| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 34.4 | Very low | 71 | Confident | 217 Ų | 217 | 82.3 Ų | 82.3 | 100% | 1.069 | 43% | 0.43 | S | S | * | . | 0 | 115.9 | 0 | -73.1 | 171.3 | 171.4 | 0 | 0 | 107.4 | |||||
| 2 | A | 44.3 | Very low | 72.3 | Confident | 57 Ų | 57 | 79.3 Ų | 79.3 | 47% | 0.471 | 42% | 0.421 | S | S | . | . | trans | -62.5 | 136.2 | 162.6 | 0 | 0 | 0 | 0 | 0 | 106.8 | ||||
| 3 | H | 55.4 | Low | 73.7 | Confident | 136 Ų | 136 | 84 Ų | 84 | 63% | 0.63 | 43% | 0.429 | S | S | * | . | trans | -54.4 | 131.7 | 175.2 | -72.7 | -76.8 | 0 | 0 | 0 | 108.7 | H5 L6 L7 | H3-H5 PolarHBondContact O-N 3.43Å; H3-L6 HydrophobicContact CB-CD1 3.95Å; H3-L6 HydrophobicContact CB-CG 4.05Å; H3-L6 WeakPolarHBondContact O-CA 3.3Å; H3-L6 WeakPolarHBondContact O-CB 3.46Å; H3-L6 PolarHBondContact O-N 3.12Å; H3-L7 PolarHBondContact O-N 3.27Å | ||
| 4 | P | 61.6 | Low | 75 | Confident | 73 Ų | 73 | 78 Ų | 78 | 47% | 0.474 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -51.7 | -36.9 | -173.6 | -27.8 | 32.6 | 0 | 0 | 0 | 113.7 | L6 L7 A8 | P4-L6 PolarHBondContact O-N 3.18Å; P4-L7 PolarHBondContact O-N 2.66Å; P4-A8 PolarHBondContact O-N 2.86Å; P4-A8 VanDerWaalsContact O-N 3.11Å |
| 5 | H | 65.3 | Low | 76.1 | Confident | 160 Ų | 160 | 73.5 Ų | 73.5 | 74% | 0.741 | 38% | 0.377 | S | S | * | . | H | α-helix | trans | -63.6 | -37.5 | 175 | -78.3 | -67.7 | 0 | 0 | 0 | 114 | H3 L7 A8 E9 | H3-H5 PolarHBondContact O-N 3.43Å; H5-L7 VanDerWaalsContact C-N 3.31Å; H5-L7 PolarHBondContact O-N 3.16Å; H5-A8 PolarHBondContact O-N 3.38Å; H5-E9 WeakPolarHBondContact O-CB 3.46Å; H5-E9 PolarHBondContact O-N 3.43Å |
| 6 | L | 81.2 | Confident | 76.8 | Confident | 98 Ų | 98 | 72.9 Ų | 72.9 | 51% | 0.513 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -68 | -34.2 | 177.4 | -66 | 174.8 | 0 | 0 | 0 | 111.3 | H3 P4 R10 | H3-L6 HydrophobicContact CB-CD1 3.95Å; H3-L6 HydrophobicContact CB-CG 4.05Å; H3-L6 WeakPolarHBondContact O-CA 3.3Å; H3-L6 WeakPolarHBondContact O-CB 3.46Å; H3-L6 PolarHBondContact O-N 3.12Å; P4-L6 PolarHBondContact O-N 3.18Å; L6-R10 WeakPolarHBondContact O-CB 3.01Å; L6-R10 PolarHBondContact O-N 2.85Å |
| 7 | L | 86.6 | Confident | 77.6 | Confident | 12 Ų | 12 | 69.9 Ų | 69.9 | 6% | 0.063 | 37% | 0.368 | C | S | . | . | H | α-helix | trans | -66.7 | -50 | 175.2 | 179.2 | 62.7 | 0 | 0 | 0 | 110.9 | H3 P4 H5 E9 R10 I11 W215 F265 F266 | H3-L7 PolarHBondContact O-N 3.27Å; P4-L7 PolarHBondContact O-N 2.66Å; H5-L7 VanDerWaalsContact C-N 3.31Å; H5-L7 PolarHBondContact O-N 3.16Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.11Å; L7-R10 PolarHBondContact O-N 3.07Å; L7-R10 VanDerWaalsContact O-N 3.13Å; L7-I11 HydrophobicContact CD1-CD1 4.42Å; L7-I11 HydrophobicContact CD1-CG1 4.13Å; L7-I11 HydrophobicContact CG-CG1 4.48Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3Å; L7-W215 HydrophobicContact CD1-CH2 3.82Å; L7-W215 HydrophobicContact CD1-CZ2 3.33Å; L7-F265 HydrophobicContact CD2-CD1 4.17Å; L7-F265 HydrophobicContact CD2-CE1 3.49Å; L7-F265 VanDerWaalsContact CD2-CE1 3.49Å; L7-F265 HydrophobicContact CD2-CE2 4.4Å; L7-F265 HydrophobicContact CD2-CZ 3.62Å; L7-F266 HydrophobicContact CD1-CD1 4.48Å; L7-F266 HydrophobicContact CD2-CD1 4.15Å; L7-F266 HydrophobicContact CD2-CE1 4.45Å; L7-F266 HydrophobicContact CG-CD1 4.3Å |
| 8 | A | 86.1 | Confident | 78.3 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 20% | 0.198 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -58.4 | -42.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112 | P4 H5 I11 S12 F266 | P4-A8 PolarHBondContact O-N 2.86Å; P4-A8 VanDerWaalsContact O-N 3.11Å; H5-A8 PolarHBondContact O-N 3.38Å; A8-I11 PolarHBondContact O-N 3.29Å; A8-S12 WeakPolarHBondContact O-CB 3.49Å; A8-S12 PolarHBondContact O-N 3.21Å; A8-F266 WeakPolarHBondContact CA-O 3.4Å; A8-F266 VanDerWaalsContact CB-O 3.27Å; A8-F266 WeakPolarHBondContact CB-O 3.29Å |
| 9 | E | 85 | Confident | 78.8 | Confident | 65 Ų | 65 | 64.2 Ų | 64.2 | 30% | 0.304 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -63.5 | -44 | 175.1 | -171.1 | -179.5 | -177.3 | 0 | 0 | 112.2 | H5 L7 S12 R13 | H5-E9 WeakPolarHBondContact O-CB 3.46Å; H5-E9 PolarHBondContact O-N 3.43Å; L7-E9 VanDerWaalsContact C-N 3.29Å; L7-E9 PolarHBondContact O-N 3.11Å; E9-S12 PolarHBondContact O-N 2.96Å; E9-R13 WeakPolarHBondContact O-CG 3.49Å; E9-R13 PolarHBondContact O-N 2.94Å; E9-R13 IonicContact OE1-CZ 3.02Å; E9-R13 VanDerWaalsContact OE1-CZ 3.25Å; E9-R13 IonicContact OE1-NE 3.16Å; E9-R13 PolarHBondContact OE1-NE 3.44Å; E9-R13 IonicContact OE1-NH2 3.67Å; E9-R13 PolarHBondContact OE1-NH2 2.88Å |
| 10 | R | 90.6 | Very high | 79.1 | Confident | 44 Ų | 44 | 67.7 Ų | 67.7 | 17% | 0.166 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -60.2 | -46.8 | 176.9 | 179.3 | 179.6 | 170.1 | -163.4 | 1.5 | 111.7 | L6 L7 S12 R13 L14 L205 Q206 E211 | L6-R10 WeakPolarHBondContact O-CB 3.01Å; L6-R10 PolarHBondContact O-N 2.85Å; L7-R10 PolarHBondContact O-N 3.07Å; L7-R10 VanDerWaalsContact O-N 3.13Å; R10-S12 VanDerWaalsContact C-N 3.34Å; R10-R13 PolarHBondContact O-N 3.5Å; R10-L14 WeakPolarHBondContact O-CB 3.42Å; R10-L14 PolarHBondContact O-N 3.21Å; R10-L205 HydrophobicContact CG-CD2 4Å; R10-L205 PolarHBondContact NE-O 2.79Å; R10-Q206 PolarHBondContact NH2-O 3.44Å; R10-E211 IonicContact CZ-OE1 2.88Å; R10-E211 IonicContact CZ-OE2 3.47Å; R10-E211 VanDerWaalsContact NH1-CD 3.26Å; R10-E211 IonicContact NH1-OE1 3.17Å; R10-E211 PolarHBondContact NH1-OE1 3.33Å; R10-E211 IonicContact NH1-OE2 3.42Å; R10-E211 PolarHBondContact NH1-OE2 2.89Å; R10-E211 IonicContact NH2-OE1 3.63Å; R10-E211 IonicContact NH2-OE2 2.63Å; R10-E211 PolarHBondContact NH2-OE2 3.37Å |
| 11 | I | 90.8 | Very high | 79.2 | Confident | 19 Ų | 19 | 65.7 Ų | 65.7 | 10% | 0.097 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -65.9 | -38.8 | 179.6 | -62.4 | -53.6 | 0 | 0 | 0 | 111.1 | L7 A8 L14 S15 L33 L37 W215 F266 | L7-I11 HydrophobicContact CD1-CD1 4.42Å; L7-I11 HydrophobicContact CD1-CG1 4.13Å; L7-I11 HydrophobicContact CG-CG1 4.48Å; L7-I11 WeakPolarHBondContact O-CG1 3.41Å; L7-I11 PolarHBondContact O-N 3Å; A8-I11 PolarHBondContact O-N 3.29Å; I11-L14 HydrophobicContact CD1-CD2 4.36Å; I11-L14 PolarHBondContact O-N 2.82Å; I11-S15 WeakPolarHBondContact O-CB 3.31Å; I11-S15 PolarHBondContact O-N 3.48Å; I11-L33 HydrophobicContact CG2-CD2 4.41Å; I11-L37 HydrophobicContact CD1-CD1 3.93Å; I11-L37 HydrophobicContact CG2-CD1 4.2Å; I11-W215 HydrophobicContact CD1-CH2 4.31Å; I11-W215 HydrophobicContact CD1-CZ3 4.35Å; I11-F266 HydrophobicContact CD1-CD1 4.23Å; I11-F266 HydrophobicContact CD1-CE1 4.38Å; I11-F266 HydrophobicContact CG1-CB 4.49Å; I11-F266 HydrophobicContact CG1-CD1 3.7Å; I11-F266 HydrophobicContact CG1-CE1 4.33Å; I11-F266 HydrophobicContact CG1-CG 4.35Å |
| 12 | S | 86.7 | Confident | 81.5 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 33% | 0.329 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.7 | -46.3 | 173.9 | -172.7 | 0 | 0 | 0 | 0 | 111.7 | A8 E9 R10 L14 S15 S16 | A8-S12 WeakPolarHBondContact O-CB 3.49Å; A8-S12 PolarHBondContact O-N 3.21Å; E9-S12 PolarHBondContact O-N 2.96Å; R10-S12 VanDerWaalsContact C-N 3.34Å; S12-L14 VanDerWaalsContact C-N 3.35Å; S12-S15 PolarHBondContact O-N 3.15Å; S12-S16 PolarHBondContact O-N 2.9Å; S12-S16 PolarHBondContact O-OG 3.38Å; S12-S16 VanDerWaalsContact O-OG 3.1Å |
| 13 | R | 89.9 | Confident | 83.3 | Confident | 140 Ų | 140 | 56 Ų | 56 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64.2 | -40.3 | 176.9 | -70.4 | 177.3 | -177.4 | -158.9 | 1.7 | 111.7 | E9 R10 S16 S17 L205 | E9-R13 WeakPolarHBondContact O-CG 3.49Å; E9-R13 PolarHBondContact O-N 2.94Å; E9-R13 IonicContact OE1-CZ 3.02Å; E9-R13 VanDerWaalsContact OE1-CZ 3.25Å; E9-R13 IonicContact OE1-NE 3.16Å; E9-R13 PolarHBondContact OE1-NE 3.44Å; E9-R13 IonicContact OE1-NH2 3.67Å; E9-R13 PolarHBondContact OE1-NH2 2.88Å; R10-R13 PolarHBondContact O-N 3.5Å; R13-S16 PolarHBondContact O-N 2.85Å; R13-S17 PolarHBondContact O-N 3.49Å; R13-L205 HydrophobicContact CB-CD1 3.92Å; R13-L205 HydrophobicContact CB-CD2 4.12Å |
| 14 | L | 92 | Very high | 84.7 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -60.3 | -47.4 | 175.5 | 178.1 | 59.7 | 0 | 0 | 0 | 111.1 | R10 I11 S12 S17 L18 L33 A62 V201 L205 V207 | R10-L14 WeakPolarHBondContact O-CB 3.42Å; R10-L14 PolarHBondContact O-N 3.21Å; I11-L14 HydrophobicContact CD1-CD2 4.36Å; I11-L14 PolarHBondContact O-N 2.82Å; S12-L14 VanDerWaalsContact C-N 3.35Å; L14-S17 WeakPolarHBondContact O-CB 3.37Å; L14-S17 PolarHBondContact O-N 3.41Å; L14-L18 HydrophobicContact CD1-CD1 4.18Å; L14-L18 HydrophobicContact CD1-CG 4.4Å; L14-L18 HydrophobicContact CG-CD1 4.08Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 3.04Å; L14-L33 HydrophobicContact CD2-CD1 4.15Å; L14-L33 HydrophobicContact CD2-CD2 4.48Å; L14-L33 HydrophobicContact CG-CD2 4.36Å; L14-A62 HydrophobicContact CD1-CB 4.5Å; L14-A62 HydrophobicContact CD2-CB 4.35Å; L14-V201 HydrophobicContact CD1-CB 4.4Å; L14-V201 HydrophobicContact CD1-CG1 3.38Å; L14-V201 HydrophobicContact CD1-CG2 4.05Å; L14-L205 HydrophobicContact CD1-CB 4.26Å; L14-V207 HydrophobicContact CD2-CG2 4.13Å |
| 15 | S | 91.2 | Very high | 85.9 | Confident | 10 Ų | 10 | 50.1 Ų | 50.1 | 7% | 0.07 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.3 | -49.1 | 174.9 | -166.1 | 0 | 0 | 0 | 0 | 111.4 | I11 S12 S17 L18 E19 R30 | I11-S15 WeakPolarHBondContact O-CB 3.31Å; I11-S15 PolarHBondContact O-N 3.48Å; S12-S15 PolarHBondContact O-N 3.15Å; S15-S17 VanDerWaalsContact C-N 3.29Å; S15-S17 PolarHBondContact O-N 3.36Å; S15-L18 PolarHBondContact O-N 2.69Å; S15-L18 VanDerWaalsContact O-N 3.08Å; S15-E19 WeakPolarHBondContact O-CB 3.26Å; S15-E19 WeakPolarHBondContact O-CG 3.42Å; S15-E19 PolarHBondContact O-N 3.02Å; S15-E19 PolarHBondContact OG-OE1 3.45Å; S15-R30 WeakPolarHBondContact OG-CG 3.27Å |
| 16 | S | 88 | Confident | 86.8 | Confident | 64 Ų | 64 | 45 Ų | 45 | 45% | 0.448 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.8 | -36 | 178.3 | -59 | 0 | 0 | 0 | 0 | 113.2 | S12 R13 | S12-S16 PolarHBondContact O-N 2.9Å; S12-S16 PolarHBondContact O-OG 3.38Å; S12-S16 VanDerWaalsContact O-OG 3.1Å; R13-S16 PolarHBondContact O-N 2.85Å |
| 17 | S | 89.5 | Confident | 87.1 | Confident | 23 Ų | 23 | 44.5 Ų | 44.5 | 16% | 0.161 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 172.9 | -89.5 | 0 | 0 | 0 | 0 | 112.2 | R13 L14 S15 E19 K20 P200 | R13-S17 PolarHBondContact O-N 3.49Å; L14-S17 WeakPolarHBondContact O-CB 3.37Å; L14-S17 PolarHBondContact O-N 3.41Å; S15-S17 VanDerWaalsContact C-N 3.29Å; S15-S17 PolarHBondContact O-N 3.36Å; S17-E19 VanDerWaalsContact C-N 3.34Å; S17-K20 WeakPolarHBondContact O-CB 3.32Å; S17-K20 PolarHBondContact O-N 3.45Å; S17-P200 WeakPolarHBondContact O-CB 3.39Å; S17-P200 WeakPolarHBondContact O-CG 3.12Å; S17-P200 PolarHBondContact OG-O 3.19Å |
| 18 | L | 90.8 | Very high | 87.3 | Confident | 0 Ų | 0 | 44.1 Ų | 44.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -70.2 | -29.7 | 178.9 | -69.3 | 167 | 0 | 0 | 0 | 113.1 | L14 S15 K20 L22 I29 L33 R58 L59 A62 V201 | L14-L18 HydrophobicContact CD1-CD1 4.18Å; L14-L18 HydrophobicContact CD1-CG 4.4Å; L14-L18 HydrophobicContact CG-CD1 4.08Å; L14-L18 VanDerWaalsContact O-CG 3.32Å; L14-L18 WeakPolarHBondContact O-CG 3.23Å; L14-L18 PolarHBondContact O-N 3.04Å; S15-L18 PolarHBondContact O-N 2.69Å; S15-L18 VanDerWaalsContact O-N 3.08Å; L18-K20 PolarHBondContact O-N 2.86Å; L18-L22 WeakPolarHBondContact O-CD1 3.1Å; L18-I29 HydrophobicContact CB-CG2 3.74Å; L18-L33 HydrophobicContact CD1-CD1 3.97Å; L18-L33 HydrophobicContact CD1-CD2 4.1Å; L18-L33 HydrophobicContact CD1-CG 4.48Å; L18-R58 HydrophobicContact CD2-CB 4.38Å; L18-R58 WeakPolarHBondContact CD2-O 3.49Å; L18-L59 HydrophobicContact CD1-CD2 4.26Å; L18-A62 HydrophobicContact CD1-CB 4.06Å; L18-V201 HydrophobicContact CD2-CG2 3.55Å; L18-V201 HydrophobicContact CG-CG2 3.94Å |
| 19 | E | 88.2 | Confident | 87.6 | Confident | 30 Ų | 30 | 43 Ų | 43 | 14% | 0.14 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -71.3 | -18.1 | 177.5 | -72.9 | 168.6 | -143.9 | 0 | 0 | 113.1 | S15 S17 G21 L22 S26 I29 R30 | S15-E19 WeakPolarHBondContact O-CB 3.26Å; S15-E19 WeakPolarHBondContact O-CG 3.42Å; S15-E19 PolarHBondContact O-N 3.02Å; S15-E19 PolarHBondContact OG-OE1 3.45Å; S17-E19 VanDerWaalsContact C-N 3.34Å; E19-G21 PolarHBondContact O-N 3.23Å; E19-L22 PolarHBondContact O-N 2.96Å; E19-S26 WeakPolarHBondContact OE2-CB 3.36Å; E19-I29 HydrophobicContact CG-CB 4.26Å; E19-I29 HydrophobicContact CG-CG2 3.94Å; E19-R30 WeakPolarHBondContact OE1-CG 3.5Å; E19-R30 IonicContact OE1-CZ 3.3Å; E19-R30 IonicContact OE1-NE 2.93Å; E19-R30 PolarHBondContact OE1-NE 3.34Å; E19-R30 IonicContact OE1-NH2 3.86Å; E19-R30 PolarHBondContact OE1-NH2 3.09Å; E19-R30 IonicContact OE2-CZ 3.47Å; E19-R30 IonicContact OE2-NE 3.99Å; E19-R30 IonicContact OE2-NH2 2.93Å; E19-R30 PolarHBondContact OE2-NH2 2.84Å |
| 20 | K | 84 | Confident | 88 | Confident | 135 Ų | 135 | 46 Ų | 46 | 59% | 0.587 | 23% | 0.227 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -63.9 | 126.4 | -173.7 | -143.1 | 177.2 | -171 | -180 | 0 | 111.1 | S17 L18 L22 | S17-K20 WeakPolarHBondContact O-CB 3.32Å; S17-K20 PolarHBondContact O-N 3.45Å; L18-K20 PolarHBondContact O-N 2.86Å; K20-L22 VanDerWaalsContact C-N 3.27Å; K20-L22 PolarHBondContact O-N 3.38Å |
| 21 | G | 80.7 | Confident | 88.2 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 26% | 0.258 | 22% | 0.221 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.5 | 1 | -177.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | E19 Y23 | E19-G21 PolarHBondContact O-N 3.23Å; G21-Y23 WeakPolarHBondContact O-CE2 3.39Å |
| 22 | L | 82.5 | Confident | 88.5 | Confident | 22 Ų | 22 | 43.4 Ų | 43.4 | 12% | 0.115 | 22% | 0.216 | C | C | . | . | trans | -102.9 | 123.2 | 174.4 | -62.1 | 175.1 | 0 | 0 | 0 | 110.7 | L18 E19 K20 R25 I29 L54 R58 | L18-L22 WeakPolarHBondContact O-CD1 3.1Å; E19-L22 PolarHBondContact O-N 2.96Å; K20-L22 VanDerWaalsContact C-N 3.27Å; K20-L22 PolarHBondContact O-N 3.38Å; L22-R25 HydrophobicContact CB-CB 4.09Å; L22-I29 HydrophobicContact CD1-CD1 3.39Å; L22-I29 HydrophobicContact CD1-CG1 3.42Å; L22-I29 VanDerWaalsContact CD1-CG1 3.42Å; L22-L54 HydrophobicContact CD2-CD2 3.42Å; L22-L54 VanDerWaalsContact CD2-CD2 3.42Å; L22-L54 HydrophobicContact CD2-CG 3.88Å; L22-R58 HydrophobicContact CD1-CG 4.33Å | ||
