.02Å; I237-M241 VanDerWaalsContact O-CG 3.31Å; I237-M241 WeakPolarHBondContact O-CG 3.43Å; I237-M241 PolarHBondContact O-N 2.83Å; Y239-M241 PolarHBondContact O-N 2.8Å; M241-W243 VanDerWaalsContact C-N 3.34Å; M241-W243 PolarHBondContact O-N 2.94Å; M241-C244 PolarHBondContact O-N 3.25Å; M241-C245 WeakPolarHBondContact O-CB 3.38Å; M241-C245 PolarHBondContact O-N 2.97Å |
| 242 | G | 91.3 | Very high | 88.2 | Confident | 4 Ų | 4 | 72.9 Ų | 72.9 | 4% | 0.041 | 37% | 0.371 | C | S | . | . | H | α-helix | trans | -61.8 | -42.4 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N238 Y239 W240 C245 V246 | N238-G242 PolarHBondContact O-N 3.37Å; Y239-G242 PolarHBondContact O-N 3.34Å; W240-G242 PolarHBondContact O-N 2.92Å; G242-C245 PolarHBondContact O-N 3.49Å; G242-V246 WeakPolarHBondContact O-CG2 3.44Å; G242-V246 PolarHBondContact O-N 3.41Å |
| 243 | W | 90.9 | Very high | 86.3 | Confident | 94 Ų | 94 | 70.4 Ų | 70.4 | 36% | 0.356 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -59.9 | -51.3 | 173.1 | 177.8 | -97.3 | 0 | 0 | 0 | 111.9 | C30 Y239 W240 M241 C245 V246 Q247 | C30-W243 HydrophobicContact CB-CE3 4.32Å; Y239-W243 WeakPolarHBondContact O-CB 3.33Å; Y239-W243 PolarHBondContact O-N 3.16Å; W240-W243 WeakPolarHBondContact O-CB 3.38Å; W240-W243 PolarHBondContact O-N 3.23Å; M241-W243 VanDerWaalsContact C-N 3.34Å; M241-W243 PolarHBondContact O-N 2.94Å; W243-C245 VanDerWaalsContact C-N 3.32Å; W243-C245 PolarHBondContact O-N 2.93Å; W243-V246 PolarHBondContact O-N 3.21Å; W243-Q247 VanDerWaalsContact CZ2-NE2 3.29Å; W243-Q247 VanDerWaalsContact NE1-CD 3.27Å; W243-Q247 WeakPolarHBondContact O-CG 3.24Å; W243-Q247 PolarHBondContact O-N 2.96Å |
| 244 | C | 91.8 | Very high | 84.3 | Confident | 29 Ų | 29 | 66.7 Ų | 66.7 | 20% | 0.196 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -59.7 | -40.1 | 177.4 | -72.3 | 0 | 0 | 0 | 0 | 112.7 | W240 M241 Q247 R248 | W240-C244 PolarHBondContact O-N 2.94Å; W240-C244 PolarHBondContact O-SG 3.47Å; W240-C244 VanDerWaalsContact O-SG 3.4Å; M241-C244 PolarHBondContact O-N 3.25Å; C244-Q247 PolarHBondContact O-N 3.02Å; C244-R248 WeakPolarHBondContact O-CB 3.32Å; C244-R248 WeakPolarHBondContact O-CG 3.41Å; C244-R248 PolarHBondContact O-N 3.43Å |
| 245 | C | 88.8 | Confident | 82.2 | Confident | 62 Ų | 62 | 69.9 Ų | 69.9 | 42% | 0.419 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -61.6 | -51 | 177.9 | -174 | 0 | 0 | 0 | 0 | 111.2 | L27 M241 G242 W243 Q247 R248 C249 | L27-C245 HydrophobicContact CD2-CB 4.39Å; M241-C245 WeakPolarHBondContact O-CB 3.38Å; M241-C245 PolarHBondContact O-N 2.97Å; G242-C245 PolarHBondContact O-N 3.49Å; W243-C245 VanDerWaalsContact C-N 3.32Å; W243-C245 PolarHBondContact O-N 2.93Å; C245-Q247 VanDerWaalsContact C-N 3.27Å; C245-Q247 PolarHBondContact O-N 3.15Å; C245-R248 PolarHBondContact O-N 3.2Å; C245-C249 WeakPolarHBondContact O-CB 3.15Å; C245-C249 PolarHBondContact O-N 2.92Å; C245-C249 PolarHBondContact O-SG 2.96Å; C245-C249 VanDerWaalsContact O-SG 3.36Å |