| 23 | Y | 83.1 | Confident | 88.9 | Confident | 49 Ų | 49 | 41.3 Ų | 41.3 | 19% | 0.192 | 20% | 0.202 | C | C | . | . | S | Bend | trans | -98.3 | 121.8 | -174.7 | -58.2 | -78.8 | 0 | 0 | 0 | 110.6 | G21 R25 N185 S188 M189 | G21-Y23 WeakPolarHBondContact O-CE2 3.39Å; Y23-R25 WeakPolarHBondContact O-CG 3.48Å; Y23-R25 PolarHBondContact O-N 2.9Å; Y23-N185 HydrophobicContact CD1-CB 4.29Å; Y23-S188 PolarHBondContact OH-O 3.1Å; Y23-M189 HydrophobicContact CD2-CB 3.44Å; Y23-M189 VanDerWaalsContact CD2-CB 3.44Å; Y23-M189 HydrophobicContact CD2-CG 3.77Å; Y23-M189 HydrophobicContact CE2-CB 3.7Å; Y23-M189 HydrophobicContact CE2-CG 4.15Å; Y23-M189 HydrophobicContact CG-CB 3.99Å |
| 24 | E | 83.7 | Confident | 89.3 | Confident | 65 Ų | 65 | 35.7 Ų | 35.7 | 30% | 0.304 | 18% | 0.182 | S | C | . | . | S | Bend | trans | 56.4 | 34.5 | -177 | -60.3 | 174.5 | -157.2 | 0 | 0 | 114.2 | V180 Q181 D182 N185 | E24-V180 HydrophobicContact CG-CG1 4.35Å; E24-V180 WeakPolarHBondContact OE1-CG1 3.11Å; E24-V180 WeakPolarHBondContact OE2-CA 3.49Å; E24-Q181 PolarHBondContact OE1-N 3.32Å; E24-Q181 PolarHBondContact OE2-N 3.1Å; E24-D182 WeakPolarHBondContact OE1-CA 3.37Å; E24-D182 WeakPolarHBondContact OE1-CB 3.33Å; E24-D182 PolarHBondContact OE1-N 3.47Å; E24-N185 HydrophobicContact CG-CB 4.33Å; E24-N185 VanDerWaalsContact CG-ND2 3.34Å; E24-N185 WeakPolarHBondContact CG-ND2 3.46Å; E24-N185 PolarHBondContact OE1-ND2 2.79Å |
| 25 | R | 86.8 | Confident | 89.5 | Confident | 20 Ų | 20 | 35.7 Ų | 35.7 | 8% | 0.075 | 18% | 0.182 | C | C | . | . | trans | -124.3 | 9.4 | 177 | -56.3 | -62.5 | 177 | -107.1 | 2.4 | 113.8 | L22 Y23 H27 A28 I29 D178 | L22-R25 HydrophobicContact CB-CB 4.09Å; Y23-R25 WeakPolarHBondContact O-CG 3.48Å; Y23-R25 PolarHBondContact O-N 2.9Å; R25-H27 VanDerWaalsContact C-N 3.31Å; R25-H27 PolarHBondContact O-N 3Å; R25-A28 PolarHBondContact O-N 2.88Å; R25-A28 VanDerWaalsContact O-N 3.14Å; R25-I29 PolarHBondContact O-N 3.02Å; R25-D178 VanDerWaalsContact CZ-O 3.29Å; R25-D178 PolarHBondContact NH1-O 3.44Å; R25-D178 PolarHBondContact NH2-O 3.35Å | ||
| 26 | S | 84.9 | Confident | 89.7 | Confident | 53 Ų | 53 | 35.2 Ų | 35.2 | 37% | 0.371 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -57.7 | -44 | -178 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | E19 A28 I29 R30 | E19-S26 WeakPolarHBondContact OE2-CB 3.36Å; S26-A28 PolarHBondContact O-N 2.99Å; S26-I29 PolarHBondContact O-N 2.8Å; S26-R30 WeakPolarHBondContact O-CB 3.32Å; S26-R30 VanDerWaalsContact O-CG 3.26Å; S26-R30 WeakPolarHBondContact O-CG 3.34Å; S26-R30 PolarHBondContact O-N 3.03Å |
| 27 | H | 87.7 | Confident | 90.1 | Very high | 88 Ų | 88 | 32.2 Ų | 32.2 | 41% | 0.407 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -60.9 | -45.4 | 176 | -173.2 | 49.4 | 0 | 0 | 0 | 112.4 | R25 R30 L31 D282 | R25-H27 VanDerWaalsContact C-N 3.31Å; R25-H27 PolarHBondContact O-N 3Å; H27-R30 PolarHBondContact O-N 2.91Å; H27-L31 VanDerWaalsContact CE1-CD1 3.42Å; H27-L31 WeakPolarHBondContact CE1-CD1 3.3Å; H27-L31 WeakPolarHBondContact O-CG 3.42Å; H27-L31 PolarHBondContact O-N 3.29Å; H27-D282 IonicContact NE2-OD2 2.96Å |
| 28 | A | 91.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 31.1 Ų | 31.1 | 3% | 0.033 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -64 | -44.4 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | R25 S26 L31 C32 I55 L175 L177 | R25-A28 PolarHBondContact O-N 2.88Å; R25-A28 VanDerWaalsContact O-N 3.14Å; S26-A28 PolarHBondContact O-N 2.99Å; A28-L31 PolarHBondContact O-N 2.87Å; A28-C32 VanDerWaalsContact O-CB 3.3Å; A28-C32 WeakPolarHBondContact O-CB 3.48Å; A28-C32 PolarHBondContact O-N 3.19Å; A28-C32 PolarHBondContact O-SG 2.92Å; A28-I55 HydrophobicContact CB-CD1 4.13Å; A28-L175 HydrophobicContact CB-CD1 4.04Å; A28-L177 HydrophobicContact CB-CD2 3.81Å |
| 29 | I | 92.2 | Very high | 90.4 | Very high | 0 Ų | 0 | 31.6 Ų | 31.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 177.2 | -72.8 | -77.2 | 0 | 0 | 0 | 111.4 | L18 E19 L22 R25 S26 L31 C32 L33 I55 R58 | L18-I29 HydrophobicContact CB-CG2 3.74Å; E19-I29 HydrophobicContact CG-CB 4.26Å; E19-I29 HydrophobicContact CG-CG2 3.94Å; L22-I29 HydrophobicContact CD1-CD1 3.39Å; L22-I29 HydrophobicContact CD1-CG1 3.42Å; L22-I29 VanDerWaalsContact CD1-CG1 3.42Å; R25-I29 PolarHBondContact O-N 3.02Å; S26-I29 PolarHBondContact O-N 2.8Å; I29-L31 PolarHBondContact O-N 2.88Å; I29-C32 PolarHBondContact O-N 2.99Å; I29-L33 VanDerWaalsContact O-CB 3.23Å; I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 PolarHBondContact O-N 2.83Å; I29-I55 HydrophobicContact CD1-CB 4.29Å; I29-I55 HydrophobicContact CD1-CG1 4.26Å; I29-I55 HydrophobicContact CD1-CG2 3.87Å; I29-R58 HydrophobicContact CD1-CB 4.41Å |
| 30 | R | 93.6 | Very high | 90.7 | Very high | 128 Ų | 128 | 30.6 Ų | 30.6 | 48% | 0.483 | 15% | 0.15 | S | C | . | . | H | α-helix | trans | -59.8 | -46.8 | 178.2 | -75.5 | 170 | -167.8 | -168.7 | 7.8 | 112.1 | S15 E19 S26 H27 L33 L34 | S15-R30 WeakPolarHBondContact OG-CG 3.27Å; E19-R30 WeakPolarHBondContact OE1-CG 3.5Å; E19-R30 IonicContact OE1-CZ 3.3Å; E19-R30 IonicContact OE1-NE 2.93Å; E19-R30 PolarHBondContact OE1-NE 3.34Å; E19-R30 IonicContact OE1-NH2 3.86Å; E19-R30 PolarHBondContact OE1-NH2 3.09Å; E19-R30 IonicContact OE2-CZ 3.47Å; E19-R30 IonicContact OE2-NE 3.99Å; E19-R30 IonicContact OE2-NH2 2.93Å; E19-R30 PolarHBondContact OE2-NH2 2.84Å; S26-R30 WeakPolarHBondContact O-CB 3.32Å; S26-R30 VanDerWaalsContact O-CG 3.26Å; S26-R30 WeakPolarHBondContact O-CG 3.34Å; S26-R30 PolarHBondContact O-N 3.03Å; H27-R30 PolarHBondContact O-N 2.91Å; R30-L33 PolarHBondContact O-N 3.49Å; R30-L34 WeakPolarHBondContact O-CB 3.17Å; R30-L34 PolarHBondContact O-N 3.02Å |
| 31 | L | 94.9 | Very high | 91.3 | Very high | 8 Ų | 8 | 24.3 Ų | 24.3 | 4% | 0.042 | 12% | 0.123 | C | C | . | . | H | α-helix | trans | -69.6 | -40.6 | 179.4 | -70.9 | -180 | 0 | 0 | 0 | 112.2 | H27 A28 I29 L33 L34 A35 I173 L175 L279 D282 | H27-L31 VanDerWaalsContact CE1-CD1 3.42Å; H27-L31 WeakPolarHBondContact CE1-CD1 3.3Å; H27-L31 WeakPolarHBondContact O-CG 3.42Å; H27-L31 PolarHBondContact O-N 3.29Å; A28-L31 PolarHBondContact O-N 2.87Å; I29-L31 PolarHBondContact O-N 2.88Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L31-L34 PolarHBondContact O-N 2.8Å; L31-A35 WeakPolarHBondContact O-CB 3.48Å; L31-A35 PolarHBondContact O-N 2.81Å; L31-I173 HydrophobicContact CB-CD1 4.34Å; L31-I173 HydrophobicContact CB-CG2 4.29Å; L31-I173 HydrophobicContact CD1-CG2 4.47Å; L31-I173 WeakPolarHBondContact O-CD1 3.14Å; L31-L175 HydrophobicContact CB-CD1 4.28Å; L31-L175 HydrophobicContact CD1-CD1 4.5Å; L31-L175 HydrophobicContact CD1-CD2 3.42Å; L31-L175 VanDerWaalsContact CD1-CD2 3.42Å; L31-L279 HydrophobicContact CD2-CD2 3.43Å; L31-L279 VanDerWaalsContact CD2-CD2 3.43Å; L31-D282 HydrophobicContact CD1-CB 4.21Å; L31-D282 WeakPolarHBondContact CD1-OD2 3.25Å |
| 32 | C | 95.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -67.3 | -34.8 | 175.1 | -65.3 | 0 | 0 | 0 | 0 | 112.3 | A28 I29 A35 A36 V42 I55 L59 | A28-C32 VanDerWaalsContact O-CB 3.3Å; A28-C32 WeakPolarHBondContact O-CB 3.48Å; A28-C32 PolarHBondContact O-N 3.19Å; A28-C32 PolarHBondContact O-SG 2.92Å; I29-C32 PolarHBondContact O-N 2.99Å; C32-A35 PolarHBondContact O-N 3.12Å; C32-A36 WeakPolarHBondContact O-CB 3.36Å; C32-A36 PolarHBondContact O-N 3.15Å; C32-V42 HydrophobicContact CB-CG2 4.48Å; C32-I55 HydrophobicContact CB-CG2 4.32Å; C32-L59 HydrophobicContact CB-CD1 3.27Å; C32-L59 HydrophobicContact CB-CD2 4.49Å; C32-L59 HydrophobicContact CB-CG 4.47Å |
| 33 | L | 96.3 | Very high | 92.7 | Very high | 4 Ų | 4 | 22 Ų | 22 | 2% | 0.021 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -64.1 | -46.3 | 171.7 | 178.1 | 62.6 | 0 | 0 | 0 | 110.4 | I11 L14 L18 I29 R30 L31 A35 A36 L37 L59 A62 | I11-L33 HydrophobicContact CG2-CD2 4.41Å; L14-L33 HydrophobicContact CD2-CD1 4.15Å; L14-L33 HydrophobicContact CD2-CD2 4.48Å; L14-L33 HydrophobicContact CG-CD2 4.36Å; L18-L33 HydrophobicContact CD1-CD1 3.97Å; L18-L33 HydrophobicContact CD1-CD2 4.1Å; L18-L33 HydrophobicContact CD1-CG 4.48Å; I29-L33 VanDerWaalsContact O-CB 3.23Å; I29-L33 WeakPolarHBondContact O-CB 3.41Å; I29-L33 PolarHBondContact O-N 2.83Å; R30-L33 PolarHBondContact O-N 3.49Å; L31-L33 VanDerWaalsContact C-N 3.34Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.26Å; L33-A36 PolarHBondContact O-N 2.88Å; L33-L37 HydrophobicContact CD1-CD1 4.05Å; L33-L37 HydrophobicContact CD1-CG 4.09Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 HydrophobicContact CG-CG 4.37Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 VanDerWaalsContact O-CG 3.25Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.26Å; L33-L59 HydrophobicContact CB-CD2 3.94Å; L33-L59 HydrophobicContact CD1-CD2 4.26Å; L33-A62 HydrophobicContact CD1-CB 3.94Å |
| 34 | L | 96.5 | Very high | 93.3 | Very high | 21 Ų | 21 | 19.7 Ų | 19.7 | 11% | 0.11 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 175.7 | -176 | 64 | 0 | 0 | 0 | 111.8 | R30 L31 L37 S38 L259 A262 F266 L279 | R30-L34 WeakPolarHBondContact O-CB 3.17Å; R30-L34 PolarHBondContact O-N 3.02Å; L31-L34 PolarHBondContact O-N 2.8Å; L34-L37 PolarHBondContact O-N 2.99Å; L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 3.34Å; L34-S38 PolarHBondContact O-OG 3.37Å; L34-L259 HydrophobicContact CD2-CD1 4Å; L34-L259 HydrophobicContact CD2-CG 4.12Å; L34-L259 HydrophobicContact CG-CD1 3.82Å; L34-L259 HydrophobicContact CG-CG 4.46Å; L34-A262 HydrophobicContact CD1-CB 4.04Å; L34-F266 HydrophobicContact CD1-CD2 3.94Å; L34-L279 HydrophobicContact CD2-CD1 3.74Å; L34-L279 HydrophobicContact CD2-CD2 4.33Å |
| 35 | A | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -61.4 | -45.7 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | L31 C32 L33 L37 S38 G39 E40 V42 L149 I173 | L31-A35 WeakPolarHBondContact O-CB 3.48Å; L31-A35 PolarHBondContact O-N 2.81Å; C32-A35 PolarHBondContact O-N 3.12Å; L33-A35 VanDerWaalsContact C-N 3.33Å; L33-A35 PolarHBondContact O-N 3.26Å; A35-L37 VanDerWaalsContact C-N 3.33Å; A35-L37 PolarHBondContact O-N 2.95Å; A35-S38 WeakPolarHBondContact CA-OG 3.41Å; A35-S38 CarbonylContact O-C 3.54Å; A35-S38 PolarHBondContact O-N 2.98Å; A35-S38 PolarHBondContact O-OG 2.96Å; A35-S38 VanDerWaalsContact O-OG 3.09Å; A35-G39 PolarHBondContact O-N 3.29Å; A35-E40 PolarHBondContact O-N 3.42Å; A35-V42 HydrophobicContact CB-CG2 3.41Å; A35-V42 VanDerWaalsContact CB-CG2 3.41Å; A35-L149 HydrophobicContact CB-CD1 3.83Å; A35-I173 HydrophobicContact CB-CD1 3.81Å |
| 36 | A | 96.2 | Very high | 94.1 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.086 | C | C | . | . | H | α-helix | trans | -63.4 | -40.8 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | C32 L33 S38 F63 L149 Y212 | C32-A36 WeakPolarHBondContact O-CB 3.36Å; C32-A36 PolarHBondContact O-N 3.15Å; L33-A36 PolarHBondContact O-N 2.88Å; A36-S38 VanDerWaalsContact C-N 3.31Å; A36-F63 HydrophobicContact CB-CE2 3.82Å; A36-F63 HydrophobicContact CB-CZ 3.9Å; A36-L149 HydrophobicContact CB-CB 3.84Å; A36-L149 HydrophobicContact CB-CD1 4.23Å; A36-L149 HydrophobicContact CB-CD2 4.11Å; A36-L149 HydrophobicContact CB-CG 4.28Å; A36-Y212 WeakPolarHBondContact O-CE2 3.19Å |
| 37 | L | 95.9 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.3 Ų | 16.3 | 1% | 0.005 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -72.4 | -23 | 177.3 | -68.4 | 173.8 | 0 | 0 | 0 | 113 | I11 L33 L34 A35 F63 V207 W215 Q216 F266 | I11-L37 HydrophobicContact CD1-CD1 3.93Å; I11-L37 HydrophobicContact CG2-CD1 4.2Å; L33-L37 HydrophobicContact CD1-CD1 4.05Å; L33-L37 HydrophobicContact CD1-CG 4.09Å; L33-L37 HydrophobicContact CG-CD1 3.93Å; L33-L37 HydrophobicContact CG-CG 4.37Å; L33-L37 WeakPolarHBondContact O-CB 3.36Å; L33-L37 VanDerWaalsContact O-CG 3.25Å; L33-L37 WeakPolarHBondContact O-CG 3.37Å; L33-L37 PolarHBondContact O-N 3.26Å; L34-L37 PolarHBondContact O-N 2.99Å; A35-L37 VanDerWaalsContact C-N 3.33Å; A35-L37 PolarHBondContact O-N 2.95Å; L37-F63 HydrophobicContact CD2-CE1 4.17Å; L37-F63 HydrophobicContact CD2-CZ 4.23Å; L37-V207 HydrophobicContact CD2-CG2 4.12Å; L37-W215 HydrophobicContact CD2-CE3 4.3Å; L37-W215 HydrophobicContact CD2-CZ3 3.96Å; L37-Q216 PolarHBondContact O-NE2 3.26Å; L37-F266 HydrophobicContact CB-CD2 4.44Å; L37-F266 HydrophobicContact CB-CE2 3.52Å; L37-F266 HydrophobicContact CB-CZ 3.62Å; L37-F266 HydrophobicContact CD1-CD1 4.47Å; L37-F266 HydrophobicContact CD1-CD2 4.24Å; L37-F266 HydrophobicContact CD1-CE1 4.19Å; L37-F266 HydrophobicContact CD1-CE2 3.98Å; L37-F266 HydrophobicContact CD1-CZ 3.95Å; L37-F266 HydrophobicContact CD2-CZ 4.37Å; L37-F266 HydrophobicContact CG-CE2 4.34Å; L37-F266 HydrophobicContact CG-CZ 4.2Å |
| 38 | S | 94.3 | Very high | 94.3 | Very high | 1 Ų | 1 | 16.7 Ų | 16.7 | 1% | 0.007 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -97.3 | -6.4 | 177.7 | 56.5 | 0 | 0 | 0 | 0 | 114 | L34 A35 A36 Q216 L259 | L34-S38 WeakPolarHBondContact O-CB 3.43Å; L34-S38 PolarHBondContact O-N 3.34Å; L34-S38 PolarHBondContact O-OG 3.37Å; A35-S38 WeakPolarHBondContact CA-OG 3.41Å; A35-S38 CarbonylContact O-C 3.54Å; A35-S38 PolarHBondContact O-N 2.98Å; A35-S38 PolarHBondContact O-OG 2.96Å; A35-S38 VanDerWaalsContact O-OG 3.09Å; A36-S38 VanDerWaalsContact C-N 3.31Å; S38-Q216 PolarHBondContact O-OE1 2.83Å; S38-L259 WeakPolarHBondContact OG-CD1 3.47Å |
| 39 | G | 93.6 | Very high | 93.9 | Very high | 10 Ų | 10 | 20.6 Ų | 20.6 | 10% | 0.103 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.4 | 31.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | A35 R134 R148 Y212 | A35-G39 PolarHBondContact O-N 3.29Å; G39-R134 PolarHBondContact O-NH2 3.1Å; G39-R148 WeakPolarHBondContact CA-O 3.39Å; G39-Y212 WeakPolarHBondContact CA-OH 3.3Å |