| 246 | V | 85.8 | Confident | 80.2 | Confident | 14 Ų | 14 | 75 Ų | 75 | 9% | 0.085 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64 | -33.2 | 177.5 | 174.5 | 0 | 0 | 0 | 0 | 111.6 | L27 C30 R34 G242 W243 | L27-V246 HydrophobicContact CD2-CG2 4.4Å; C30-V246 HydrophobicContact CB-CB 4.18Å; C30-V246 HydrophobicContact CB-CG1 4.45Å; C30-V246 HydrophobicContact CB-CG2 3.91Å; R34-V246 HydrophobicContact CB-CG1 4.43Å; R34-V246 PolarHBondContact NH1-O 2.88Å; R34-V246 VanDerWaalsContact NH1-O 3.13Å; G242-V246 WeakPolarHBondContact O-CG2 3.44Å; G242-V246 PolarHBondContact O-N 3.41Å; W243-V246 PolarHBondContact O-N 3.21Å |
| 247 | Q | 85.3 | Confident | 78.2 | Confident | 97 Ų | 97 | 80 Ų | 80 | 45% | 0.453 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64.2 | -49.3 | 172.9 | -76.2 | -164.9 | -18.5 | 0 | 0 | 112.8 | W243 C244 C245 A250 G251 | W243-Q247 VanDerWaalsContact CZ2-NE2 3.29Å; W243-Q247 VanDerWaalsContact NE1-CD 3.27Å; W243-Q247 WeakPolarHBondContact O-CG 3.24Å; W243-Q247 PolarHBondContact O-N 2.96Å; C244-Q247 PolarHBondContact O-N 3.02Å; C245-Q247 VanDerWaalsContact C-N 3.27Å; C245-Q247 PolarHBondContact O-N 3.15Å; Q247-A250 PolarHBondContact O-N 3.27Å; Q247-G251 PolarHBondContact O-N 3.35Å |
| 248 | R | 84.3 | Confident | 76.3 | Confident | 199 Ų | 199 | 80.8 Ų | 80.8 | 75% | 0.751 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -66.9 | -43.2 | -178.6 | -74.6 | 179.5 | 174.5 | 179.3 | -0.7 | 113.3 | C244 C245 A250 G251 K252 | C244-R248 WeakPolarHBondContact O-CB 3.32Å; C244-R248 WeakPolarHBondContact O-CG 3.41Å; C244-R248 PolarHBondContact O-N 3.43Å; C245-R248 PolarHBondContact O-N 3.2Å; R248-A250 PolarHBondContact O-N 3.37Å; R248-G251 PolarHBondContact O-N 3.37Å; R248-K252 PolarHBondContact O-N 3.2Å |
| 249 | C | 76.1 | Confident | 74.3 | Confident | 78 Ų | 78 | 80.7 Ų | 80.7 | 53% | 0.527 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -60.3 | -31.3 | -179.9 | -73.6 | 0 | 0 | 0 | 0 | 112.6 | C245 G253 | C245-C249 WeakPolarHBondContact O-CB 3.15Å; C245-C249 PolarHBondContact O-N 2.92Å; C245-C249 PolarHBondContact O-SG 2.96Å; C245-C249 VanDerWaalsContact O-SG 3.36Å; C249-G253 PolarHBondContact O-N 3.45Å |
| 250 | A | 68.2 | Low | 72.1 | Confident | 28 Ų | 28 | 82.8 Ų | 82.8 | 23% | 0.231 | 43% | 0.434 | C | S | . | . | H | α-helix | trans | -90.5 | -23.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | R34 Q247 R248 K252 G253 G254 | R34-A250 VanDerWaalsContact NH1-CB 3.32Å; Q247-A250 PolarHBondContact O-N 3.27Å; R248-A250 PolarHBondContact O-N 3.37Å; A250-K252 VanDerWaalsContact C-N 3.27Å; A250-G253 PolarHBondContact O-N 3.44Å; A250-G254 PolarHBondContact O-N 3.44Å |