| 40 | E | 94.9 | Very high | 93.5 | Very high | 9 Ų | 9 | 21.2 Ų | 21.2 | 4% | 0.042 | 14% | 0.135 | C | C | . | . | trans | -109.6 | 166.3 | -178.9 | -59.2 | -59 | 165.2 | 0 | 0 | 112.1 | A35 L172 K255 | A35-E40 PolarHBondContact O-N 3.42Å; E40-L172 HydrophobicContact CB-CB 4.43Å; E40-L172 HydrophobicContact CB-CD2 4.01Å; E40-L172 HydrophobicContact CG-CD2 3.78Å; E40-K255 WeakPolarHBondContact OE1-CD 3.48Å; E40-K255 IonicContact OE1-NZ 3.05Å; E40-K255 PolarHBondContact OE1-NZ 3.06Å; E40-K255 WeakPolarHBondContact OE2-CD 3.42Å; E40-K255 IonicContact OE2-NZ 3.51Å; E40-K255 PolarHBondContact OE2-NZ 3Å | ||
| 41 | S | 95.4 | Very high | 93.1 | Very high | 2 Ų | 2 | 17.2 Ų | 17.2 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 149.7 | -176.2 | -51 | 0 | 0 | 0 | 0 | 111.6 | L150 L172 I173 | S41-L150 CarbonylContact C-O 3.6Å; S41-L150 WeakPolarHBondContact CA-O 3.33Å; S41-L172 PolarHBondContact O-N 2.95Å; S41-I173 PolarHBondContact O-N 3.02Å |
| 42 | V | 96.9 | Very high | 92.8 | Very high | 0 Ų | 0 | 17.3 Ų | 17.3 | 0% | 0 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 139.5 | -177.7 | -176 | 0 | 0 | 0 | 0 | 110.2 | C32 A35 L44 L149 L150 V151 A152 I173 L175 | C32-V42 HydrophobicContact CB-CG2 4.48Å; A35-V42 HydrophobicContact CB-CG2 3.41Å; A35-V42 VanDerWaalsContact CB-CG2 3.41Å; V42-L44 HydrophobicContact CG1-CD2 3.78Å; V42-L44 HydrophobicContact CG1-CG 4.36Å; V42-L149 HydrophobicContact CG2-CD1 3.81Å; V42-L150 PolarHBondContact N-O 3.38Å; V42-V151 WeakPolarHBondContact O-CA 3.34Å; V42-A152 PolarHBondContact O-N 2.89Å; V42-I173 CarbonylContact C-O 3.53Å; V42-I173 VanDerWaalsContact CA-O 3.27Å; V42-I173 WeakPolarHBondContact CA-O 3.35Å; V42-I173 HydrophobicContact CG1-CB 4.39Å; V42-I173 HydrophobicContact CG1-CG2 4.33Å; V42-I173 HydrophobicContact CG2-CB 4.18Å; V42-L175 HydrophobicContact CG1-CD1 4.22Å; V42-L175 HydrophobicContact CG1-CG 4.42Å |
| 43 | F | 96.5 | Very high | 92.5 | Very high | 0 Ų | 0 | 18.8 Ų | 18.8 | 0% | 0 | 14% | 0.139 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 128 | 167.2 | 176.5 | -114.1 | 0 | 0 | 0 | 110.8 | L45 W117 A152 L157 Y168 M171 I173 R174 L175 | F43-L45 HydrophobicContact CD1-CB 4.39Å; F43-L45 HydrophobicContact CE1-CB 3.73Å; F43-L45 HydrophobicContact CE1-CD1 4.33Å; F43-L45 HydrophobicContact CE1-CG 4.45Å; F43-L45 HydrophobicContact CZ-CB 4.2Å; F43-L45 HydrophobicContact CZ-CD1 4.19Å; F43-W117 HydrophobicContact CD2-CZ2 4.14Å; F43-W117 AromaticContact CE2-CE2 3.83Å; F43-W117 AromaticContact CE2-CZ2 3.84Å; F43-W117 HydrophobicContact CE2-CZ2 3.84Å; F43-W117 AromaticContact CE2-NE1 3.35Å; F43-W117 VanDerWaalsContact CE2-NE1 3.35Å; F43-W117 HydrophobicContact CZ-CZ2 4.25Å; F43-W117 AromaticContact CZ-NE1 3.37Å; F43-A152 CarbonylContact C-O 3.55Å; F43-A152 VanDerWaalsContact CA-O 3.28Å; F43-A152 WeakPolarHBondContact CA-O 3.3Å; F43-A152 HydrophobicContact CD2-CB 4.19Å; F43-A152 WeakPolarHBondContact CD2-O 3.42Å; F43-L157 HydrophobicContact CE1-CD2 4.05Å; F43-Y168 AromaticContact CD1-CE2 3.64Å; F43-Y168 HydrophobicContact CD1-CE2 3.64Å; F43-Y168 AromaticContact CE1-CE2 3.87Å; F43-Y168 HydrophobicContact CE1-CE2 3.87Å; F43-Y168 HydrophobicContact CG-CE2 4.14Å; F43-M171 HydrophobicContact CB-CB 3.68Å; F43-M171 HydrophobicContact CB-CG 4.06Å; F43-I173 PolarHBondContact N-O 2.71Å; F43-R174 HydrophobicContact CB-CG 4.24Å; F43-R174 HydrophobicContact CD1-CG 4.48Å; F43-R174 WeakPolarHBondContact O-CA 3.3Å; F43-L175 PolarHBondContact O-N 2.76Å |
| 44 | L | 96.1 | Very high | 92.2 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 14% | 0.141 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.6 | 107.4 | 176.4 | -58.1 | -175.7 | 0 | 0 | 0 | 110 | V42 K52 I55 V151 A152 A153 S154 L175 L177 | V42-L44 HydrophobicContact CG1-CD2 3.78Å; V42-L44 HydrophobicContact CG1-CG 4.36Å; L44-K52 HydrophobicContact CB-CD 4.16Å; L44-K52 HydrophobicContact CB-CG 4.47Å; L44-K52 HydrophobicContact CD1-CB 4.21Å; L44-I55 HydrophobicContact CD1-CD1 4.27Å; L44-V151 HydrophobicContact CD1-CG1 3.49Å; L44-V151 VanDerWaalsContact CD1-CG1 3.49Å; L44-V151 HydrophobicContact CG-CG1 3.75Å; L44-A152 PolarHBondContact N-O 3.18Å; L44-A153 HydrophobicContact CB-CB 4.43Å; L44-A153 WeakPolarHBondContact O-CA 3.12Å; L44-S154 PolarHBondContact O-N 3.35Å; L44-S154 VanDerWaalsContact O-N 3.14Å; L44-L175 HydrophobicContact CD2-CB 3.84Å; L44-L175 HydrophobicContact CD2-CD1 3.79Å; L44-L175 HydrophobicContact CD2-CG 4.21Å; L44-L177 HydrophobicContact CB-CD1 4.33Å; L44-L177 HydrophobicContact CD1-CD1 4.19Å; L44-L177 HydrophobicContact CD2-CD1 4.07Å; L44-L177 HydrophobicContact CG-CD1 4.43Å |
| 45 | L | 94.6 | Very high | 91.9 | Very high | 20 Ų | 20 | 18 Ų | 18 | 11% | 0.105 | 14% | 0.135 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.9 | 135.7 | 172.4 | -176.5 | 62.4 | 0 | 0 | 0 | 109.6 | F43 L157 L175 W176 L177 W285 | F43-L45 HydrophobicContact CD1-CB 4.39Å; F43-L45 HydrophobicContact CE1-CB 3.73Å; F43-L45 HydrophobicContact CE1-CD1 4.33Å; F43-L45 HydrophobicContact CE1-CG 4.45Å; F43-L45 HydrophobicContact CZ-CB 4.2Å; F43-L45 HydrophobicContact CZ-CD1 4.19Å; L45-L157 HydrophobicContact CD2-CD2 4.01Å; L45-L157 HydrophobicContact CD2-CG 4.2Å; L45-L175 PolarHBondContact N-O 3.33Å; L45-W176 CarbonylContact O-C 3.58Å; L45-W176 WeakPolarHBondContact O-CA 3.38Å; L45-L177 PolarHBondContact O-N 2.87Å; L45-W285 HydrophobicContact CD2-CH2 4.12Å |
| 46 | G | 92 | Very high | 91.6 | Very high | 6 Ų | 6 | 18.1 Ų | 18.1 | 6% | 0.062 | 14% | 0.137 | C | C | . | . | trans | 161.9 | 166.9 | 175 | 0 | 0 | 0 | 0 | 0 | 112 | K52 S154 N155 L177 | G46-K52 PolarHBondContact O-NZ 3.29Å; G46-S154 PolarHBondContact N-O 3.21Å; G46-N155 PolarHBondContact O-OD1 2.74Å; G46-L177 WeakPolarHBondContact CA-O 3.33Å | ||
| 47 | P | 89.8 | Confident | 91.3 | Very high | 40 Ų | 40 | 22 Ų | 22 | 26% | 0.26 | 15% | 0.151 | S | C | . | . | trans | -62.4 | 162.9 | -177.7 | 24.3 | -32.5 | 0 | 0 | 0 | 113.4 | I50 L177 | P47-I50 HydrophobicContact CG-CD1 4.44Å; P47-I50 HydrophobicContact CG-CG2 3.87Å; P47-I50 WeakPolarHBondContact O-CD1 3.43Å; P47-I50 VanDerWaalsContact O-CG1 3.31Å; P47-I50 WeakPolarHBondContact O-CG1 3.33Å; P47-L177 WeakPolarHBondContact CD-O 3.24Å | ||
| 48 | P | 86.9 | Confident | 91 | Very high | 97 Ų | 97 | 22.5 Ų | 22.5 | 63% | 0.63 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -66.9 | 152.2 | 174.7 | 28.4 | -34.6 | 0 | 0 | 0 | 111.5 | ||
| 49 | G | 83.7 | Confident | 91 | Very high | 86 Ų | 86 | 22.4 Ų | 22.4 | 89% | 0.887 | 15% | 0.153 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 83.4 | 10.4 | 175.5 | 0 | 0 | 0 | 0 | 0 | 116 | ||
| 50 | I | 84 | Confident | 90.9 | Very high | 12 Ų | 12 | 25.7 Ų | 25.7 | 6% | 0.062 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -95.5 | 19.9 | -178.8 | 68.6 | -179 | 0 | 0 | 0 | 114.8 | P47 K52 L177 K179 | P47-I50 HydrophobicContact CG-CD1 4.44Å; P47-I50 HydrophobicContact CG-CG2 3.87Å; P47-I50 WeakPolarHBondContact O-CD1 3.43Å; P47-I50 VanDerWaalsContact O-CG1 3.31Å; P47-I50 WeakPolarHBondContact O-CG1 3.33Å; I50-K52 HydrophobicContact CD1-CD 4.14Å; I50-K52 HydrophobicContact CD1-CG 4.03Å; I50-K52 HydrophobicContact CG1-CD 4.17Å; I50-K52 HydrophobicContact CG1-CG 3.66Å; I50-L177 HydrophobicContact CD1-CB 3.58Å; I50-L177 WeakPolarHBondContact CD1-O 3.27Å; I50-K179 HydrophobicContact CG2-CG 4.29Å |
| 51 | A | 83.8 | Confident | 90.9 | Very high | 44 Ų | 44 | 27.2 Ų | 27.2 | 36% | 0.364 | 17% | 0.171 | S | C | . | . | trans | 62.7 | 35.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | S53 L54 I55 | A51-S53 PolarHBondContact O-N 2.87Å; A51-L54 HydrophobicContact CB-CB 3.97Å; A51-L54 HydrophobicContact CB-CD2 4.2Å; A51-L54 WeakPolarHBondContact O-CB 3.07Å; A51-L54 PolarHBondContact O-N 2.8Å; A51-I55 PolarHBondContact O-N 3.18Å | ||
| 52 | K | 89.5 | Confident | 90.8 | Very high | 11 Ų | 11 | 27.1 Ų | 27.1 | 5% | 0.048 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -57.6 | -44.3 | 175.2 | -63.8 | -174.8 | -73.1 | -162.9 | 0 | 112.4 | L44 G46 I50 L54 I55 F112 A153 S154 N155 L177 | L44-K52 HydrophobicContact CB-CD 4.16Å; L44-K52 HydrophobicContact CB-CG 4.47Å; L44-K52 HydrophobicContact CD1-CB 4.21Å; G46-K52 PolarHBondContact O-NZ 3.29Å; I50-K52 HydrophobicContact CD1-CD 4.14Å; I50-K52 HydrophobicContact CD1-CG 4.03Å; I50-K52 HydrophobicContact CG1-CD 4.17Å; I50-K52 HydrophobicContact CG1-CG 3.66Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 2.88Å; K52-I55 PolarHBondContact O-N 2.8Å; K52-F112 HydrophobicContact CB-CE2 4.37Å; K52-F112 HydrophobicContact CB-CZ 4.35Å; K52-A153 HydrophobicContact CB-CB 4.27Å; K52-A153 HydrophobicContact CD-CB 3.98Å; K52-S154 PolarHBondContact NZ-O 3.33Å; K52-N155 PolarHBondContact NZ-OD1 2.91Å; K52-L177 HydrophobicContact CG-CD1 4.34Å |
| 53 | S | 89.8 | Confident | 90.7 | Very high | 30 Ų | 30 | 27.3 Ų | 27.3 | 21% | 0.21 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66 | -33.2 | 179 | -40.1 | 0 | 0 | 0 | 0 | 112.6 | A51 I55 A56 R57 F112 | A51-S53 PolarHBondContact O-N 2.87Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 2.81Å; S53-A56 PolarHBondContact O-N 2.81Å; S53-R57 PolarHBondContact O-N 2.8Å; S53-F112 WeakPolarHBondContact OG-CE1 3.36Å; S53-F112 VanDerWaalsContact OG-CZ 3.26Å; S53-F112 WeakPolarHBondContact OG-CZ 3.31Å |
| 54 | L | 89 | Confident | 90.5 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 5% | 0.047 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -63.9 | -36.7 | 179.5 | -176.9 | 60.4 | 0 | 0 | 0 | 111.8 | L22 A51 K52 A56 R57 R58 E196 | L22-L54 HydrophobicContact CD2-CD2 3.42Å; L22-L54 VanDerWaalsContact CD2-CD2 3.42Å; L22-L54 HydrophobicContact CD2-CG 3.88Å; A51-L54 HydrophobicContact CB-CB 3.97Å; A51-L54 HydrophobicContact CB-CD2 4.2Å; A51-L54 WeakPolarHBondContact O-CB 3.07Å; A51-L54 PolarHBondContact O-N 2.8Å; K52-L54 VanDerWaalsContact C-N 3.31Å; K52-L54 PolarHBondContact O-N 2.88Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-A56 PolarHBondContact O-N 2.89Å; L54-R57 PolarHBondContact O-N 2.93Å; L54-R58 HydrophobicContact CD1-CG 4.33Å; L54-R58 HydrophobicContact CG-CG 4.4Å; L54-R58 WeakPolarHBondContact O-CB 3.49Å; L54-R58 VanDerWaalsContact O-CG 3.28Å; L54-R58 WeakPolarHBondContact O-CG 3.02Å; L54-R58 PolarHBondContact O-N 3.35Å; L54-E196 HydrophobicContact CD1-CB 3.86Å; L54-E196 HydrophobicContact CD2-CB 4.23Å; L54-E196 HydrophobicContact CD2-CG 4.3Å |
| 55 | I | 90.6 | Very high | 90.1 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -58.3 | -47.2 | 175.4 | -66.9 | 169.1 | 0 | 0 | 0 | 110.5 | A28 I29 C32 L44 A51 K52 S53 R58 L59 L177 | A28-I55 HydrophobicContact CB-CD1 4.13Å; I29-I55 HydrophobicContact CD1-CB 4.29Å; I29-I55 HydrophobicContact CD1-CG1 4.26Å; I29-I55 HydrophobicContact CD1-CG2 3.87Å; C32-I55 HydrophobicContact CB-CG2 4.32Å; L44-I55 HydrophobicContact CD1-CD1 4.27Å; A51-I55 PolarHBondContact O-N 3.18Å; K52-I55 PolarHBondContact O-N 2.8Å; S53-I55 VanDerWaalsContact C-N 3.31Å; S53-I55 PolarHBondContact O-N 2.81Å; I55-R58 PolarHBondContact O-N 2.98Å; I55-L59 HydrophobicContact CG2-CD1 4.09Å; I55-L59 WeakPolarHBondContact O-CD1 3.49Å; I55-L59 WeakPolarHBondContact O-CG 3.12Å; I55-L59 PolarHBondContact O-N 3.31Å; I55-L177 HydrophobicContact CD1-CD1 3.89Å |
| 56 | A | 89.6 | Confident | 89.9 | Confident | 3 Ų | 3 | 37.7 Ų | 37.7 | 3% | 0.025 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.3 | -42.1 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S53 L54 R58 L59 K60 F112 V151 | S53-A56 PolarHBondContact O-N 2.81Å; L54-A56 VanDerWaalsContact C-N 3.34Å; L54-A56 PolarHBondContact O-N 2.89Å; A56-R58 PolarHBondContact O-N 3.32Å; A56-L59 PolarHBondContact O-N 2.83Å; A56-K60 PolarHBondContact O-N 3.41Å; A56-F112 HydrophobicContact CB-CB 3.75Å; A56-F112 HydrophobicContact CB-CD2 3.67Å; A56-F112 HydrophobicContact CB-CG 3.94Å; A56-V151 HydrophobicContact CB-CB 4.25Å; A56-V151 HydrophobicContact CB-CG2 4.17Å |
| 57 | R | 89.9 | Confident | 90 | Very high | 82 Ų | 82 | 42.7 Ų | 42.7 | 31% | 0.309 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.7 | -44.5 | 174.7 | -75.3 | -177.3 | -150.9 | 147 | 12.2 | 112.8 | S53 L54 L59 K60 E70 | S53-R57 PolarHBondContact O-N 2.8Å; L54-R57 PolarHBondContact O-N 2.93Å; R57-L59 VanDerWaalsContact C-N 3.27Å; R57-L59 PolarHBondContact O-N 3.37Å; R57-K60 WeakPolarHBondContact O-CB 3.3Å; R57-K60 PolarHBondContact O-N 3.21Å; R57-E70 WeakPolarHBondContact CD-OE1 3.46Å; R57-E70 WeakPolarHBondContact CG-OE1 3.37Å; R57-E70 IonicContact CZ-OE1 3.64Å; R57-E70 IonicContact CZ-OE2 3.45Å; R57-E70 IonicContact NE-OE1 3.42Å; R57-E70 PolarHBondContact NE-OE1 2.55Å; R57-E70 IonicContact NE-OE2 3.64Å; R57-E70 PolarHBondContact NE-OE2 2.8Å; R57-E70 IonicContact NH2-OE2 2.71Å; R57-E70 PolarHBondContact NH2-OE2 2.62Å |
| 58 | R | 90.6 | Very high | 90.2 | Very high | 10 Ų | 10 | 42.6 Ų | 42.6 | 4% | 0.038 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 178.8 | -72.9 | -75.5 | -172.2 | -172.9 | -0.2 | 110.9 | L18 L22 I29 L54 I55 A56 K60 F61 E196 D198 P200 | L18-R58 HydrophobicContact CD2-CB 4.38Å; L18-R58 WeakPolarHBondContact CD2-O 3.49Å; L22-R58 HydrophobicContact CD1-CG 4.33Å; I29-R58 HydrophobicContact CD1-CB 4.41Å; L54-R58 HydrophobicContact CD1-CG 4.33Å; L54-R58 HydrophobicContact CG-CG 4.4Å; L54-R58 WeakPolarHBondContact O-CB 3.49Å; L54-R58 VanDerWaalsContact O-CG 3.28Å; L54-R58 WeakPolarHBondContact O-CG 3.02Å; L54-R58 PolarHBondContact O-N 3.35Å; I55-R58 PolarHBondContact O-N 2.98Å; A56-R58 PolarHBondContact O-N 3.32Å; R58-K60 PolarHBondContact O-N 3.26Å; R58-F61 WeakPolarHBondContact O-CB 3.5Å; R58-F61 PolarHBondContact O-N 2.84Å; R58-E196 VanDerWaalsContact CZ-O 3.22Å; R58-E196 PolarHBondContact NE-O 3.38Å; R58-E196 PolarHBondContact NH2-O 2.96Å; R58-E196 VanDerWaalsContact NH2-O 3.08Å; R58-D198 PolarHBondContact NH1-O 3.05Å; R58-P200 VanDerWaalsContact NH1-CD 3.31Å |
| 59 | L | 93.2 | Very high | 90.6 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.2 | -20.9 | -179.9 | -71 | 163 | 0 | 0 | 0 | 114.3 | L18 C32 L33 I55 A56 R57 F61 A62 L149 | L18-L59 HydrophobicContact CD1-CD2 4.26Å; C32-L59 HydrophobicContact CB-CD1 3.27Å; C32-L59 HydrophobicContact CB-CD2 4.49Å; C32-L59 HydrophobicContact CB-CG 4.47Å; L33-L59 HydrophobicContact CB-CD2 3.94Å; L33-L59 HydrophobicContact CD1-CD2 4.26Å; I55-L59 HydrophobicContact CG2-CD1 4.09Å; I55-L59 WeakPolarHBondContact O-CD1 3.49Å; I55-L59 WeakPolarHBondContact O-CG 3.12Å; I55-L59 PolarHBondContact O-N 3.31Å; A56-L59 PolarHBondContact O-N 2.83Å; R57-L59 VanDerWaalsContact C-N 3.27Å; R57-L59 PolarHBondContact O-N 3.37Å; L59-F61 PolarHBondContact O-N 2.84Å; L59-A62 VanDerWaalsContact O-CB 3.25Å; L59-A62 WeakPolarHBondContact O-CB 3.28Å; L59-A62 PolarHBondContact O-N 3.29Å; L59-A62 VanDerWaalsContact O-N 3.1Å; L59-L149 HydrophobicContact CB-CD2 4.08Å; L59-L149 HydrophobicContact CD1-CD2 3.38Å; L59-L149 HydrophobicContact CG-CD2 4.3Å |