| 251 | G | 61.1 | Low | 70.1 | Confident | 37 Ų | 37 | 84.8 Ų | 84.8 | 38% | 0.381 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -57.4 | -45.5 | 164.7 | 0 | 0 | 0 | 0 | 0 | 110.6 | Q247 R248 G253 G254 D255 | Q247-G251 PolarHBondContact O-N 3.35Å; R248-G251 PolarHBondContact O-N 3.37Å; G251-G253 PolarHBondContact O-N 3.45Å; G251-G254 PolarHBondContact O-N 3.4Å; G251-D255 PolarHBondContact O-N 2.87Å; G251-D255 VanDerWaalsContact O-N 3.14Å |
| 252 | K | 59.9 | Low | 68.2 | Low | 155 Ų | 155 | 87.2 Ų | 87.2 | 67% | 0.674 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -63.4 | -38.7 | 175.1 | -68.7 | -175.7 | 174.8 | -175.6 | 0 | 113.8 | R248 A250 I256 | R248-K252 PolarHBondContact O-N 3.2Å; A250-K252 VanDerWaalsContact C-N 3.27Å; K252-I256 WeakPolarHBondContact O-CD1 3.47Å; K252-I256 VanDerWaalsContact O-CG1 3.26Å; K252-I256 WeakPolarHBondContact O-CG1 3.49Å; K252-I256 PolarHBondContact O-N 3.45Å |
| 253 | G | 58 | Low | 66.5 | Low | 34 Ų | 34 | 91.1 Ų | 91.1 | 35% | 0.351 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.3 | -39.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 113.5 | C249 A250 G251 I256 E257 | C249-G253 PolarHBondContact O-N 3.45Å; A250-G253 PolarHBondContact O-N 3.44Å; G251-G253 PolarHBondContact O-N 3.45Å; G253-I256 PolarHBondContact O-N 2.73Å; G253-E257 PolarHBondContact O-N 3.39Å; G253-E257 VanDerWaalsContact O-N 3.08Å |
| 254 | G | 56.8 | Low | 64.8 | Low | 27 Ų | 27 | 93.1 Ų | 93.1 | 28% | 0.278 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -39.5 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.9 | A250 G251 I256 E257 I258 | A250-G254 PolarHBondContact O-N 3.44Å; G251-G254 PolarHBondContact O-N 3.4Å; G254-I256 VanDerWaalsContact C-N 3.32Å; G254-I256 PolarHBondContact O-N 2.97Å; G254-E257 PolarHBondContact O-N 3Å; G254-I258 WeakPolarHBondContact O-CB 3.34Å; G254-I258 WeakPolarHBondContact O-CD1 3.3Å; G254-I258 VanDerWaalsContact O-CG1 3.25Å; G254-I258 WeakPolarHBondContact O-CG1 3.36Å; G254-I258 PolarHBondContact O-N 3.25Å |
| 255 | D | 54.2 | Low | 63.1 | Low | 116 Ų | 116 | 95.7 Ų | 95.7 | 62% | 0.62 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.1 | -36 | 176.6 | -70 | -21.7 | 0 | 0 | 0 | 112.2 | G251 G259 | G251-D255 PolarHBondContact O-N 2.87Å; G251-D255 VanDerWaalsContact O-N 3.14Å; D255-G259 PolarHBondContact O-N 3.4Å |
| 256 | I | 56.2 | Low | 61.7 | Low | 112 Ų | 112 | 96 Ų | 96 | 57% | 0.574 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -69 | -44.4 | 175.6 | -66.6 | 166 | 0 | 0 | 0 | 111.2 | K252 G253 G254 G259 M260 | K252-I256 WeakPolarHBondContact O-CD1 3.47Å; K252-I256 VanDerWaalsContact O-CG1 3.26Å; K252-I256 WeakPolarHBondContact O-CG1 3.49Å; K252-I256 PolarHBondContact O-N 3.45Å; G253-I256 PolarHBondContact O-N 2.73Å; G254-I256 VanDerWaalsContact C-N 3.32Å; G254-I256 PolarHBondContact O-N 2.97Å; I256-G259 PolarHBondContact O-N 3.24Å; I256-M260 HydrophobicContact CG2-SD 4.49Å; I256-M260 PolarHBondContact O-N 3.01Å |