| 60 | K | 92.7 | Very high | 91.1 | Very high | 79 Ų | 79 | 38.3 Ų | 38.3 | 34% | 0.343 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -54.5 | -42.2 | 167.5 | -172.9 | -165.3 | 178.4 | -176.8 | 0 | 111.3 | A56 R57 R58 A62 F63 A66 A68 | A56-K60 PolarHBondContact O-N 3.41Å; R57-K60 WeakPolarHBondContact O-CB 3.3Å; R57-K60 PolarHBondContact O-N 3.21Å; R58-K60 PolarHBondContact O-N 3.26Å; K60-A62 PolarHBondContact O-N 2.94Å; K60-F63 PolarHBondContact O-N 3.48Å; K60-A66 WeakPolarHBondContact CE-O 3.37Å; K60-A66 HydrophobicContact CG-CB 4.28Å; K60-A66 WeakPolarHBondContact CG-O 3.29Å; K60-A68 HydrophobicContact CB-CB 4.46Å; K60-A68 HydrophobicContact CD-CB 3.83Å; K60-A68 HydrophobicContact CG-CB 4.12Å |
| 61 | F | 93.5 | Very high | 91.6 | Very high | 41 Ų | 41 | 40.1 Ų | 40.1 | 18% | 0.18 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.7 | -6.2 | -178.9 | -57.1 | -55.6 | 0 | 0 | 0 | 113.9 | R58 L59 F63 N197 N199 V201 Q206 | R58-F61 WeakPolarHBondContact O-CB 3.5Å; R58-F61 PolarHBondContact O-N 2.84Å; L59-F61 PolarHBondContact O-N 2.84Å; F61-F63 PolarHBondContact O-N 3.18Å; F61-N197 WeakPolarHBondContact CZ-O 3.42Å; F61-N199 WeakPolarHBondContact CB-OD1 3.21Å; F61-N199 HydrophobicContact CD1-CB 3.71Å; F61-N199 VanDerWaalsContact CD1-CG 3.47Å; F61-N199 HydrophobicContact CD2-CB 4.47Å; F61-N199 HydrophobicContact CE1-CB 3.73Å; F61-N199 HydrophobicContact CE2-CB 4.49Å; F61-N199 HydrophobicContact CG-CB 4.1Å; F61-N199 WeakPolarHBondContact CG-OD1 3.45Å; F61-N199 HydrophobicContact CZ-CB 4.14Å; F61-V201 HydrophobicContact CB-CB 4.29Å; F61-V201 HydrophobicContact CB-CG2 3.93Å; F61-V201 WeakPolarHBondContact O-CB 3.14Å; F61-Q206 WeakPolarHBondContact O-CG 3.44Å |
| 62 | A | 94.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 21% | 0.206 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -20.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L14 L18 L33 L59 K60 V207 | L14-A62 HydrophobicContact CD1-CB 4.5Å; L14-A62 HydrophobicContact CD2-CB 4.35Å; L18-A62 HydrophobicContact CD1-CB 4.06Å; L33-A62 HydrophobicContact CD1-CB 3.94Å; L59-A62 VanDerWaalsContact O-CB 3.25Å; L59-A62 WeakPolarHBondContact O-CB 3.28Å; L59-A62 PolarHBondContact O-N 3.29Å; L59-A62 VanDerWaalsContact O-N 3.1Å; K60-A62 PolarHBondContact O-N 2.94Å; A62-V207 PolarHBondContact O-N 3.33Å |
| 63 | F | 95.3 | Very high | 92.3 | Very high | 3 Ų | 3 | 42.2 Ų | 42.2 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | B | Isolated β-bridge | trans | -122.4 | 142.3 | -173.5 | -61 | -78.9 | 0 | 0 | 0 | 111.1 | A36 L37 K60 F61 N65 A66 I110 R148 V207 Y212 | A36-F63 HydrophobicContact CB-CE2 3.82Å; A36-F63 HydrophobicContact CB-CZ 3.9Å; L37-F63 HydrophobicContact CD2-CE1 4.17Å; L37-F63 HydrophobicContact CD2-CZ 4.23Å; K60-F63 PolarHBondContact O-N 3.48Å; F61-F63 PolarHBondContact O-N 3.18Å; F63-N65 PolarHBondContact O-N 2.98Å; F63-A66 HydrophobicContact CB-CB 3.77Å; F63-I110 HydrophobicContact CD2-CD1 4.06Å; F63-I110 HydrophobicContact CE2-CD1 3.95Å; F63-R148 HydrophobicContact CZ-CB 4.36Å; F63-V207 WeakPolarHBondContact CA-O 3.38Å; F63-V207 HydrophobicContact CD1-CB 3.75Å; F63-V207 HydrophobicContact CD1-CG1 4.04Å; F63-V207 HydrophobicContact CE1-CB 4.13Å; F63-V207 HydrophobicContact CE1-CG1 4.15Å; F63-Y212 AromaticContact CE1-CD2 3.91Å; F63-Y212 HydrophobicContact CE1-CD2 3.91Å; F63-Y212 HydrophobicContact CE1-CE2 4.4Å |
| 64 | Q | 91.1 | Very high | 92.3 | Very high | 87 Ų | 87 | 43.3 Ų | 43.3 | 41% | 0.407 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | 133.3 | 176.3 | -163.8 | 178.2 | 17.9 | 0 | 0 | 110.2 | A66 V207 | Q64-A66 PolarHBondContact O-N 3.06Å; Q64-V207 PolarHBondContact N-O 3.1Å |
| 65 | N | 87.6 | Confident | 92.3 | Very high | 144 Ų | 144 | 51.9 Ų | 51.9 | 77% | 0.77 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 55 | 21.2 | 175.8 | -57.1 | -34.9 | 0 | 0 | 0 | 115.9 | F63 R67 | F63-N65 PolarHBondContact O-N 2.98Å; N65-R67 PolarHBondContact O-N 2.53Å |
| 66 | A | 91.6 | Very high | 92.2 | Very high | 7 Ų | 7 | 59 Ų | 59 | 6% | 0.058 | 27% | 0.272 | C | S | . | . | trans | -67.7 | 134.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | K60 F63 Q64 E109 | K60-A66 WeakPolarHBondContact CE-O 3.37Å; K60-A66 HydrophobicContact CG-CB 4.28Å; K60-A66 WeakPolarHBondContact CG-O 3.29Å; F63-A66 HydrophobicContact CB-CB 3.77Å; Q64-A66 PolarHBondContact O-N 3.06Å; A66-E109 HydrophobicContact CB-CB 4.05Å | ||
| 67 | R | 94.2 | Very high | 92.3 | Very high | 111 Ų | 111 | 59.3 Ų | 59.3 | 42% | 0.419 | 28% | 0.275 | S | S | . | . | trans | -88.2 | 141 | 170.5 | -62.1 | 167.6 | -74.7 | -175.5 | -3 | 109 | N65 E107 E109 I110 | N65-R67 PolarHBondContact O-N 2.53Å; R67-E107 PolarHBondContact NE-O 3.38Å; R67-E107 IonicContact NH1-OE2 2.63Å; R67-E107 PolarHBondContact NH1-OE2 3.39Å; R67-E107 PolarHBondContact NH2-O 2.97Å; R67-E109 WeakPolarHBondContact CA-OE2 3.35Å; R67-E109 VanDerWaalsContact CB-OE2 3.23Å; R67-E109 WeakPolarHBondContact CB-OE2 3.22Å; R67-E109 IonicContact CZ-OE1 3.04Å; R67-E109 PolarHBondContact N-OE2 3.46Å; R67-E109 IonicContact NE-OE1 2.7Å; R67-E109 PolarHBondContact NE-OE1 2.89Å; R67-E109 IonicContact NE-OE2 3.27Å; R67-E109 PolarHBondContact NE-OE2 3.06Å; R67-E109 IonicContact NH2-OE1 3.18Å; R67-E109 PolarHBondContact NH2-OE1 3.34Å; R67-E109 PolarHBondContact O-N 3.34Å; R67-E109 VanDerWaalsContact O-N 3.07Å; R67-I110 PolarHBondContact O-N 2.85Å; R67-I110 VanDerWaalsContact O-N 3.08Å | ||
| 68 | A | 93.1 | Very high | 92.3 | Very high | 39 Ų | 39 | 58.2 Ų | 58.2 | 32% | 0.322 | 28% | 0.277 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.5 | 140.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | K60 I110 | K60-A68 HydrophobicContact CB-CB 4.46Å; K60-A68 HydrophobicContact CD-CB 3.83Å; K60-A68 HydrophobicContact CG-CB 4.12Å; A68-I110 CarbonylContact C-O 3.54Å; A68-I110 VanDerWaalsContact CA-O 3.24Å; A68-I110 WeakPolarHBondContact CA-O 3.48Å |
| 69 | F | 95.1 | Very high | 92.1 | Very high | 16 Ų | 16 | 59.3 Ų | 59.3 | 7% | 0.07 | 29% | 0.286 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.5 | 126 | 171.6 | 176.2 | -96.6 | 0 | 0 | 0 | 109.1 | Y71 V82 Y104 L105 A108 I110 V111 F112 L113 | F69-Y71 HydrophobicContact CE1-CG 4.47Å; F69-Y71 HydrophobicContact CZ-CD2 4.36Å; F69-Y71 HydrophobicContact CZ-CG 4.19Å; F69-V82 HydrophobicContact CE1-CG1 4.17Å; F69-V82 HydrophobicContact CZ-CG1 4.4Å; F69-Y104 HydrophobicContact CE2-CD1 4.11Å; F69-L105 HydrophobicContact CD1-CB 3.91Å; F69-L105 HydrophobicContact CD1-CG 4.49Å; F69-L105 HydrophobicContact CE1-CB 4.08Å; F69-L105 HydrophobicContact CG-CB 4.28Å; F69-A108 HydrophobicContact CB-CB 3.56Å; F69-I110 PolarHBondContact N-O 3.15Å; F69-V111 HydrophobicContact CD1-CG1 4.16Å; F69-V111 CarbonylContact O-C 3.56Å; F69-V111 WeakPolarHBondContact O-CA 3.38Å; F69-F112 PolarHBondContact O-N 3.25Å; F69-L113 HydrophobicContact CD1-CD2 4.38Å; F69-L113 HydrophobicContact CE1-CD2 4.06Å |
| 70 | E | 94.8 | Very high | 91.9 | Very high | 77 Ų | 77 | 63.4 Ų | 63.4 | 36% | 0.36 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.6 | 130.7 | 178.5 | -64.8 | -179 | -143.8 | 0 | 0 | 109.2 | R57 F112 | R57-E70 WeakPolarHBondContact CD-OE1 3.46Å; R57-E70 WeakPolarHBondContact CG-OE1 3.37Å; R57-E70 IonicContact CZ-OE1 3.64Å; R57-E70 IonicContact CZ-OE2 3.45Å; R57-E70 IonicContact NE-OE1 3.42Å; R57-E70 PolarHBondContact NE-OE1 2.55Å; R57-E70 IonicContact NE-OE2 3.64Å; R57-E70 PolarHBondContact NE-OE2 2.8Å; R57-E70 IonicContact NH2-OE2 2.71Å; R57-E70 PolarHBondContact NH2-OE2 2.62Å; E70-F112 WeakPolarHBondContact CA-O 3.43Å; E70-F112 HydrophobicContact CB-CD1 4.46Å; E70-F112 HydrophobicContact CG-CB 4.08Å; E70-F112 HydrophobicContact CG-CD1 4.38Å |
| 71 | Y | 95.2 | Very high | 91.9 | Very high | 49 Ų | 49 | 63.6 Ų | 63.6 | 19% | 0.192 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -150.1 | 140.5 | 177.6 | -171.7 | -91.6 | 0 | 0 | 0 | 112.6 | F69 M73 S77 E81 V82 F112 L113 D114 | F69-Y71 HydrophobicContact CE1-CG 4.47Å; F69-Y71 HydrophobicContact CZ-CD2 4.36Å; F69-Y71 HydrophobicContact CZ-CG 4.19Å; Y71-M73 HydrophobicContact CD1-CE 3.73Å; Y71-M73 HydrophobicContact CD1-CG 4.42Å; Y71-M73 HydrophobicContact CD1-SD 3.81Å; Y71-M73 HydrophobicContact CE1-CE 4.37Å; Y71-M73 HydrophobicContact CE1-SD 3.94Å; Y71-S77 WeakPolarHBondContact CE1-OG 3.3Å; Y71-S77 PolarHBondContact OH-OG 3.08Å; Y71-E81 HydrophobicContact CE2-CB 3.66Å; Y71-E81 PolarHBondContact OH-OE1 3.39Å; Y71-E81 PolarHBondContact OH-OE2 3.23Å; Y71-V82 HydrophobicContact CD1-CG2 4.06Å; Y71-V82 HydrophobicContact CE1-CG2 4.14Å; Y71-V82 HydrophobicContact CG-CG2 4.48Å; Y71-F112 PolarHBondContact N-O 3.44Å; Y71-L113 WeakPolarHBondContact O-CA 3.46Å; Y71-D114 PolarHBondContact O-N 3.18Å |
| 72 | L | 94.6 | Very high | 91.8 | Very high | 97 Ų | 97 | 61.6 Ų | 61.6 | 51% | 0.508 | 30% | 0.298 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 116.2 | 175.6 | 174.9 | 65.8 | 0 | 0 | 0 | 110.1 | D114 E115 | L72-D114 HydrophobicContact CD1-CB 3.84Å; L72-E115 HydrophobicContact CD1-CB 4.02Å; L72-E115 HydrophobicContact CD1-CG 3.87Å |
| 73 | M | 92.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 61.7 Ų | 61.7 | 1% | 0.01 | 30% | 0.298 | C | S | . | . | trans | -79.4 | 136.9 | -179.3 | -64.8 | -69.3 | 169.9 | 0 | 0 | 111.9 | Y71 V82 L113 D114 E115 A119 I123 L127 | Y71-M73 HydrophobicContact CD1-CE 3.73Å; Y71-M73 HydrophobicContact CD1-CG 4.42Å; Y71-M73 HydrophobicContact CD1-SD 3.81Å; Y71-M73 HydrophobicContact CE1-CE 4.37Å; Y71-M73 HydrophobicContact CE1-SD 3.94Å; M73-V82 HydrophobicContact CE-CG1 4.36Å; M73-V82 HydrophobicContact CE-CG2 3.67Å; M73-V82 HydrophobicContact SD-CG2 4.33Å; M73-L113 HydrophobicContact CE-CB 4.24Å; M73-L113 HydrophobicContact CE-CD1 3.91Å; M73-L113 HydrophobicContact CE-CD2 3.44Å; M73-L113 VanDerWaalsContact CE-CD2 3.44Å; M73-L113 HydrophobicContact CE-CG 4.04Å; M73-L113 HydrophobicContact CG-CB 4.5Å; M73-D114 VanDerWaalsContact CB-O 3.23Å; M73-D114 WeakPolarHBondContact CB-O 3.38Å; M73-D114 PolarHBondContact N-O 3.31Å; M73-E115 WeakPolarHBondContact CB-O 3.48Å; M73-A119 HydrophobicContact CB-CB 4.13Å; M73-A119 HydrophobicContact CG-CB 4.37Å; M73-A119 HydrophobicContact SD-CB 4.18Å; M73-I123 HydrophobicContact CE-CG2 4.48Å; M73-I123 HydrophobicContact SD-CG2 4.38Å; M73-L127 HydrophobicContact CE-CD1 4.35Å | ||
| 74 | T | 90.8 | Very high | 91.6 | Very high | 54 Ų | 54 | 61.5 Ų | 61.5 | 33% | 0.331 | 30% | 0.298 | S | S | . | . | trans | -137.3 | 166.9 | 174.7 | 76.1 | 0 | 0 | 0 | 0 | 109.9 | F76 S77 K118 | T74-F76 PolarHBondContact O-N 3.37Å; T74-F76 VanDerWaalsContact O-N 3.07Å; T74-F76 PolarHBondContact OG1-N 2.81Å; T74-S77 PolarHBondContact N-OG 2.66Å; T74-S77 WeakPolarHBondContact O-CB 3.28Å; T74-S77 PolarHBondContact O-N 3.11Å; T74-S77 PolarHBondContact O-OG 3.31Å; T74-S77 PolarHBondContact OG1-N 3.38Å; T74-S77 PolarHBondContact OG1-OG 2.98Å; T74-S77 VanDerWaalsContact OG1-OG 3.08Å; T74-K118 CarbonylContact C-O 3.48Å | ||
| 75 | R | 87.6 | Confident | 91.6 | Very high | 189 Ų | 189 | 59.5 Ų | 59.5 | 71% | 0.713 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62 | -17 | 175.8 | 68.4 | -176.4 | 179.1 | -170.5 | -1.3 | 114.1 | K118 | R75-K118 WeakPolarHBondContact CA-O 3.48Å; R75-K118 PolarHBondContact N-O 3.48Å |
| 76 | F | 90 | Very high | 91.5 | Very high | 149 Ų | 149 | 54.9 Ų | 54.9 | 65% | 0.654 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -104.4 | -4.2 | 179.7 | -56.1 | -62.9 | 0 | 0 | 0 | 113.1 | T74 T78 | T74-F76 PolarHBondContact O-N 3.37Å; T74-F76 VanDerWaalsContact O-N 3.07Å; T74-F76 PolarHBondContact OG1-N 2.81Å; F76-T78 PolarHBondContact O-N 3.4Å |
| 77 | S | 90.7 | Very high | 91.2 | Very high | 10 Ų | 10 | 55.4 Ų | 55.4 | 7% | 0.07 | 27% | 0.271 | C | S | . | . | trans | -57.7 | 141.1 | 177.5 | -65 | 0 | 0 | 0 | 0 | 109 | Y71 T74 E81 I123 | Y71-S77 WeakPolarHBondContact CE1-OG 3.3Å; Y71-S77 PolarHBondContact OH-OG 3.08Å; T74-S77 PolarHBondContact N-OG 2.66Å; T74-S77 WeakPolarHBondContact O-CB 3.28Å; T74-S77 PolarHBondContact O-N 3.11Å; T74-S77 PolarHBondContact O-OG 3.31Å; T74-S77 PolarHBondContact OG1-N 3.38Å; T74-S77 PolarHBondContact OG1-OG 2.98Å; T74-S77 VanDerWaalsContact OG1-OG 3.08Å; S77-E81 WeakPolarHBondContact CA-OE2 3.43Å; S77-I123 VanDerWaalsContact CB-CD1 3.42Å; S77-I123 WeakPolarHBondContact O-CD1 3.48Å | ||
| 78 | T | 89.9 | Confident | 90.7 | Very high | 58 Ų | 58 | 56.1 Ų | 56.1 | 36% | 0.356 | 28% | 0.281 | S | S | . | . | trans | -114 | 155.6 | -178.9 | 62.4 | 0 | 0 | 0 | 0 | 111.2 | F76 E80 E81 | F76-T78 PolarHBondContact O-N 3.4Å; T78-E80 PolarHBondContact O-N 3.44Å; T78-E80 VanDerWaalsContact O-N 3.13Å; T78-E81 PolarHBondContact N-OE2 3.01Å; T78-E81 PolarHBondContact O-N 2.86Å; T78-E81 PolarHBondContact OG1-OE2 3.5Å | ||
| 79 | P | 87.1 | Confident | 90.1 | Very high | 34 Ų | 34 | 60.9 Ų | 60.9 | 22% | 0.221 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -57.2 | -25.6 | 174.4 | -26.7 | 35.4 | 0 | 0 | 0 | 114 | V82 F83 I123 | P79-V82 PolarHBondContact O-N 2.9Å; P79-F83 HydrophobicContact CB-CD2 4.28Å; P79-F83 WeakPolarHBondContact O-CB 3.43Å; P79-F83 WeakPolarHBondContact O-CD2 3.45Å; P79-F83 PolarHBondContact O-N 3.31Å; P79-I123 HydrophobicContact CG-CG1 4.11Å |
| 80 | E | 89.1 | Confident | 89.4 | Confident | 86 Ų | 86 | 60.5 Ų | 60.5 | 40% | 0.402 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -64.9 | -36.3 | 177.6 | -74.5 | 174 | -162.6 | 0 | 0 | 113.5 | T78 V82 G84 R99 | T78-E80 PolarHBondContact O-N 3.44Å; T78-E80 VanDerWaalsContact O-N 3.13Å; E80-V82 VanDerWaalsContact C-N 3.25Å; E80-V82 PolarHBondContact O-N 2.82Å; E80-G84 CarbonylContact O-C 3.53Å; E80-G84 WeakPolarHBondContact O-CA 3.31Å; E80-G84 PolarHBondContact O-N 3.16Å; E80-R99 VanDerWaalsContact CA-NH1 3.33Å |
| 81 | E | 91.6 | Very high | 88.5 | Confident | 82 Ų | 82 | 60 Ų | 60 | 38% | 0.383 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -74.5 | -20.8 | -179.1 | -63.8 | 167 | 122.5 | 0 | 0 | 112.4 | Y71 S77 T78 | Y71-E81 HydrophobicContact CE2-CB 3.66Å; Y71-E81 PolarHBondContact OH-OE1 3.39Å; Y71-E81 PolarHBondContact OH-OE2 3.23Å; S77-E81 WeakPolarHBondContact CA-OE2 3.43Å; T78-E81 PolarHBondContact N-OE2 3.01Å; T78-E81 PolarHBondContact O-N 2.86Å; T78-E81 PolarHBondContact OG1-OE2 3.5Å |
| 82 | V | 92.8 | Very high | 87.6 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -101 | -42 | -177.4 | -178.9 | 0 | 0 | 0 | 0 | 112 | F69 Y71 M73 P79 E80 L105 L127 | F69-V82 HydrophobicContact CE1-CG1 4.17Å; F69-V82 HydrophobicContact CZ-CG1 4.4Å; Y71-V82 HydrophobicContact CD1-CG2 4.06Å; Y71-V82 HydrophobicContact CE1-CG2 4.14Å; Y71-V82 HydrophobicContact CG-CG2 4.48Å; M73-V82 HydrophobicContact CE-CG1 4.36Å; M73-V82 HydrophobicContact CE-CG2 3.67Å; M73-V82 HydrophobicContact SD-CG2 4.33Å; P79-V82 PolarHBondContact O-N 2.9Å; E80-V82 VanDerWaalsContact C-N 3.25Å; E80-V82 PolarHBondContact O-N 2.82Å; V82-L105 HydrophobicContact CG1-CB 4.12Å; V82-L105 HydrophobicContact CG1-CD1 3.68Å; V82-L105 VanDerWaalsContact O-CB 3.22Å; V82-L105 WeakPolarHBondContact O-CB 3.29Å; V82-L105 PolarHBondContact O-N 2.86Å; V82-L105 VanDerWaalsContact O-N 3.12Å; V82-L127 HydrophobicContact CG1-CD2 4.33Å |
| 83 | F | 92.3 | Very high | 87 | Confident | 1 Ų | 1 | 66.1 Ų | 66.1 | 0% | 0.004 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -106.6 | 0.1 | -174 | -62.1 | -84.5 | 0 | 0 | 0 | 113.7 | P79 L105 P106 T126 L127 A130 F136 | P79-F83 HydrophobicContact CB-CD2 4.28Å; P79-F83 WeakPolarHBondContact O-CB 3.43Å; P79-F83 WeakPolarHBondContact O-CD2 3.45Å; P79-F83 PolarHBondContact O-N 3.31Å; F83-L105 HydrophobicContact CD1-CD2 4.46Å; F83-L105 HydrophobicContact CE1-CD2 3.99Å; F83-P106 HydrophobicContact CB-CG 4.42Å; F83-P106 HydrophobicContact CD1-CG 3.99Å; F83-T126 HydrophobicContact CD1-CG2 4.4Å; F83-T126 HydrophobicContact CD2-CG2 4Å; F83-T126 HydrophobicContact CE1-CG2 3.92Å; F83-T126 HydrophobicContact CE2-CG2 3.46Å; F83-T126 VanDerWaalsContact CE2-CG2 3.46Å; F83-T126 HydrophobicContact CG-CG2 4.45Å; F83-T126 HydrophobicContact CZ-CG2 3.42Å; F83-T126 VanDerWaalsContact CZ-CG2 3.42Å; F83-L127 HydrophobicContact CE2-CD2 4.45Å; F83-L127 HydrophobicContact CZ-CD2 3.89Å; F83-L127 HydrophobicContact CZ-CG 4.28Å; F83-A130 HydrophobicContact CE1-CB 4.22Å; F83-F136 HydrophobicContact CB-CE2 3.71Å; F83-F136 HydrophobicContact CB-CZ 3.74Å; F83-F136 AromaticContact CD1-CD2 3.59Å; F83-F136 HydrophobicContact CD1-CD2 3.59Å; F83-F136 AromaticContact CD1-CE2 3.38Å; F83-F136 HydrophobicContact CD1-CE2 3.38Å; F83-F136 HydrophobicContact CD1-CZ 4.16Å; F83-F136 HydrophobicContact CE1-CD2 4.07Å; F83-F136 HydrophobicContact CE1-CE2 4.19Å; F83-F136 HydrophobicContact CG-CD2 4.38Å; F83-F136 AromaticContact CG-CE2 3.72Å; F83-F136 HydrophobicContact CG-CE2 3.72Å; F83-F136 HydrophobicContact CG-CZ 4.27Å |
| 84 | G | 91.7 | Very high | 86.5 | Confident | 0 Ų | 0 | 71.3 Ų | 71.3 | 0% | 0 | 35% | 0.349 | C | S | . | . | trans | 98.6 | 147.9 | 179.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | E80 R99 L100 | E80-G84 CarbonylContact O-C 3.53Å; E80-G84 WeakPolarHBondContact O-CA 3.31Å; E80-G84 PolarHBondContact O-N 3.16Å; G84-R99 PolarHBondContact O-NH1 3.27Å; G84-L100 VanDerWaalsContact CA-O 3.29Å; G84-L100 WeakPolarHBondContact CA-O 3.27Å | ||
| 85 | P | 91.4 | Very high | 86 | Confident | 45 Ų | 45 | 71.1 Ų | 71.1 | 29% | 0.292 | 36% | 0.357 | S | S | . | . | trans | -68.7 | 156 | -179.4 | 30 | -36 | 0 | 0 | 0 | 111.3 | R99 L100 | P85-R99 CarbonylContact O-C 3.59Å; P85-R99 VanDerWaalsContact O-CA 3.29Å; P85-R99 WeakPolarHBondContact O-CA 3.44Å; P85-L100 HydrophobicContact CG-CB 4.33Å; P85-L100 HydrophobicContact CG-CD1 4.47Å; P85-L100 PolarHBondContact O-N 3.15Å | ||
| 86 | L | 86.4 | Confident | 85.7 | Confident | 46 Ų | 46 | 67.6 Ų | 67.6 | 24% | 0.241 | 34% | 0.344 | C | S | . | . | B | Isolated β-bridge | trans | -68.8 | 135.9 | 172.1 | -71.6 | 165.2 | 0 | 0 | 0 | 110.6 | I88 E98 R99 | L86-I88 PolarHBondContact O-N 2.74Å; L86-E98 WeakPolarHBondContact CA-O 3.39Å; L86-R99 HydrophobicContact CD2-CG 3.71Å; L86-R99 HydrophobicContact CG-CG 4.31Å |
| 87 | S | 85.3 | Confident | 85.2 | Confident | 19 Ų | 19 | 68.1 Ų | 68.1 | 13% | 0.133 | 34% | 0.343 | C | S | . | . | trans | -68.3 | 103.2 | 170.9 | 177.3 | 0 | 0 | 0 | 0 | 109.3 | Q89 A90 L91 E98 | S87-Q89 PolarHBondContact O-N 2.84Å; S87-A90 PolarHBondContact O-N 3.37Å; S87-A90 PolarHBondContact OG-N 2.92Å; S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 PolarHBondContact O-N 3.41Å; S87-E98 PolarHBondContact N-O 3.37Å | ||
| 88 | I | 83.1 | Confident | 85 | Confident | 125 Ų | 125 | 71 Ų | 71 | 64% | 0.641 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -56.8 | -34.8 | 174.9 | -60.4 | -76.2 | 0 | 0 | 0 | 110.4 | L86 K92 | L86-I88 PolarHBondContact O-N 2.74Å; I88-K92 WeakPolarHBondContact O-CB 3.18Å; I88-K92 PolarHBondContact O-N 2.83Å |
| 89 | Q | 80.6 | Confident | 85 | Confident | 140 Ų | 140 | 70.7 Ų | 70.7 | 65% | 0.654 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -67.8 | -48.5 | 179.5 | -168.5 | 173.9 | 3 | 0 | 0 | 111.8 | S87 L91 K92 D93 | S87-Q89 PolarHBondContact O-N 2.84Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.19Å; Q89-K92 PolarHBondContact O-N 3.38Å; Q89-D93 VanDerWaalsContact CG-OD2 3.24Å; Q89-D93 WeakPolarHBondContact CG-OD2 3.28Å; Q89-D93 WeakPolarHBondContact O-CB 3.48Å; Q89-D93 PolarHBondContact O-N 3.3Å |
| 90 | A | 80.2 | Confident | 85.2 | Confident | 7 Ų | 7 | 73.5 Ų | 73.5 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -64.3 | -37.2 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | S87 E94 G95 R96 E98 | S87-A90 PolarHBondContact O-N 3.37Å; S87-A90 PolarHBondContact OG-N 2.92Å; A90-E94 CarbonylContact O-C 3.58Å; A90-E94 PolarHBondContact O-N 2.92Å; A90-G95 PolarHBondContact O-N 3.33Å; A90-G95 VanDerWaalsContact O-N 3.13Å; A90-R96 CarbonylContact C-O 3.55Å; A90-R96 PolarHBondContact O-N 3.27Å; A90-R96 VanDerWaalsContact O-N 3.11Å; A90-E98 HydrophobicContact CB-CB 4.11Å |
| 91 | L | 75.9 | Confident | 85.3 | Confident | 68 Ų | 68 | 70.2 Ų | 70.2 | 36% | 0.356 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -66.8 | -42.3 | 175.9 | -175.8 | 66.3 | 0 | 0 | 0 | 111.9 | S87 Q89 G95 R96 Y97 | S87-L91 WeakPolarHBondContact O-CB 3.41Å; S87-L91 PolarHBondContact O-N 3.41Å; Q89-L91 VanDerWaalsContact C-N 3.31Å; Q89-L91 PolarHBondContact O-N 3.19Å; L91-G95 VanDerWaalsContact O-CA 3.29Å; L91-G95 WeakPolarHBondContact O-CA 3.34Å; L91-G95 PolarHBondContact O-N 3.49Å; L91-R96 PolarHBondContact N-O 2.9Å; L91-Y97 HydrophobicContact CD1-CD1 4.43Å; L91-Y97 HydrophobicContact CD1-CE1 4.24Å |
| 92 | K | 76.6 | Confident | 85.3 | Confident | 170 Ų | 170 | 70.7 Ų | 70.7 | 74% | 0.739 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -77 | -45.1 | -176.1 | -177.9 | -177.2 | 173.8 | -170.8 | 0 | 113 | I88 Q89 | I88-K92 WeakPolarHBondContact O-CB 3.18Å; I88-K92 PolarHBondContact O-N 2.83Å; Q89-K92 PolarHBondContact O-N 3.38Å |
| 93 | D | 82.7 | Confident | 85.2 | Confident | 103 Ų | 103 | 73.5 Ų | 73.5 | 55% | 0.551 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -87.6 | -28.9 | -169.7 | -62.2 | -16.7 | 0 | 0 | 0 | 111.8 | Q89 | Q89-D93 VanDerWaalsContact CG-OD2 3.24Å; Q89-D93 WeakPolarHBondContact CG-OD2 3.28Å; Q89-D93 WeakPolarHBondContact O-CB 3.48Å; Q89-D93 PolarHBondContact O-N 3.3Å |
| 94 | E | 80.9 | Confident | 85.3 | Confident | 112 Ų | 112 | 76.9 Ų | 76.9 | 52% | 0.523 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -129.4 | -8 | -171.9 | -56.8 | 168.9 | 153.2 | 0 | 0 | 113.9 | A90 R96 | A90-E94 CarbonylContact O-C 3.58Å; A90-E94 PolarHBondContact O-N 2.92Å; E94-R96 HydrophobicContact CB-CG 3.98Å; E94-R96 VanDerWaalsContact CD-NH2 3.29Å; E94-R96 PolarHBondContact O-N 3Å; E94-R96 IonicContact OE1-NH2 3.24Å; E94-R96 PolarHBondContact OE1-NH2 3.38Å; E94-R96 IonicContact OE2-CZ 3.13Å; E94-R96 IonicContact OE2-NE 2.82Å; E94-R96 PolarHBondContact OE2-NE 3.44Å; E94-R96 IonicContact OE2-NH2 2.74Å; E94-R96 PolarHBondContact OE2-NH2 2.9Å |
| 95 | G | 79.7 | Confident | 85.5 | Confident | 50 Ų | 50 | 77 Ų | 77 | 52% | 0.515 | 40% | 0.401 | S | S | . | . | trans | 68.3 | 19.5 | -176.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | A90 L91 | A90-G95 PolarHBondContact O-N 3.33Å; A90-G95 VanDerWaalsContact O-N 3.13Å; L91-G95 VanDerWaalsContact O-CA 3.29Å; L91-G95 WeakPolarHBondContact O-CA 3.34Å; L91-G95 PolarHBondContact O-N 3.49Å | ||
| 96 | R | 81.5 | Confident | 85.6 | Confident | 114 Ų | 114 | 75 Ų | 75 | 43% | 0.43 | 39% | 0.389 | S | S | . | . | trans | -93.2 | 133.1 | -177.3 | -63.2 | -165.1 | -67.9 | 167.4 | 0.4 | 111.6 | A90 L91 E94 E98 | A90-R96 CarbonylContact C-O 3.55Å; A90-R96 PolarHBondContact O-N 3.27Å; A90-R96 VanDerWaalsContact O-N 3.11Å; L91-R96 PolarHBondContact N-O 2.9Å; E94-R96 HydrophobicContact CB-CG 3.98Å; E94-R96 VanDerWaalsContact CD-NH2 3.29Å; E94-R96 PolarHBondContact O-N 3Å; E94-R96 IonicContact OE1-NH2 3.24Å; E94-R96 PolarHBondContact OE1-NH2 3.38Å; E94-R96 IonicContact OE2-CZ 3.13Å; E94-R96 IonicContact OE2-NE 2.82Å; E94-R96 PolarHBondContact OE2-NE 3.44Å; E94-R96 IonicContact OE2-NH2 2.74Å; E94-R96 PolarHBondContact OE2-NH2 2.9Å; R96-E98 PolarHBondContact O-N 3Å; R96-E98 VanDerWaalsContact O-N 3.13Å | ||
| 97 | Y | 80.7 | Confident | 86 | Confident | 161 Ų | 161 | 75.1 Ų | 75.1 | 63% | 0.631 | 39% | 0.388 | S | S | * | . | trans | -84.5 | 75.3 | 174.8 | -71.5 | -93.3 | 0 | 0 | 0 | 110.7 | L91 G139 | L91-Y97 HydrophobicContact CD1-CD1 4.43Å; L91-Y97 HydrophobicContact CD1-CE1 4.24Å; Y97-G139 WeakPolarHBondContact O-CA 3.26Å; Y97-G139 PolarHBondContact O-N 3.47Å | ||
| 98 | E | 86.4 | Confident | 86.4 | Confident | 71 Ų | 71 | 74.3 Ų | 74.3 | 33% | 0.332 | 38% | 0.382 | S | S | . | . | trans | -107.3 | 134.8 | -179.6 | -169.3 | 177.2 | 155.6 | 0 | 0 | 110.8 | L86 S87 A90 R96 | L86-E98 WeakPolarHBondContact CA-O 3.39Å; S87-E98 PolarHBondContact N-O 3.37Å; A90-E98 HydrophobicContact CB-CB 4.11Å; R96-E98 PolarHBondContact O-N 3Å; R96-E98 VanDerWaalsContact O-N 3.13Å | ||
| 99 | R | 89.7 | Confident | 87 | Confident | 51 Ų | 51 | 69 Ų | 69 | 19% | 0.192 | 36% | 0.355 | C | S | . | . | B | Isolated β-bridge | trans | -103.4 | 142.7 | 177.5 | -71.4 | 174 | 175.8 | -80.4 | -5.2 | 110.8 | E80 G84 P85 L86 T101 N138 | E80-R99 VanDerWaalsContact CA-NH1 3.33Å; G84-R99 PolarHBondContact O-NH1 3.27Å; P85-R99 CarbonylContact O-C 3.59Å; P85-R99 VanDerWaalsContact O-CA 3.29Å; P85-R99 WeakPolarHBondContact O-CA 3.44Å; L86-R99 HydrophobicContact CD2-CG 3.71Å; L86-R99 HydrophobicContact CG-CG 4.31Å; R99-T101 PolarHBondContact O-N 3.32Å; R99-N138 PolarHBondContact N-OD1 3.49Å; R99-N138 PolarHBondContact O-ND2 3.09Å; R99-N138 VanDerWaalsContact O-ND2 3.11Å |
| 100 | L | 91 | Very high | 87.8 | Confident | 93 Ų | 93 | 62.4 Ų | 62.4 | 49% | 0.487 | 32% | 0.324 | S | S | . | . | trans | -84 | 97.6 | 174.2 | -58.8 | 177.5 | 0 | 0 | 0 | 109.4 | G84 P85 Y104 | G84-L100 VanDerWaalsContact CA-O 3.29Å; G84-L100 WeakPolarHBondContact CA-O 3.27Å; P85-L100 HydrophobicContact CG-CB 4.33Å; P85-L100 HydrophobicContact CG-CD1 4.47Å; P85-L100 PolarHBondContact O-N 3.15Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å | ||
| 101 | T | 91.5 | Very high | 88.5 | Confident | 16 Ų | 16 | 62.1 Ų | 62.1 | 10% | 0.098 | 32% | 0.321 | C | S | . | . | trans | -82.6 | -10.3 | -171.7 | 53.6 | 0 | 0 | 0 | 0 | 115 | R99 G103 Y104 P106 E107 F136 | R99-T101 PolarHBondContact O-N 3.32Å; T101-G103 PolarHBondContact O-N 3.01Å; T101-Y104 WeakPolarHBondContact O-CB 3.32Å; T101-Y104 PolarHBondContact O-N 3.41Å; T101-P106 HydrophobicContact CG2-CB 3.99Å; T101-P106 HydrophobicContact CG2-CG 3.98Å; T101-E107 PolarHBondContact OG1-OE1 3.39Å; T101-F136 HydrophobicContact CG2-CD1 4.31Å; T101-F136 HydrophobicContact CG2-CE1 3.88Å | ||
| 102 | S | 90.6 | Very high | 89.5 | Confident | 92 Ų | 92 | 59.1 Ų | 59.1 | 64% | 0.643 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.8 | 122.5 | -172.9 | -165.2 | 0 | 0 | 0 | 0 | 112.3 | Y104 E107 | S102-Y104 VanDerWaalsContact C-N 3.3Å; S102-Y104 WeakPolarHBondContact O-CD2 3.39Å; S102-Y104 WeakPolarHBondContact O-CE2 3.5Å; S102-E107 WeakPolarHBondContact CA-OE1 3.22Å; S102-E107 PolarHBondContact N-OE1 2.84Å |
| 103 | G | 91.1 | Very high | 90.4 | Very high | 60 Ų | 60 | 51 Ų | 51 | 62% | 0.619 | 27% | 0.271 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.3 | 3.6 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.1 | T101 | T101-G103 PolarHBondContact O-N 3.01Š|
| 104 | Y | 95.2 | Very high | 91 | Very high | 71 Ų | 71 | 47.9 Ų | 47.9 | 28% | 0.278 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -105.9 | 176.4 | 178.5 | -65.2 | -88 | 0 | 0 | 0 | 112 | F69 L100 T101 S102 E107 | F69-Y104 HydrophobicContact CE2-CD1 4.11Å; L100-Y104 WeakPolarHBondContact O-CD2 3.43Å; T101-Y104 WeakPolarHBondContact O-CB 3.32Å; T101-Y104 PolarHBondContact O-N 3.41Å; S102-Y104 VanDerWaalsContact C-N 3.3Å; S102-Y104 WeakPolarHBondContact O-CD2 3.39Å; S102-Y104 WeakPolarHBondContact O-CE2 3.5Å; Y104-E107 PolarHBondContact O-N 3.49Å |
| 105 | L | 94.6 | Very high | 91.5 | Very high | 2 Ų | 2 | 43.5 Ų | 43.5 | 1% | 0.01 | 23% | 0.233 | C | C | . | . | G | 310 helix | trans | -49.4 | -43.2 | -176.5 | -174.3 | 156.9 | 0 | 0 | 0 | 114.9 | F69 V82 F83 E107 A108 V111 L127 A130 I145 | F69-L105 HydrophobicContact CD1-CB 3.91Å; F69-L105 HydrophobicContact CD1-CG 4.49Å; F69-L105 HydrophobicContact CE1-CB 4.08Å; F69-L105 HydrophobicContact CG-CB 4.28Å; V82-L105 HydrophobicContact CG1-CB 4.12Å; V82-L105 HydrophobicContact CG1-CD1 3.68Å; V82-L105 VanDerWaalsContact O-CB 3.22Å; V82-L105 WeakPolarHBondContact O-CB 3.29Å; V82-L105 PolarHBondContact O-N 2.86Å; V82-L105 VanDerWaalsContact O-N 3.12Å; F83-L105 HydrophobicContact CD1-CD2 4.46Å; F83-L105 HydrophobicContact CE1-CD2 3.99Å; L105-E107 PolarHBondContact O-N 3.28Å; L105-A108 PolarHBondContact O-N 2.87Å; L105-V111 HydrophobicContact CD1-CG1 3.79Å; L105-V111 HydrophobicContact CG-CG1 4.1Å; L105-V111 HydrophobicContact CG-CG2 4.07Å; L105-L127 HydrophobicContact CD1-CD2 3.66Å; L105-A130 HydrophobicContact CD2-CB 4.49Å; L105-I145 HydrophobicContact CD2-CD1 4.31Å; L105-I145 HydrophobicContact CD2-CG2 4.47Å |