| 257 | E | 54.1 | Low | 60.3 | Low | 147 Ų | 147 | 100.7 Ų | 100.7 | 69% | 0.687 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -65.1 | -40.9 | 176.6 | -83.3 | -171.7 | 158.7 | 0 | 0 | 112.3 | G253 G254 M260 R261 | G253-E257 PolarHBondContact O-N 3.39Å; G253-E257 VanDerWaalsContact O-N 3.08Å; G254-E257 PolarHBondContact O-N 3Å; E257-M260 PolarHBondContact O-N 2.86Å; E257-R261 WeakPolarHBondContact O-CB 3.45Å; E257-R261 PolarHBondContact O-N 3.04Å |
| 258 | I | 58.5 | Low | 59 | Low | 98 Ų | 98 | 103.8 Ų | 103.8 | 50% | 0.503 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -65.3 | -41 | 175.4 | -70.5 | 163.4 | 0 | 0 | 0 | 110.8 | G254 R261 K262 | G254-I258 WeakPolarHBondContact O-CB 3.34Å; G254-I258 WeakPolarHBondContact O-CD1 3.3Å; G254-I258 VanDerWaalsContact O-CG1 3.25Å; G254-I258 WeakPolarHBondContact O-CG1 3.36Å; G254-I258 PolarHBondContact O-N 3.25Å; I258-R261 PolarHBondContact O-N 2.95Å; I258-K262 PolarHBondContact O-N 2.69Å |
| 259 | G | 53.2 | Low | 57.7 | Low | 30 Ų | 30 | 96.9 Ų | 96.9 | 31% | 0.309 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -58.2 | -52.3 | 173.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | D255 I256 R261 K262 T263 | D255-G259 PolarHBondContact O-N 3.4Å; I256-G259 PolarHBondContact O-N 3.24Å; G259-R261 VanDerWaalsContact C-N 3.33Å; G259-R261 PolarHBondContact O-N 2.93Å; G259-K262 PolarHBondContact O-N 2.7Å; G259-T263 PolarHBondContact O-N 2.98Å; G259-T263 PolarHBondContact O-OG1 2.81Å |
| 260 | M | 50.9 | Low | 56.8 | Low | 110 Ų | 110 | 98.7 Ų | 98.7 | 54% | 0.542 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -60.1 | -40 | 177.6 | -78.2 | -179.6 | 61.6 | 0 | 0 | 112.8 | I256 E257 T263 F264 | I256-M260 HydrophobicContact CG2-SD 4.49Å; I256-M260 PolarHBondContact O-N 3.01Å; E257-M260 PolarHBondContact O-N 2.86Å; M260-T263 PolarHBondContact O-N 3.46Å; M260-F264 WeakPolarHBondContact O-CD2 3.37Å; M260-F264 PolarHBondContact O-N 3.16Å |
| 261 | R | 53.1 | Low | 56.3 | Low | 209 Ų | 209 | 102.3 Ų | 102.3 | 79% | 0.789 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -66.3 | -38.3 | 179.1 | -134.7 | 178.8 | -172.1 | -156 | 1.3 | 112.2 | E257 I258 G259 S265 | E257-R261 WeakPolarHBondContact O-CB 3.45Å; E257-R261 PolarHBondContact O-N 3.04Å; I258-R261 PolarHBondContact O-N 2.95Å; G259-R261 VanDerWaalsContact C-N 3.33Å; G259-R261 PolarHBondContact O-N 2.93Å; R261-S265 WeakPolarHBondContact O-CB 3.34Å; R261-S265 PolarHBondContact O-N 3.36Å |
| 262 | K | 54.4 | Low | 56 | Low | 152 Ų | 152 | 106.9 Ų | 106.9 | 66% | 0.661 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -65.2 | -42.2 | 172.7 | -80.3 | -177 | 175.8 | -178.2 | 0 | 111.6 | I258 G259 S265 S266 | I258-K262 PolarHBondContact O-N 2.69Å; G259-K262 PolarHBondContact O-N 2.7Å; K262-S265 PolarHBondContact O-N 2.6Å; K262-S266 WeakPolarHBondContact O-CB 3.36Å; K262-S266 PolarHBondContact O-N 3.18Å |