| 106 | P | 94.2 | Very high | 92.1 | Very high | 5 Ų | 5 | 41.1 Ų | 41.1 | 3% | 0.032 | 21% | 0.209 | C | C | . | . | G | 310 helix | trans | -58.3 | -23.6 | -176.3 | -27.8 | 37.3 | 0 | 0 | 0 | 114.8 | F83 T101 F136 P146 | F83-P106 HydrophobicContact CB-CG 4.42Å; F83-P106 HydrophobicContact CD1-CG 3.99Å; T101-P106 HydrophobicContact CG2-CB 3.99Å; T101-P106 HydrophobicContact CG2-CG 3.98Å; P106-F136 HydrophobicContact CB-CB 4.41Å; P106-F136 HydrophobicContact CB-CD1 3.97Å; P106-F136 HydrophobicContact CB-CG 4.25Å; P106-F136 HydrophobicContact CG-CD1 3.81Å; P106-F136 HydrophobicContact CG-CD2 4.4Å; P106-F136 HydrophobicContact CG-CE1 3.98Å; P106-F136 HydrophobicContact CG-CG 4.01Å; P106-F136 HydrophobicContact CG-CZ 4.34Å; P106-P146 WeakPolarHBondContact O-CD 3.47Å |
| 107 | E | 94.4 | Very high | 92.6 | Very high | 47 Ų | 47 | 36.6 Ų | 36.6 | 22% | 0.22 | 19% | 0.192 | C | C | . | . | G | 310 helix | trans | -101.6 | -6.5 | -179.7 | -80.2 | -177.6 | -146.1 | 0 | 0 | 113.5 | R67 T101 S102 Y104 L105 | R67-E107 PolarHBondContact NE-O 3.38Å; R67-E107 IonicContact NH1-OE2 2.63Å; R67-E107 PolarHBondContact NH1-OE2 3.39Å; R67-E107 PolarHBondContact NH2-O 2.97Å; T101-E107 PolarHBondContact OG1-OE1 3.39Å; S102-E107 WeakPolarHBondContact CA-OE1 3.22Å; S102-E107 PolarHBondContact N-OE1 2.84Å; Y104-E107 PolarHBondContact O-N 3.49Å; L105-E107 PolarHBondContact O-N 3.28Å |
| 108 | A | 94.9 | Very high | 92.9 | Very high | 2 Ų | 2 | 33.1 Ų | 33.1 | 2% | 0.017 | 18% | 0.18 | C | C | . | . | trans | -88.3 | 133.4 | -173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | F69 L105 V111 M147 | F69-A108 HydrophobicContact CB-CB 3.56Å; L105-A108 PolarHBondContact O-N 2.87Å; A108-V111 HydrophobicContact CB-CG2 3.94Å; A108-M147 WeakPolarHBondContact O-CA 3.48Å; A108-M147 PolarHBondContact O-N 3.44Å | ||
| 109 | E | 95.4 | Very high | 93 | Very high | 13 Ų | 13 | 30.1 Ų | 30.1 | 6% | 0.061 | 17% | 0.167 | C | C | . | . | S | Bend | trans | -77.9 | -34.1 | 170.9 | -67.8 | 73.3 | -161.2 | 0 | 0 | 111.5 | A66 R67 P146 M147 R148 L149 | A66-E109 HydrophobicContact CB-CB 4.05Å; R67-E109 WeakPolarHBondContact CA-OE2 3.35Å; R67-E109 VanDerWaalsContact CB-OE2 3.23Å; R67-E109 WeakPolarHBondContact CB-OE2 3.22Å; R67-E109 IonicContact CZ-OE1 3.04Å; R67-E109 PolarHBondContact N-OE2 3.46Å; R67-E109 IonicContact NE-OE1 2.7Å; R67-E109 PolarHBondContact NE-OE1 2.89Å; R67-E109 IonicContact NE-OE2 3.27Å; R67-E109 PolarHBondContact NE-OE2 3.06Å; R67-E109 IonicContact NH2-OE1 3.18Å; R67-E109 PolarHBondContact NH2-OE1 3.34Å; R67-E109 PolarHBondContact O-N 3.34Å; R67-E109 VanDerWaalsContact O-N 3.07Å; E109-P146 HydrophobicContact CG-CB 4.18Å; E109-P146 HydrophobicContact CG-CG 4.41Å; E109-M147 CarbonylContact O-C 3.55Å; E109-R148 HydrophobicContact CB-CG 4.31Å; E109-R148 PolarHBondContact O-N 3.46Å; E109-L149 PolarHBondContact O-N 3.33Å |
| 110 | I | 95.8 | Very high | 92.8 | Very high | 3 Ų | 3 | 28.6 Ų | 28.6 | 2% | 0.015 | 17% | 0.168 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 122.8 | 176.7 | -53.5 | -61.8 | 0 | 0 | 0 | 109.7 | F63 R67 A68 F69 L149 | F63-I110 HydrophobicContact CD2-CD1 4.06Å; F63-I110 HydrophobicContact CE2-CD1 3.95Å; R67-I110 PolarHBondContact O-N 2.85Å; R67-I110 VanDerWaalsContact O-N 3.08Å; A68-I110 CarbonylContact C-O 3.54Å; A68-I110 VanDerWaalsContact CA-O 3.24Å; A68-I110 WeakPolarHBondContact CA-O 3.48Å; F69-I110 PolarHBondContact N-O 3.15Å; I110-L149 HydrophobicContact CD1-CB 3.67Å; I110-L149 HydrophobicContact CD1-CD2 4.45Å; I110-L149 HydrophobicContact CG2-CD2 4.43Å |
| 111 | V | 95.9 | Very high | 92.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -119.8 | 130.2 | -176.7 | 178.9 | 0 | 0 | 0 | 0 | 109.5 | F69 L105 A108 L113 M147 L149 L150 V151 | F69-V111 HydrophobicContact CD1-CG1 4.16Å; F69-V111 CarbonylContact O-C 3.56Å; F69-V111 WeakPolarHBondContact O-CA 3.38Å; L105-V111 HydrophobicContact CD1-CG1 3.79Å; L105-V111 HydrophobicContact CG-CG1 4.1Å; L105-V111 HydrophobicContact CG-CG2 4.07Å; A108-V111 HydrophobicContact CB-CG2 3.94Å; V111-L113 HydrophobicContact CG1-CD1 4.5Å; V111-L113 HydrophobicContact CG1-CD2 3.92Å; V111-L113 HydrophobicContact CG1-CG 3.98Å; V111-M147 HydrophobicContact CB-SD 4.06Å; V111-M147 HydrophobicContact CG2-CG 3.97Å; V111-M147 HydrophobicContact CG2-SD 3.72Å; V111-L149 PolarHBondContact N-O 2.89Å; V111-L150 HydrophobicContact CB-CD1 3.81Å; V111-L150 HydrophobicContact CG1-CD1 3.46Å; V111-L150 VanDerWaalsContact CG1-CD1 3.46Å; V111-L150 CarbonylContact O-C 3.09Å; V111-L150 WeakPolarHBondContact O-CA 3.34Å; V111-V151 PolarHBondContact O-N 3.26Å |
| 112 | F | 96.6 | Very high | 92.1 | Very high | 6 Ų | 6 | 30.4 Ų | 30.4 | 3% | 0.026 | 19% | 0.19 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -122.1 | 120.6 | 173.1 | 178.3 | -101.9 | 0 | 0 | 0 | 110.5 | K52 S53 A56 F69 E70 Y71 D114 V151 A153 | K52-F112 HydrophobicContact CB-CE2 4.37Å; K52-F112 HydrophobicContact CB-CZ 4.35Å; S53-F112 WeakPolarHBondContact OG-CE1 3.36Å; S53-F112 VanDerWaalsContact OG-CZ 3.26Å; S53-F112 WeakPolarHBondContact OG-CZ 3.31Å; A56-F112 HydrophobicContact CB-CB 3.75Å; A56-F112 HydrophobicContact CB-CD2 3.67Å; A56-F112 HydrophobicContact CB-CG 3.94Å; F69-F112 PolarHBondContact O-N 3.25Å; E70-F112 WeakPolarHBondContact CA-O 3.43Å; E70-F112 HydrophobicContact CB-CD1 4.46Å; E70-F112 HydrophobicContact CG-CB 4.08Å; E70-F112 HydrophobicContact CG-CD1 4.38Å; Y71-F112 PolarHBondContact N-O 3.44Å; F112-D114 HydrophobicContact CE1-CB 3.71Å; F112-D114 HydrophobicContact CZ-CB 4.02Å; F112-V151 VanDerWaalsContact CA-O 3.32Å; F112-V151 WeakPolarHBondContact CA-O 3.41Å; F112-V151 HydrophobicContact CD2-CB 3.95Å; F112-V151 HydrophobicContact CD2-CG1 3.81Å; F112-V151 HydrophobicContact CE2-CG1 4.09Å; F112-A153 HydrophobicContact CE2-CB 3.76Å; F112-A153 HydrophobicContact CZ-CB 3.8Å |
| 113 | L | 95.4 | Very high | 91.9 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.6 | 109 | 178.8 | -55.9 | -178.4 | 0 | 0 | 0 | 108.9 | F69 Y71 M73 V111 I116 L127 L150 V151 A152 A153 | F69-L113 HydrophobicContact CD1-CD2 4.38Å; F69-L113 HydrophobicContact CE1-CD2 4.06Å; Y71-L113 WeakPolarHBondContact O-CA 3.46Å; M73-L113 HydrophobicContact CE-CB 4.24Å; M73-L113 HydrophobicContact CE-CD1 3.91Å; M73-L113 HydrophobicContact CE-CD2 3.44Å; M73-L113 VanDerWaalsContact CE-CD2 3.44Å; M73-L113 HydrophobicContact CE-CG 4.04Å; M73-L113 HydrophobicContact CG-CB 4.5Å; V111-L113 HydrophobicContact CG1-CD1 4.5Å; V111-L113 HydrophobicContact CG1-CD2 3.92Å; V111-L113 HydrophobicContact CG1-CG 3.98Å; L113-I116 HydrophobicContact CB-CD1 4.34Å; L113-I116 HydrophobicContact CD1-CD1 4.1Å; L113-L127 HydrophobicContact CD1-CD1 3.8Å; L113-L127 HydrophobicContact CD1-CD2 3.85Å; L113-L150 HydrophobicContact CD1-CD1 3.85Å; L113-L150 HydrophobicContact CG-CD1 3.88Å; L113-V151 PolarHBondContact N-O 2.99Å; L113-A152 CarbonylContact O-C 3.51Å; L113-A152 WeakPolarHBondContact O-CA 3.44Å; L113-A153 PolarHBondContact O-N 3.42Å |
| 114 | D | 94.9 | Very high | 91.7 | Very high | 37 Ų | 37 | 23.5 Ų | 23.5 | 20% | 0.198 | 13% | 0.132 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 148.9 | 177.3 | -155.7 | 5.5 | 0 | 0 | 0 | 111.1 | Y71 L72 M73 F112 I116 A153 | Y71-D114 PolarHBondContact O-N 3.18Å; L72-D114 HydrophobicContact CD1-CB 3.84Å; M73-D114 VanDerWaalsContact CB-O 3.23Å; M73-D114 WeakPolarHBondContact CB-O 3.38Å; M73-D114 PolarHBondContact N-O 3.31Å; F112-D114 HydrophobicContact CE1-CB 3.71Å; F112-D114 HydrophobicContact CZ-CB 4.02Å; D114-I116 VanDerWaalsContact C-N 3.29Å; D114-I116 PolarHBondContact O-N 2.88Å; D114-A153 CarbonylContact C-O 3.57Å; D114-A153 WeakPolarHBondContact OD1-CB 3.16Å |
| 115 | E | 92.8 | Very high | 91.1 | Very high | 20 Ų | 20 | 24.3 Ų | 24.3 | 9% | 0.093 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 42.5 | -176.8 | -63.1 | -74.3 | -143.7 | 0 | 0 | 114.9 | L72 M73 W117 K118 A153 S154 N155 | L72-E115 HydrophobicContact CD1-CB 4.02Å; L72-E115 HydrophobicContact CD1-CG 3.87Å; M73-E115 WeakPolarHBondContact CB-O 3.48Å; E115-W117 PolarHBondContact O-N 3.41Å; E115-K118 HydrophobicContact CB-CD 4.03Å; E115-K118 HydrophobicContact CB-CG 4.35Å; E115-K118 VanDerWaalsContact CD-NZ 3.26Å; E115-K118 HydrophobicContact CG-CD 4.4Å; E115-K118 WeakPolarHBondContact O-CB 3.36Å; E115-K118 PolarHBondContact O-N 3.22Å; E115-K118 IonicContact OE1-NZ 2.84Å; E115-K118 PolarHBondContact OE1-NZ 3.19Å; E115-K118 IonicContact OE2-NZ 3.21Å; E115-A153 WeakPolarHBondContact CA-O 3.27Å; E115-A153 PolarHBondContact N-O 3.29Å; E115-S154 PolarHBondContact OE2-OG 2.97Å; E115-S154 VanDerWaalsContact OE2-OG 3.07Å; E115-N155 PolarHBondContact OE1-ND2 3.1Å; E115-N155 PolarHBondContact OE2-N 3.29Å |
| 116 | I | 91.8 | Very high | 90.7 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | G | 310 helix | trans | -54.1 | -32.4 | -171 | -164.2 | 165.2 | 0 | 0 | 0 | 114.4 | L113 D114 K118 A119 A152 A153 L167 M171 | L113-I116 HydrophobicContact CB-CD1 4.34Å; L113-I116 HydrophobicContact CD1-CD1 4.1Å; D114-I116 VanDerWaalsContact C-N 3.29Å; D114-I116 PolarHBondContact O-N 2.88Å; I116-K118 PolarHBondContact O-N 3.09Å; I116-A119 WeakPolarHBondContact O-CB 3.08Å; I116-A119 PolarHBondContact O-N 3.12Å; I116-A152 HydrophobicContact CB-CB 4.35Å; I116-A152 HydrophobicContact CD1-CB 3.63Å; I116-A152 HydrophobicContact CG2-CB 4.09Å; I116-A153 PolarHBondContact N-O 3.46Å; I116-L167 HydrophobicContact CD1-CD2 3.84Å; I116-L167 HydrophobicContact CG1-CD2 4.09Å; I116-M171 HydrophobicContact CD1-CE 3.86Å |
| 117 | W | 90.9 | Very high | 90.4 | Very high | 18 Ų | 18 | 26.4 Ų | 26.4 | 7% | 0.068 | 15% | 0.154 | C | C | . | . | G | 310 helix | trans | -74.3 | -12.6 | -179 | -51.2 | 130.6 | 0 | 0 | 0 | 114 | F43 E115 A119 S154 E156 P158 L164 L167 Y168 | F43-W117 HydrophobicContact CD2-CZ2 4.14Å; F43-W117 AromaticContact CE2-CE2 3.83Å; F43-W117 AromaticContact CE2-CZ2 3.84Å; F43-W117 HydrophobicContact CE2-CZ2 3.84Å; F43-W117 AromaticContact CE2-NE1 3.35Å; F43-W117 VanDerWaalsContact CE2-NE1 3.35Å; F43-W117 HydrophobicContact CZ-CZ2 4.25Å; F43-W117 AromaticContact CZ-NE1 3.37Å; E115-W117 PolarHBondContact O-N 3.41Å; W117-A119 VanDerWaalsContact C-N 3.32Å; W117-S154 VanDerWaalsContact CD1-CB 3.47Å; W117-E156 PolarHBondContact NE1-O 2.82Å; W117-P158 HydrophobicContact CD2-CB 3.98Å; W117-P158 HydrophobicContact CD2-CG 4.5Å; W117-P158 HydrophobicContact CE3-CB 3.98Å; W117-P158 HydrophobicContact CH2-CG 4.46Å; W117-P158 HydrophobicContact CZ2-CG 4.27Å; W117-P158 HydrophobicContact CZ3-CB 4.27Å; W117-L164 HydrophobicContact CB-CD1 4.47Å; W117-L164 HydrophobicContact CE3-CB 3.94Å; W117-L164 HydrophobicContact CE3-CD1 4.1Å; W117-L164 HydrophobicContact CE3-CD2 4.13Å; W117-L164 HydrophobicContact CE3-CG 4.29Å; W117-L164 HydrophobicContact CZ3-CB 3.97Å; W117-L167 HydrophobicContact CZ3-CB 4.26Å; W117-L167 HydrophobicContact CZ3-CD2 4.01Å; W117-L167 HydrophobicContact CZ3-CG 4.25Å; W117-Y168 AromaticContact CH2-CD2 3.78Å; W117-Y168 HydrophobicContact CH2-CD2 3.78Å; W117-Y168 HydrophobicContact CH2-CG 4.09Å; W117-Y168 AromaticContact CZ2-CD2 3.51Å; W117-Y168 HydrophobicContact CZ2-CD2 3.51Å; W117-Y168 HydrophobicContact CZ2-CE2 4.25Å; W117-Y168 HydrophobicContact CZ2-CG 4.16Å |
| 118 | K | 88.8 | Confident | 90.1 | Very high | 88 Ų | 88 | 25.1 Ų | 25.1 | 38% | 0.383 | 15% | 0.148 | S | C | . | . | G | 310 helix | trans | -84.7 | -6.9 | 174.9 | -60.7 | -176.7 | -176.2 | 162.9 | 0 | 112.8 | T74 R75 E115 I116 E156 | T74-K118 CarbonylContact C-O 3.48Å; R75-K118 WeakPolarHBondContact CA-O 3.48Å; R75-K118 PolarHBondContact N-O 3.48Å; E115-K118 HydrophobicContact CB-CD 4.03Å; E115-K118 HydrophobicContact CB-CG 4.35Å; E115-K118 VanDerWaalsContact CD-NZ 3.26Å; E115-K118 HydrophobicContact CG-CD 4.4Å; E115-K118 WeakPolarHBondContact O-CB 3.36Å; E115-K118 PolarHBondContact O-N 3.22Å; E115-K118 IonicContact OE1-NZ 2.84Å; E115-K118 PolarHBondContact OE1-NZ 3.19Å; E115-K118 IonicContact OE2-NZ 3.21Å; I116-K118 PolarHBondContact O-N 3.09Å; K118-E156 WeakPolarHBondContact CE-OE1 3.45Å |
| 119 | A | 88.3 | Confident | 89.6 | Confident | 9 Ų | 9 | 28 Ų | 28 | 7% | 0.074 | 17% | 0.166 | C | C | . | . | S | Bend | trans | -69 | 147.5 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | M73 I116 W117 L124 | M73-A119 HydrophobicContact CB-CB 4.13Å; M73-A119 HydrophobicContact CG-CB 4.37Å; M73-A119 HydrophobicContact SD-CB 4.18Å; I116-A119 WeakPolarHBondContact O-CB 3.08Å; I116-A119 PolarHBondContact O-N 3.12Å; W117-A119 VanDerWaalsContact C-N 3.32Å; A119-L124 HydrophobicContact CB-CD1 4.44Å; A119-L124 HydrophobicContact CB-CD2 4.07Å; A119-L124 HydrophobicContact CB-CG 4.05Å; A119-L124 VanDerWaalsContact O-CD1 3.28Å; A119-L124 WeakPolarHBondContact O-CD1 3.17Å |
| 120 | G | 85.3 | Confident | 89.3 | Confident | 19 Ų | 19 | 27.5 Ų | 27.5 | 20% | 0.196 | 16% | 0.164 | C | C | . | . | trans | -70.5 | 153.5 | 173.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | A122 I123 L124 | G120-A122 PolarHBondContact O-N 2.83Å; G120-I123 PolarHBondContact O-N 2.86Å; G120-I123 VanDerWaalsContact O-N 3.16Å; G120-L124 PolarHBondContact O-N 3.07Å | ||
| 121 | P | 83.5 | Confident | 88.9 | Confident | 83 Ų | 83 | 27.9 Ų | 27.9 | 54% | 0.539 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -53.3 | -31.6 | -178 | -28.9 | 35 | 0 | 0 | 0 | 115.5 | L124 N125 | P121-L124 PolarHBondContact O-N 3.06Å; P121-N125 PolarHBondContact O-N 3.22Å; P121-N125 PolarHBondContact O-ND2 3.4Å |
| 122 | A | 83.2 | Confident | 88.3 | Confident | 63 Ų | 63 | 30.4 Ų | 30.4 | 52% | 0.521 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -63.1 | -42.8 | -179.7 | 0 | 0 | 0 | 0 | 0 | 113 | G120 T126 | G120-A122 PolarHBondContact O-N 2.83Å; A122-T126 PolarHBondContact O-OG1 2.9Å |
| 123 | I | 87.5 | Confident | 87.8 | Confident | 1 Ų | 1 | 35.6 Ų | 35.6 | 1% | 0.005 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -68.9 | -45.7 | 175.6 | -66.2 | 169.8 | 0 | 0 | 0 | 109.7 | M73 S77 P79 G120 N125 T126 L127 | M73-I123 HydrophobicContact CE-CG2 4.48Å; M73-I123 HydrophobicContact SD-CG2 4.38Å; S77-I123 VanDerWaalsContact CB-CD1 3.42Å; S77-I123 WeakPolarHBondContact O-CD1 3.48Å; P79-I123 HydrophobicContact CG-CG1 4.11Å; G120-I123 PolarHBondContact O-N 2.86Å; G120-I123 VanDerWaalsContact O-N 3.16Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.11Å; I123-T126 PolarHBondContact O-N 3.38Å; I123-L127 HydrophobicContact CG2-CD1 3.6Å; I123-L127 HydrophobicContact CG2-CG 3.85Å; I123-L127 WeakPolarHBondContact O-CG 3.42Å; I123-L127 PolarHBondContact O-N 3.29Å |
| 124 | L | 86.1 | Confident | 87.6 | Confident | 7 Ų | 7 | 37.8 Ų | 37.8 | 4% | 0.037 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -58.3 | -43.4 | -174.9 | -67.2 | 160.4 | 0 | 0 | 0 | 111.9 | A119 G120 P121 T126 L127 L128 L164 L167 | A119-L124 HydrophobicContact CB-CD1 4.44Å; A119-L124 HydrophobicContact CB-CD2 4.07Å; A119-L124 HydrophobicContact CB-CG 4.05Å; A119-L124 VanDerWaalsContact O-CD1 3.28Å; A119-L124 WeakPolarHBondContact O-CD1 3.17Å; G120-L124 PolarHBondContact O-N 3.07Å; P121-L124 PolarHBondContact O-N 3.06Å; L124-T126 VanDerWaalsContact C-N 3.32Å; L124-T126 PolarHBondContact O-N 2.9Å; L124-L127 PolarHBondContact O-N 3.45Å; L124-L128 WeakPolarHBondContact O-CB 3.42Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 2.95Å; L124-L164 HydrophobicContact CD1-CD2 3.19Å; L124-L164 HydrophobicContact CD2-CD2 3.81Å; L124-L164 HydrophobicContact CG-CD2 4.07Å; L124-L167 HydrophobicContact CD2-CD2 3.41Å; L124-L167 VanDerWaalsContact CD2-CD2 3.41Å |
| 125 | N | 83.4 | Confident | 87.5 | Confident | 88 Ų | 88 | 40.1 Ų | 40.1 | 47% | 0.471 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -63.2 | -37.5 | 175.3 | -73.4 | -30.8 | 0 | 0 | 0 | 112.9 | P121 I123 L128 T129 | P121-N125 PolarHBondContact O-N 3.22Å; P121-N125 PolarHBondContact O-ND2 3.4Å; I123-N125 VanDerWaalsContact C-N 3.32Å; I123-N125 PolarHBondContact O-N 3.11Å; N125-L128 WeakPolarHBondContact O-CB 3.38Å; N125-L128 PolarHBondContact O-N 3.12Å; N125-T129 PolarHBondContact O-N 2.98Å; N125-T129 PolarHBondContact O-OG1 3.16Å |
| 126 | T | 84.8 | Confident | 87.3 | Confident | 48 Ų | 48 | 39.8 Ų | 39.8 | 29% | 0.294 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -72.2 | -40.1 | 178.2 | -48 | 0 | 0 | 0 | 0 | 110.9 | F83 A122 I123 L124 L128 T129 A130 | F83-T126 HydrophobicContact CD1-CG2 4.4Å; F83-T126 HydrophobicContact CD2-CG2 4Å; F83-T126 HydrophobicContact CE1-CG2 3.92Å; F83-T126 HydrophobicContact CE2-CG2 3.46Å; F83-T126 VanDerWaalsContact CE2-CG2 3.46Å; F83-T126 HydrophobicContact CG-CG2 4.45Å; F83-T126 HydrophobicContact CZ-CG2 3.42Å; F83-T126 VanDerWaalsContact CZ-CG2 3.42Å; A122-T126 PolarHBondContact O-OG1 2.9Å; I123-T126 PolarHBondContact O-N 3.38Å; L124-T126 VanDerWaalsContact C-N 3.32Å; L124-T126 PolarHBondContact O-N 2.9Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 PolarHBondContact O-N 3.32Å; T126-T129 PolarHBondContact O-N 3.02Å; T126-A130 PolarHBondContact O-N 3.37Å |
| 127 | L | 89.4 | Confident | 87.1 | Confident | 2 Ų | 2 | 49 Ų | 49 | 1% | 0.01 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -61.6 | -39.9 | 172 | -73.3 | 175.6 | 0 | 0 | 0 | 111.6 | M73 V82 F83 L105 L113 I123 L124 T129 A130 I131 | M73-L127 HydrophobicContact CE-CD1 4.35Å; V82-L127 HydrophobicContact CG1-CD2 4.33Å; F83-L127 HydrophobicContact CE2-CD2 4.45Å; F83-L127 HydrophobicContact CZ-CD2 3.89Å; F83-L127 HydrophobicContact CZ-CG 4.28Å; L105-L127 HydrophobicContact CD1-CD2 3.66Å; L113-L127 HydrophobicContact CD1-CD1 3.8Å; L113-L127 HydrophobicContact CD1-CD2 3.85Å; I123-L127 HydrophobicContact CG2-CD1 3.6Å; I123-L127 HydrophobicContact CG2-CG 3.85Å; I123-L127 WeakPolarHBondContact O-CG 3.42Å; I123-L127 PolarHBondContact O-N 3.29Å; L124-L127 PolarHBondContact O-N 3.45Å; L127-T129 VanDerWaalsContact C-N 3.31Å; L127-T129 PolarHBondContact O-N 3.41Å; L127-A130 PolarHBondContact O-N 3Å; L127-I131 HydrophobicContact CB-CD1 4.38Å; L127-I131 WeakPolarHBondContact O-CB 3.38Å; L127-I131 WeakPolarHBondContact O-CD1 3.34Å; L127-I131 WeakPolarHBondContact O-CG1 3.48Å; L127-I131 PolarHBondContact O-N 3.2Å |
| 128 | L | 86.5 | Confident | 86.9 | Confident | 21 Ų | 21 | 48.6 Ų | 48.6 | 11% | 0.11 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -57.4 | -43.6 | 175.9 | -79.9 | 172.4 | 0 | 0 | 0 | 112 | L124 N125 T126 N132 A166 L167 R170 | L124-L128 WeakPolarHBondContact O-CB 3.42Å; L124-L128 VanDerWaalsContact O-CG 3.28Å; L124-L128 WeakPolarHBondContact O-CG 3.44Å; L124-L128 PolarHBondContact O-N 2.95Å; N125-L128 WeakPolarHBondContact O-CB 3.38Å; N125-L128 PolarHBondContact O-N 3.12Å; T126-L128 VanDerWaalsContact C-N 3.33Å; T126-L128 PolarHBondContact O-N 3.32Å; L128-N132 WeakPolarHBondContact O-CB 3.46Å; L128-N132 PolarHBondContact O-N 3.49Å; L128-N132 VanDerWaalsContact O-N 3.11Å; L128-N132 PolarHBondContact O-ND2 2.91Å; L128-A166 HydrophobicContact CD1-CB 4.36Å; L128-A166 HydrophobicContact CD2-CB 4.21Å; L128-L167 HydrophobicContact CD2-CB 3.86Å; L128-L167 HydrophobicContact CD2-CD1 3.92Å; L128-L167 HydrophobicContact CG-CB 4.43Å; L128-L167 HydrophobicContact CG-CD1 4.35Å; L128-R170 VanDerWaalsContact CD2-CD 3.43Å |
| 129 | T | 85.3 | Confident | 86.6 | Confident | 63 Ų | 63 | 46.1 Ų | 46.1 | 39% | 0.387 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -65.1 | -48.3 | 175.4 | -53.1 | 0 | 0 | 0 | 0 | 110.9 | N125 T126 L127 I131 N132 E133 | N125-T129 PolarHBondContact O-N 2.98Å; N125-T129 PolarHBondContact O-OG1 3.16Å; T126-T129 PolarHBondContact O-N 3.02Å; L127-T129 VanDerWaalsContact C-N 3.31Å; L127-T129 PolarHBondContact O-N 3.41Å; T129-I131 VanDerWaalsContact C-N 3.34Å; T129-I131 PolarHBondContact O-N 3.48Å; T129-N132 PolarHBondContact O-N 2.98Å; T129-E133 PolarHBondContact O-N 3.36Å |
| 130 | A | 88.1 | Confident | 86.3 | Confident | 2 Ų | 2 | 50.4 Ų | 50.4 | 2% | 0.017 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -58.7 | -41.3 | 179 | 0 | 0 | 0 | 0 | 0 | 113.1 | F83 L105 T126 L127 R134 I145 | F83-A130 HydrophobicContact CE1-CB 4.22Å; L105-A130 HydrophobicContact CD2-CB 4.49Å; T126-A130 PolarHBondContact O-N 3.37Å; L127-A130 PolarHBondContact O-N 3Å; A130-R134 VanDerWaalsContact O-CA 3.24Å; A130-R134 WeakPolarHBondContact O-CA 3.33Å; A130-R134 PolarHBondContact O-N 2.91Å; A130-I145 HydrophobicContact CB-CD1 3.45Å; A130-I145 VanDerWaalsContact CB-CD1 3.45Å |
| 131 | I | 87.8 | Confident | 86.4 | Confident | 11 Ų | 11 | 55 Ų | 55 | 6% | 0.056 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -72.6 | -38.7 | -180 | -67.3 | 162.9 | 0 | 0 | 0 | 111.6 | L127 T129 M147 L150 L167 R170 M171 | L127-I131 HydrophobicContact CB-CD1 4.38Å; L127-I131 WeakPolarHBondContact O-CB 3.38Å; L127-I131 WeakPolarHBondContact O-CD1 3.34Å; L127-I131 WeakPolarHBondContact O-CG1 3.48Å; L127-I131 PolarHBondContact O-N 3.2Å; T129-I131 VanDerWaalsContact C-N 3.34Å; T129-I131 PolarHBondContact O-N 3.48Å; I131-M147 HydrophobicContact CG1-CE 4.16Å; I131-L150 HydrophobicContact CD1-CD2 3.33Å; I131-L150 HydrophobicContact CG1-CD2 3.52Å; I131-L167 HydrophobicContact CD1-CD1 3.35Å; I131-R170 HydrophobicContact CG2-CB 3.98Å; I131-M171 HydrophobicContact CD1-CE 4.18Å |
| 132 | N | 84.1 | Confident | 86.7 | Confident | 53 Ų | 53 | 54.8 Ų | 54.8 | 28% | 0.283 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -77.3 | -55.4 | -177 | -72.6 | -31 | 0 | 0 | 0 | 113.3 | L128 T129 R134 R170 R251 | L128-N132 WeakPolarHBondContact O-CB 3.46Å; L128-N132 PolarHBondContact O-N 3.49Å; L128-N132 VanDerWaalsContact O-N 3.11Å; L128-N132 PolarHBondContact O-ND2 2.91Å; T129-N132 PolarHBondContact O-N 2.98Å; N132-R134 VanDerWaalsContact C-N 3.34Å; N132-R170 PolarHBondContact ND2-NE 3.42Å; N132-R170 PolarHBondContact ND2-NH2 3.1Å; N132-R170 WeakPolarHBondContact OD1-CD 3.41Å; N132-R170 PolarHBondContact OD1-NE 2.82Å; N132-R251 VanDerWaalsContact OD1-CZ 3.26Å; N132-R251 PolarHBondContact OD1-NH1 3.5Å; N132-R251 PolarHBondContact OD1-NH2 3.47Å |
| 133 | E | 86.3 | Confident | 87 | Confident | 115 Ų | 115 | 55 Ų | 55 | 54% | 0.537 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -89.9 | -12.6 | -168.4 | -62.6 | 179.5 | -170.6 | 0 | 0 | 110.5 | T129 Q135 | T129-E133 PolarHBondContact O-N 3.36Å; E133-Q135 HydrophobicContact CB-CB 3.99Å; E133-Q135 HydrophobicContact CB-CG 4.44Å; E133-Q135 WeakPolarHBondContact O-CG 3.32Å; E133-Q135 PolarHBondContact O-N 3.34Å |
| 134 | R | 91.3 | Very high | 87.3 | Confident | 45 Ų | 45 | 62.5 Ų | 62.5 | 17% | 0.17 | 32% | 0.324 | C | S | . | . | S | Bend | trans | 50.4 | 36.1 | -169.1 | -57.6 | -69.6 | -173.3 | 166.2 | -5.2 | 110.2 | G39 A130 N132 K144 I145 M147 | G39-R134 PolarHBondContact O-NH2 3.1Å; A130-R134 VanDerWaalsContact O-CA 3.24Å; A130-R134 WeakPolarHBondContact O-CA 3.33Å; A130-R134 PolarHBondContact O-N 2.91Å; N132-R134 VanDerWaalsContact C-N 3.34Å; R134-K144 WeakPolarHBondContact O-CA 3.33Å; R134-I145 PolarHBondContact O-N 3.28Å; R134-M147 VanDerWaalsContact NH1-CB 3.33Å; R134-M147 PolarHBondContact NH1-O 2.77Å |
| 135 | Q | 91.5 | Very high | 87.6 | Confident | 87 Ų | 87 | 62.3 Ų | 62.3 | 41% | 0.407 | 32% | 0.323 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.2 | 145.4 | -175.9 | -76.3 | 178.2 | 12.5 | 0 | 0 | 110.1 | E133 V142 E143 | E133-Q135 HydrophobicContact CB-CB 3.99Å; E133-Q135 HydrophobicContact CB-CG 4.44Å; E133-Q135 WeakPolarHBondContact O-CG 3.32Å; E133-Q135 PolarHBondContact O-N 3.34Å; Q135-V142 HydrophobicContact CB-CG1 3.82Å; Q135-V142 HydrophobicContact CG-CG1 3.95Å; Q135-E143 CarbonylContact C-O 3.57Å; Q135-E143 VanDerWaalsContact CA-O 3.25Å; Q135-E143 WeakPolarHBondContact CA-O 3.47Å |
| 136 | F | 89.9 | Confident | 88.1 | Confident | 13 Ų | 13 | 60.2 Ų | 60.2 | 6% | 0.057 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.4 | 126.7 | 175.8 | 176.3 | -115.1 | 0 | 0 | 0 | 109 | F83 T101 P106 N138 V142 E143 I145 | F83-F136 HydrophobicContact CB-CE2 3.71Å; F83-F136 HydrophobicContact CB-CZ 3.74Å; F83-F136 AromaticContact CD1-CD2 3.59Å; F83-F136 HydrophobicContact CD1-CD2 3.59Å; F83-F136 AromaticContact CD1-CE2 3.38Å; F83-F136 HydrophobicContact CD1-CE2 3.38Å; F83-F136 HydrophobicContact CD1-CZ 4.16Å; F83-F136 HydrophobicContact CE1-CD2 4.07Å; F83-F136 HydrophobicContact CE1-CE2 4.19Å; F83-F136 HydrophobicContact CG-CD2 4.38Å; F83-F136 AromaticContact CG-CE2 3.72Å; F83-F136 HydrophobicContact CG-CE2 3.72Å; F83-F136 HydrophobicContact CG-CZ 4.27Å; T101-F136 HydrophobicContact CG2-CD1 4.31Å; T101-F136 HydrophobicContact CG2-CE1 3.88Å; P106-F136 HydrophobicContact CB-CB 4.41Å; P106-F136 HydrophobicContact CB-CD1 3.97Å; P106-F136 HydrophobicContact CB-CG 4.25Å; P106-F136 HydrophobicContact CG-CD1 3.81Å; P106-F136 HydrophobicContact CG-CD2 4.4Å; P106-F136 HydrophobicContact CG-CE1 3.98Å; P106-F136 HydrophobicContact CG-CG 4.01Å; P106-F136 HydrophobicContact CG-CZ 4.34Å; F136-N138 HydrophobicContact CD1-CB 4.07Å; F136-N138 HydrophobicContact CE1-CB 3.84Å; F136-N138 PolarHBondContact O-N 2.97Å; F136-V142 WeakPolarHBondContact O-CA 3.31Å; F136-E143 PolarHBondContact N-O 3.34Å; F136-E143 PolarHBondContact O-N 3.33Å; F136-I145 HydrophobicContact CB-CD1 4.01Å; F136-I145 HydrophobicContact CB-CG1 3.96Å |
| 137 | R | 86.8 | Confident | 88.6 | Confident | 194 Ų | 194 | 58.3 Ų | 58.3 | 73% | 0.732 | 30% | 0.303 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -88.1 | 106.2 | 175.7 | -175.9 | 180 | -71.6 | -177.2 | -2 | 109.4 | G139 H141 V142 | R137-G139 WeakPolarHBondContact CG-O 3.43Å; R137-H141 CarbonylContact C-O 3.55Å; R137-H141 WeakPolarHBondContact CA-O 3.34Å; R137-V142 HydrophobicContact CB-CG2 4.5Å; R137-V142 HydrophobicContact CG-CG2 4.4Å |
| 138 | N | 86.8 | Confident | 88.8 | Confident | 9 Ų | 9 | 58.9 Ų | 58.9 | 5% | 0.048 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -99.7 | 90.5 | 175.3 | -164.1 | 2.8 | 0 | 0 | 0 | 110 | R99 F136 A140 H141 E143 | R99-N138 PolarHBondContact N-OD1 3.49Å; R99-N138 PolarHBondContact O-ND2 3.09Å; R99-N138 VanDerWaalsContact O-ND2 3.11Å; F136-N138 HydrophobicContact CD1-CB 4.07Å; F136-N138 HydrophobicContact CE1-CB 3.84Å; F136-N138 PolarHBondContact O-N 2.97Å; N138-A140 PolarHBondContact O-N 3.48Å; N138-A140 VanDerWaalsContact O-N 3.11Å; N138-H141 PolarHBondContact N-O 3Å; N138-H141 PolarHBondContact O-N 2.81Å; N138-E143 WeakPolarHBondContact CB-OE1 3.2Å; N138-E143 PolarHBondContact ND2-OE1 3.31Å |
| 139 | G | 83.3 | Confident | 89.3 | Confident | 36 Ų | 36 | 57.9 Ų | 57.9 | 37% | 0.371 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 61.9 | -113.9 | -174.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | Y97 R137 | Y97-G139 WeakPolarHBondContact O-CA 3.26Å; Y97-G139 PolarHBondContact O-N 3.47Å; R137-G139 WeakPolarHBondContact CG-O 3.43Å |
| 140 | A | 81 | Confident | 89.8 | Confident | 98 Ų | 98 | 54.9 Ų | 54.9 | 81% | 0.81 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.1 | -12.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | N138 | N138-A140 PolarHBondContact O-N 3.48Å; N138-A140 VanDerWaalsContact O-N 3.11Å |
| 141 | H | 88 | Confident | 90.2 | Very high | 117 Ų | 117 | 54.8 Ų | 54.8 | 54% | 0.542 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 147.2 | -177.1 | -61.9 | -73.9 | 0 | 0 | 0 | 111.1 | R137 N138 | R137-H141 CarbonylContact C-O 3.55Å; R137-H141 WeakPolarHBondContact CA-O 3.34Å; N138-H141 PolarHBondContact N-O 3Å; N138-H141 PolarHBondContact O-N 2.81Å |
| 142 | V | 89.2 | Confident | 90.5 | Very high | 77 Ų | 77 | 54.3 Ų | 54.3 | 47% | 0.467 | 28% | 0.278 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 117.9 | 171.2 | -180 | 0 | 0 | 0 | 0 | 107.5 | Q135 F136 R137 | Q135-V142 HydrophobicContact CB-CG1 3.82Å; Q135-V142 HydrophobicContact CG-CG1 3.95Å; F136-V142 WeakPolarHBondContact O-CA 3.31Å; R137-V142 HydrophobicContact CB-CG2 4.5Å; R137-V142 HydrophobicContact CG-CG2 4.4Å |
| 143 | E | 90.5 | Very high | 91.1 | Very high | 68 Ų | 68 | 51.8 Ų | 51.8 | 32% | 0.318 | 26% | 0.264 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 145.2 | -178.1 | -65.5 | 172.5 | -151.5 | 0 | 0 | 109.8 | Q135 F136 N138 | Q135-E143 CarbonylContact C-O 3.57Å; Q135-E143 VanDerWaalsContact CA-O 3.25Å; Q135-E143 WeakPolarHBondContact CA-O 3.47Å; F136-E143 PolarHBondContact N-O 3.34Å; F136-E143 PolarHBondContact O-N 3.33Å; N138-E143 WeakPolarHBondContact CB-OE1 3.2Å; N138-E143 PolarHBondContact ND2-OE1 3.31Å |