| 263 | T | 56 | Low | 55.8 | Low | 86 Ų | 86 | 105.4 Ų | 105.4 | 53% | 0.528 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -62.3 | -47.6 | 176.6 | -45.7 | 0 | 0 | 0 | 0 | 111.3 | G259 M260 S265 S266 Q267 | G259-T263 PolarHBondContact O-N 2.98Å; G259-T263 PolarHBondContact O-OG1 2.81Å; M260-T263 PolarHBondContact O-N 3.46Å; T263-S265 PolarHBondContact O-N 3.15Å; T263-S266 PolarHBondContact O-N 3.36Å; T263-Q267 WeakPolarHBondContact O-CB 3.3Å; T263-Q267 PolarHBondContact O-N 2.93Å |
| 264 | F | 54.7 | Low | 55.6 | Low | 135 Ų | 135 | 107 Ų | 107 | 59% | 0.592 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -62.6 | -38.6 | 176.4 | -95.8 | -83.3 | 0 | 0 | 0 | 113.1 | M260 K268 | M260-F264 WeakPolarHBondContact O-CD2 3.37Å; M260-F264 PolarHBondContact O-N 3.16Å; F264-K268 WeakPolarHBondContact O-CB 3.36Å; F264-K268 PolarHBondContact O-N 3.37Å |
| 265 | S | 55.9 | Low | 55.4 | Low | 83 Ų | 83 | 112.2 Ų | 112.2 | 58% | 0.58 | 58% | 0.581 | S | S | * | * | H | α-helix | trans | -63.8 | -43.6 | 174.3 | -178.6 | 0 | 0 | 0 | 0 | 111.8 | R261 K262 T263 K268 A269 | R261-S265 WeakPolarHBondContact O-CB 3.34Å; R261-S265 PolarHBondContact O-N 3.36Å; K262-S265 PolarHBondContact O-N 2.6Å; T263-S265 PolarHBondContact O-N 3.15Å; S265-K268 PolarHBondContact O-N 2.89Å; S265-A269 PolarHBondContact O-N 3.48Å |
| 266 | S | 58.9 | Low | 55.3 | Low | 69 Ų | 69 | 114.5 Ų | 114.5 | 48% | 0.483 | 59% | 0.587 | S | S | . | * | H | α-helix | trans | -67 | -37.9 | 178.6 | -169.2 | 0 | 0 | 0 | 0 | 111.8 | K262 T263 A269 L270 | K262-S266 WeakPolarHBondContact O-CB 3.36Å; K262-S266 PolarHBondContact O-N 3.18Å; T263-S266 PolarHBondContact O-N 3.36Å; S266-A269 PolarHBondContact O-N 2.92Å; S266-L270 WeakPolarHBondContact O-CG 3.33Å; S266-L270 PolarHBondContact O-N 3.01Å; S266-L270 VanDerWaalsContact O-N 3.08Å |
| 267 | Q | 57.1 | Low | 54.7 | Low | 112 Ų | 112 | 120.8 Ų | 120.8 | 52% | 0.523 | 61% | 0.614 | S | S | . | * | H | α-helix | trans | -70 | -36.1 | 178.2 | -140 | 175.9 | -12.1 | 0 | 0 | 111.8 | T263 L271 | T263-Q267 WeakPolarHBondContact O-CB 3.3Å; T263-Q267 PolarHBondContact O-N 2.93Å; Q267-L271 WeakPolarHBondContact O-CG 3.41Å; Q267-L271 PolarHBondContact O-N 3.48Å; Q267-L271 VanDerWaalsContact O-N 3.16Å |
| 268 | K | 56.6 | Low | 54.7 | Low | 162 Ų | 162 | 119.5 Ų | 119.5 | 70% | 0.704 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -65.1 | -41.2 | 172 | -110.8 | -171.9 | 172.9 | -168.7 | 0 | 112.5 | F264 S265 L271 Q272 | F264-K268 WeakPolarHBondContact O-CB 3.36Å; F264-K268 PolarHBondContact O-N 3.37Å; S265-K268 PolarHBondContact O-N 2.89Å; K268-L271 PolarHBondContact O-N 3.03Å; K268-Q272 WeakPolarHBondContact O-CB 3.15Å; K268-Q272 PolarHBondContact O-N 3.46Å; K268-Q272 VanDerWaalsContact O-N 3.13Å |
| 269 | A | 57.9 | Low | 54.5 | Low | 55 Ų | 55 | 120.6 Ų | 120.6 | 46% | 0.455 | 62% | 0.616 | S | S | . | * | H | α-helix | trans | -64.3 | -42 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | S265 S266 L271 Q272 D273 | S265-A269 PolarHBondContact O-N 3.48Å; S266-A269 PolarHBondContact O-N 2.92Å; A269-L271 PolarHBondContact O-N 2.77Å; A269-Q272 PolarHBondContact O-N 3.19Å; A269-D273 PolarHBondContact O-N 3.27Å; A269-D273 VanDerWaalsContact O-N 3.15Å |
| 270 | L | 57.5 | Low | 54.6 | Low | 115 Ų | 115 | 125.7 Ų | 125.7 | 60% | 0.602 | 63% | 0.634 | S | S | * | * | H | α-helix | trans | -67 | -33.8 | 177.8 | -77.9 | 167.3 | 0 | 0 | 0 | 114 | S266 Q272 S274 | S266-L270 WeakPolarHBondContact O-CG 3.33Å; S266-L270 PolarHBondContact O-N 3.01Å; S266-L270 VanDerWaalsContact O-N 3.08Å; L270-Q272 VanDerWaalsContact C-N 3.34Å; L270-S274 PolarHBondContact O-N 2.96Å |
| 271 | L | 56.3 | Low | 54.8 | Low | 105 Ų | 105 | 126.6 Ų | 126.6 | 55% | 0.55 | 64% | 0.639 | S | S | . | * | H | α-helix | trans | -74.3 | -27.7 | 175.4 | -74.1 | 166.7 | 0 | 0 | 0 | 112.2 | Q267 K268 A269 S274 | Q267-L271 WeakPolarHBondContact O-CG 3.41Å; Q267-L271 PolarHBondContact O-N 3.48Å; Q267-L271 VanDerWaalsContact O-N 3.16Å; K268-L271 PolarHBondContact O-N 3.03Å; A269-L271 PolarHBondContact O-N 2.77Å; L271-S274 PolarHBondContact O-OG 3.41Å |
| 272 | Q | 56.1 | Low | 54.9 | Low | 133 Ų | 133 | 121.4 Ų | 121.4 | 62% | 0.621 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -76.4 | -31.4 | 177.9 | -154 | 170 | -3.6 | 0 | 0 | 111.8 | K268 A269 L270 | K268-Q272 WeakPolarHBondContact O-CB 3.15Å; K268-Q272 PolarHBondContact O-N 3.46Å; K268-Q272 VanDerWaalsContact O-N 3.13Å; A269-Q272 PolarHBondContact O-N 3.19Å; L270-Q272 VanDerWaalsContact C-N 3.34Å |
| 273 | D | 55.6 | Low | 54.9 | Low | 123 Ų | 123 | 119.4 Ų | 119.4 | 66% | 0.658 | 63% | 0.627 | S | S | * | * | H | α-helix | trans | -71.8 | -24.4 | 171.7 | -99.8 | -3.9 | 0 | 0 | 0 | 113.2 | A269 | A269-D273 PolarHBondContact O-N 3.27Å; A269-D273 VanDerWaalsContact O-N 3.15Å |
| 274 | S | 53.4 | Low | 54.8 | Low | 69 Ų | 69 | 121.8 Ų | 121.8 | 48% | 0.483 | 64% | 0.635 | S | S | . | * | H | α-helix | trans | -86.2 | -15.4 | 179.8 | 75.4 | 0 | 0 | 0 | 0 | 114.5 | L270 L271 | L270-S274 PolarHBondContact O-N 2.96Å; L271-S274 PolarHBondContact O-OG 3.41Å |
| 275 | D | 52.4 | Low | 54.8 | Low | 136 Ų | 136 | 120.8 Ų | 120.8 | 73% | 0.727 | 64% | 0.638 | S | S | * | * | S | Bend | trans | -93.2 | -2.2 | 179.6 | -75.8 | -12 | 0 | 0 | 0 | 112.2 | ||
| 276 | E | 53.5 | Low | 54.8 | Low | 163 Ų | 163 | 123.9 Ų | 123.9 | 76% | 0.762 | 64% | 0.643 | S | S | * | * | trans | -101.1 | 7.2 | 178.2 | -70.8 | -163.7 | 176.6 | 0 | 0 | 114.9 | ||||
| 277 | E | 41.9 | Very low | 54.4 | Low | 245 Ų | 245 | 128.9 Ų | 128.9 | 100% | 1.145 | 66% | 0.657 | S | S | * | * | trans | -102.8 | 0 | 168.7 | -73.7 | -167.7 | 155.3 | 0 | 0 | 112.7 |
Retrieved 277 of 277 residues in 1140.4 ms
(Link to these results)