| 144 | K | 92.3 | Very high | 91.4 | Very high | 158 Ų | 158 | 46.3 Ų | 46.3 | 69% | 0.687 | 24% | 0.238 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -86.1 | 128.6 | 176.1 | -174.6 | -175.2 | 176.6 | -169.1 | 0 | 109.4 | R134 | R134-K144 WeakPolarHBondContact O-CA 3.33Å |
| 145 | I | 93.7 | Very high | 91.4 | Very high | 3 Ų | 3 | 47 Ų | 47 | 2% | 0.015 | 25% | 0.246 | C | C | . | . | trans | -82.8 | 122.1 | 176.1 | -51.4 | 177.1 | 0 | 0 | 0 | 108.2 | L105 A130 R134 F136 M147 | L105-I145 HydrophobicContact CD2-CD1 4.31Å; L105-I145 HydrophobicContact CD2-CG2 4.47Å; A130-I145 HydrophobicContact CB-CD1 3.45Å; A130-I145 VanDerWaalsContact CB-CD1 3.45Å; R134-I145 PolarHBondContact O-N 3.28Å; F136-I145 HydrophobicContact CB-CD1 4.01Å; F136-I145 HydrophobicContact CB-CG1 3.96Å; I145-M147 HydrophobicContact CG2-CB 3.65Å; I145-M147 PolarHBondContact O-N 3.1Å; I145-M147 VanDerWaalsContact O-N 3.11Å | ||
| 146 | P | 93.5 | Very high | 91.4 | Very high | 44 Ų | 44 | 47.2 Ų | 47.2 | 29% | 0.286 | 25% | 0.247 | S | C | . | . | trans | -76.7 | 9.2 | -178.3 | 34.3 | -35.9 | 0 | 0 | 0 | 113.5 | P106 E109 R148 | P106-P146 WeakPolarHBondContact O-CD 3.47Å; E109-P146 HydrophobicContact CG-CB 4.18Å; E109-P146 HydrophobicContact CG-CG 4.41Å; P146-R148 PolarHBondContact O-N 2.77Å | ||
| 147 | M | 94.7 | Very high | 91.3 | Very high | 9 Ų | 9 | 49.3 Ų | 49.3 | 4% | 0.044 | 26% | 0.258 | C | S | . | . | trans | -52.4 | 120.5 | -176.2 | -174.9 | 174.5 | 64.6 | 0 | 0 | 111.9 | A108 E109 V111 I131 R134 I145 L150 | A108-M147 WeakPolarHBondContact O-CA 3.48Å; A108-M147 PolarHBondContact O-N 3.44Å; E109-M147 CarbonylContact O-C 3.55Å; V111-M147 HydrophobicContact CB-SD 4.06Å; V111-M147 HydrophobicContact CG2-CG 3.97Å; V111-M147 HydrophobicContact CG2-SD 3.72Å; I131-M147 HydrophobicContact CG1-CE 4.16Å; R134-M147 VanDerWaalsContact NH1-CB 3.33Å; R134-M147 PolarHBondContact NH1-O 2.77Å; I145-M147 HydrophobicContact CG2-CB 3.65Å; I145-M147 PolarHBondContact O-N 3.1Å; I145-M147 VanDerWaalsContact O-N 3.11Å; M147-L150 HydrophobicContact CE-CB 4.5Å; M147-L150 HydrophobicContact SD-CB 3.89Å | ||
| 148 | R | 94.7 | Very high | 91.3 | Very high | 13 Ų | 13 | 40.5 Ų | 40.5 | 5% | 0.049 | 23% | 0.226 | C | C | . | . | S | Bend | trans | -98 | -38.9 | 175.1 | -57.1 | -176.8 | -178.1 | 171.5 | 1.6 | 111.1 | G39 F63 E109 P146 D209 Y212 | G39-R148 WeakPolarHBondContact CA-O 3.39Å; F63-R148 HydrophobicContact CZ-CB 4.36Å; E109-R148 HydrophobicContact CB-CG 4.31Å; E109-R148 PolarHBondContact O-N 3.46Å; P146-R148 PolarHBondContact O-N 2.77Å; R148-D209 IonicContact CZ-OD1 3.5Å; R148-D209 IonicContact NH1-OD1 2.72Å; R148-D209 PolarHBondContact NH1-OD1 2.99Å; R148-D209 VanDerWaalsContact NH2-CG 3.29Å; R148-D209 IonicContact NH2-OD1 3.42Å; R148-D209 PolarHBondContact NH2-OD1 3.48Å; R148-Y212 HydrophobicContact CB-CE2 4.35Å; R148-Y212 HydrophobicContact CG-CE1 4.01Å; R148-Y212 HydrophobicContact CG-CE2 4.17Å |
| 149 | L | 95.9 | Very high | 91 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 26% | 0.259 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135 | 133.1 | 179 | -177.5 | 68.2 | 0 | 0 | 0 | 110.7 | A35 A36 V42 L59 E109 I110 V111 V151 | A35-L149 HydrophobicContact CB-CD1 3.83Å; A36-L149 HydrophobicContact CB-CB 3.84Å; A36-L149 HydrophobicContact CB-CD1 4.23Å; A36-L149 HydrophobicContact CB-CD2 4.11Å; A36-L149 HydrophobicContact CB-CG 4.28Å; V42-L149 HydrophobicContact CG2-CD1 3.81Å; L59-L149 HydrophobicContact CB-CD2 4.08Å; L59-L149 HydrophobicContact CD1-CD2 3.38Å; L59-L149 HydrophobicContact CG-CD2 4.3Å; E109-L149 PolarHBondContact O-N 3.33Å; I110-L149 HydrophobicContact CD1-CB 3.67Å; I110-L149 HydrophobicContact CD1-CD2 4.45Å; I110-L149 HydrophobicContact CG2-CD2 4.43Å; V111-L149 PolarHBondContact N-O 2.89Å; L149-V151 HydrophobicContact CD1-CG2 4.2Å; L149-V151 HydrophobicContact CD2-CG2 3.49Å; L149-V151 VanDerWaalsContact CD2-CG2 3.49Å; L149-V151 HydrophobicContact CG-CG2 3.7Å |
| 150 | L | 95.9 | Very high | 90.4 | Very high | 1 Ų | 1 | 49.3 Ų | 49.3 | 1% | 0.005 | 27% | 0.27 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.4 | 122.8 | 161.5 | 171.3 | 63.1 | 0 | 0 | 0 | 108.2 | S41 V42 V111 L113 I131 M147 M171 | S41-L150 CarbonylContact C-O 3.6Å; S41-L150 WeakPolarHBondContact CA-O 3.33Å; V42-L150 PolarHBondContact N-O 3.38Å; V111-L150 HydrophobicContact CB-CD1 3.81Å; V111-L150 HydrophobicContact CG1-CD1 3.46Å; V111-L150 VanDerWaalsContact CG1-CD1 3.46Å; V111-L150 CarbonylContact O-C 3.09Å; V111-L150 WeakPolarHBondContact O-CA 3.34Å; L113-L150 HydrophobicContact CD1-CD1 3.85Å; L113-L150 HydrophobicContact CG-CD1 3.88Å; I131-L150 HydrophobicContact CD1-CD2 3.33Å; I131-L150 HydrophobicContact CG1-CD2 3.52Å; M147-L150 HydrophobicContact CE-CB 4.5Å; M147-L150 HydrophobicContact SD-CB 3.89Å; L150-M171 HydrophobicContact CD2-CE 3.81Å; L150-M171 HydrophobicContact CD2-SD 4.24Å |
| 151 | V | 96.6 | Very high | 89.5 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 27% | 0.272 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.2 | 108.4 | 171.2 | -177.1 | 0 | 0 | 0 | 0 | 108.1 | V42 L44 A56 V111 F112 L113 L149 | V42-V151 WeakPolarHBondContact O-CA 3.34Å; L44-V151 HydrophobicContact CD1-CG1 3.49Å; L44-V151 VanDerWaalsContact CD1-CG1 3.49Å; L44-V151 HydrophobicContact CG-CG1 3.75Å; A56-V151 HydrophobicContact CB-CB 4.25Å; A56-V151 HydrophobicContact CB-CG2 4.17Å; V111-V151 PolarHBondContact O-N 3.26Å; F112-V151 VanDerWaalsContact CA-O 3.32Å; F112-V151 WeakPolarHBondContact CA-O 3.41Å; F112-V151 HydrophobicContact CD2-CB 3.95Å; F112-V151 HydrophobicContact CD2-CG1 3.81Å; F112-V151 HydrophobicContact CE2-CG1 4.09Å; L113-V151 PolarHBondContact N-O 2.99Å; L149-V151 HydrophobicContact CD1-CG2 4.2Å; L149-V151 HydrophobicContact CD2-CG2 3.49Å; L149-V151 VanDerWaalsContact CD2-CG2 3.49Å; L149-V151 HydrophobicContact CG-CG2 3.7Å |
| 152 | A | 95.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 48 Ų | 48 | 0% | 0 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -93.9 | 129.3 | 171.4 | 0 | 0 | 0 | 0 | 0 | 109.3 | V42 F43 L44 L113 I116 M171 | V42-A152 PolarHBondContact O-N 2.89Å; F43-A152 CarbonylContact C-O 3.55Å; F43-A152 VanDerWaalsContact CA-O 3.28Å; F43-A152 WeakPolarHBondContact CA-O 3.3Å; F43-A152 HydrophobicContact CD2-CB 4.19Å; F43-A152 WeakPolarHBondContact CD2-O 3.42Å; L44-A152 PolarHBondContact N-O 3.18Å; L113-A152 CarbonylContact O-C 3.51Å; L113-A152 WeakPolarHBondContact O-CA 3.44Å; I116-A152 HydrophobicContact CB-CB 4.35Å; I116-A152 HydrophobicContact CD1-CB 3.63Å; I116-A152 HydrophobicContact CG2-CB 4.09Å; A152-M171 HydrophobicContact CB-CE 3.71Å; A152-M171 HydrophobicContact CB-SD 3.95Å |
| 153 | A | 95.3 | Very high | 87.7 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 26% | 0.258 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.9 | 147 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | L44 K52 F112 L113 D114 E115 I116 | L44-A153 HydrophobicContact CB-CB 4.43Å; L44-A153 WeakPolarHBondContact O-CA 3.12Å; K52-A153 HydrophobicContact CB-CB 4.27Å; K52-A153 HydrophobicContact CD-CB 3.98Å; F112-A153 HydrophobicContact CE2-CB 3.76Å; F112-A153 HydrophobicContact CZ-CB 3.8Å; L113-A153 PolarHBondContact O-N 3.42Å; D114-A153 CarbonylContact C-O 3.57Å; D114-A153 WeakPolarHBondContact OD1-CB 3.16Å; E115-A153 WeakPolarHBondContact CA-O 3.27Å; E115-A153 PolarHBondContact N-O 3.29Å; I116-A153 PolarHBondContact N-O 3.46Å |
| 154 | S | 93.7 | Very high | 87.1 | Confident | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -157.4 | 166 | 166.9 | -171.6 | 0 | 0 | 0 | 0 | 110.7 | L44 G46 K52 E115 W117 E156 | L44-S154 PolarHBondContact O-N 3.35Å; L44-S154 VanDerWaalsContact O-N 3.14Å; G46-S154 PolarHBondContact N-O 3.21Å; K52-S154 PolarHBondContact NZ-O 3.33Å; E115-S154 PolarHBondContact OE2-OG 2.97Å; E115-S154 VanDerWaalsContact OE2-OG 3.07Å; W117-S154 VanDerWaalsContact CD1-CB 3.47Å; S154-E156 PolarHBondContact OG-N 3.36Å; S154-E156 PolarHBondContact OG-O 3.27Å |
| 155 | N | 91.2 | Very high | 86.6 | Confident | 60 Ų | 60 | 41.3 Ų | 41.3 | 32% | 0.321 | 23% | 0.23 | S | C | . | . | S | Bend | trans | -95.4 | -9.1 | 170.6 | -56 | -42.6 | 0 | 0 | 0 | 112 | G46 K52 E115 | G46-N155 PolarHBondContact O-OD1 2.74Å; K52-N155 PolarHBondContact NZ-OD1 2.91Å; E115-N155 PolarHBondContact OE1-ND2 3.1Å; E115-N155 PolarHBondContact OE2-N 3.29Å |
| 156 | E | 90.5 | Very high | 86.1 | Confident | 92 Ų | 92 | 43 Ų | 43 | 43% | 0.43 | 25% | 0.245 | S | C | . | . | S | Bend | trans | -128.5 | 162.4 | -177.5 | 62.2 | -158.3 | 166.4 | 0 | 0 | 111.5 | W117 K118 S154 | W117-E156 PolarHBondContact NE1-O 2.82Å; K118-E156 WeakPolarHBondContact CE-OE1 3.45Å; S154-E156 PolarHBondContact OG-N 3.36Å; S154-E156 PolarHBondContact OG-O 3.27Å |
| 157 | L | 89.7 | Confident | 85.9 | Confident | 57 Ų | 57 | 41 Ų | 41 | 30% | 0.298 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -89.4 | 156.5 | 168.8 | -72.5 | 172.5 | 0 | 0 | 0 | 109 | F43 L45 D287 | F43-L157 HydrophobicContact CE1-CD2 4.05Å; L45-L157 HydrophobicContact CD2-CD2 4.01Å; L45-L157 HydrophobicContact CD2-CG 4.2Å; L157-D287 HydrophobicContact CD1-CB 3.81Å |
| 158 | P | 86.8 | Confident | 85.7 | Confident | 9 Ų | 9 | 40.6 Ų | 40.6 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | P | Polyproline II helix | trans | -61.3 | 148 | 175.2 | 27.4 | -34.7 | 0 | 0 | 0 | 111.2 | W117 L164 Y168 | W117-P158 HydrophobicContact CD2-CB 3.98Å; W117-P158 HydrophobicContact CD2-CG 4.5Å; W117-P158 HydrophobicContact CE3-CB 3.98Å; W117-P158 HydrophobicContact CH2-CG 4.46Å; W117-P158 HydrophobicContact CZ2-CG 4.27Å; W117-P158 HydrophobicContact CZ3-CB 4.27Å; P158-L164 HydrophobicContact CB-CB 3.73Å; P158-L164 HydrophobicContact CB-CD1 4.06Å; P158-Y168 HydrophobicContact CG-CD1 3.95Å; P158-Y168 HydrophobicContact CG-CD2 4.45Å; P158-Y168 HydrophobicContact CG-CG 3.9Å |
| 159 | E | 80 | Confident | 85.4 | Confident | 156 Ų | 156 | 41.6 Ų | 41.6 | 73% | 0.729 | 24% | 0.236 | S | C | * | . | P | Polyproline II helix | trans | -61.3 | 137.5 | 170.8 | -66.5 | -179.7 | 175 | 0 | 0 | 110.3 | S162 | E159-S162 VanDerWaalsContact O-CB 3.3Å; E159-S162 WeakPolarHBondContact O-CB 3.49Å; E159-S162 PolarHBondContact O-OG 3.05Å |
| 160 | A | 69.8 | Low | 85.2 | Confident | 74 Ų | 74 | 44 Ų | 44 | 61% | 0.612 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.7 | 147.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | S162 | A160-S162 PolarHBondContact O-N 2.84Å; A160-S162 VanDerWaalsContact O-N 3.16Å |
| 161 | D | 63.3 | Low | 85.1 | Confident | 158 Ų | 158 | 44 Ų | 44 | 85% | 0.845 | 25% | 0.245 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.5 | 18.3 | -179.4 | -63.6 | -41.5 | 0 | 0 | 0 | 114.8 | E165 | D161-E165 PolarHBondContact N-OE1 3.2Š|
| 162 | S | 70.8 | Confident | 85 | Confident | 29 Ų | 29 | 44.1 Ų | 44.1 | 20% | 0.203 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -92.6 | 159.6 | 177.7 | 72.9 | 0 | 0 | 0 | 0 | 112.3 | E159 A160 L164 E165 | E159-S162 VanDerWaalsContact O-CB 3.3Å; E159-S162 WeakPolarHBondContact O-CB 3.49Å; E159-S162 PolarHBondContact O-OG 3.05Å; A160-S162 PolarHBondContact O-N 2.84Å; A160-S162 VanDerWaalsContact O-N 3.16Å; S162-L164 PolarHBondContact O-N 2.96Å; S162-L164 VanDerWaalsContact OG-CB 3.24Å; S162-L164 WeakPolarHBondContact OG-CB 3.41Å; S162-L164 WeakPolarHBondContact OG-CG 3.48Å; S162-L164 PolarHBondContact OG-N 3Å; S162-E165 PolarHBondContact O-N 3.28Å; S162-E165 VanDerWaalsContact O-N 3.12Å |
| 163 | S | 68.4 | Low | 85.1 | Confident | 73 Ų | 73 | 44.1 Ų | 44.1 | 51% | 0.51 | 25% | 0.246 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.3 | -10.3 | 170.7 | 57.1 | 0 | 0 | 0 | 0 | 113.7 | E165 | S163-E165 VanDerWaalsContact C-N 3.35Š|
| 164 | L | 78.1 | Confident | 85.2 | Confident | 18 Ų | 18 | 44.6 Ų | 44.6 | 9% | 0.094 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -72.7 | -25 | 177.7 | -53.4 | 176.2 | 0 | 0 | 0 | 112.7 | W117 L124 P158 S162 A166 L167 Y168 | W117-L164 HydrophobicContact CB-CD1 4.47Å; W117-L164 HydrophobicContact CE3-CB 3.94Å; W117-L164 HydrophobicContact CE3-CD1 4.1Å; W117-L164 HydrophobicContact CE3-CD2 4.13Å; W117-L164 HydrophobicContact CE3-CG 4.29Å; W117-L164 HydrophobicContact CZ3-CB 3.97Å; L124-L164 HydrophobicContact CD1-CD2 3.19Å; L124-L164 HydrophobicContact CD2-CD2 3.81Å; L124-L164 HydrophobicContact CG-CD2 4.07Å; P158-L164 HydrophobicContact CB-CB 3.73Å; P158-L164 HydrophobicContact CB-CD1 4.06Å; S162-L164 PolarHBondContact O-N 2.96Å; S162-L164 VanDerWaalsContact OG-CB 3.24Å; S162-L164 WeakPolarHBondContact OG-CB 3.41Å; S162-L164 WeakPolarHBondContact OG-CG 3.48Å; S162-L164 PolarHBondContact OG-N 3Å; L164-A166 PolarHBondContact O-N 3.09Å; L164-L167 WeakPolarHBondContact O-CA 3.4Å; L164-L167 WeakPolarHBondContact O-CB 3.5Å; L164-L167 PolarHBondContact O-N 3.46Å; L164-Y168 PolarHBondContact O-N 3.3Å |
| 165 | E | 81.5 | Confident | 85.3 | Confident | 72 Ų | 72 | 44.8 Ų | 44.8 | 34% | 0.336 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.7 | -37.7 | -179.7 | -71.4 | -171.5 | 176.9 | 0 | 0 | 111.9 | D161 S162 S163 L167 Y168 D169 | D161-E165 PolarHBondContact N-OE1 3.2Å; S162-E165 PolarHBondContact O-N 3.28Å; S162-E165 VanDerWaalsContact O-N 3.12Å; S163-E165 VanDerWaalsContact C-N 3.35Å; E165-L167 VanDerWaalsContact C-N 3.28Å; E165-L167 PolarHBondContact O-N 3.17Å; E165-Y168 PolarHBondContact O-N 2.9Å; E165-D169 WeakPolarHBondContact O-CB 3.32Å; E165-D169 PolarHBondContact O-N 2.96Å |
| 166 | A | 83.5 | Confident | 85.4 | Confident | 38 Ų | 38 | 48.9 Ų | 48.9 | 31% | 0.314 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | L128 L164 R170 | L128-A166 HydrophobicContact CD1-CB 4.36Å; L128-A166 HydrophobicContact CD2-CB 4.21Å; L164-A166 PolarHBondContact O-N 3.09Å; A166-R170 WeakPolarHBondContact O-CD 3.49Å; A166-R170 VanDerWaalsContact O-CG 3.31Å; A166-R170 WeakPolarHBondContact O-CG 3.47Å; A166-R170 PolarHBondContact O-NH1 3.46Å |
| 167 | L | 87.5 | Confident | 85.4 | Confident | 1 Ų | 1 | 45.1 Ų | 45.1 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -70.9 | -40 | 178.3 | -176.5 | 64.1 | 0 | 0 | 0 | 110.8 | I116 W117 L124 L128 I131 L164 E165 R170 M171 | I116-L167 HydrophobicContact CD1-CD2 3.84Å; I116-L167 HydrophobicContact CG1-CD2 4.09Å; W117-L167 HydrophobicContact CZ3-CB 4.26Å; W117-L167 HydrophobicContact CZ3-CD2 4.01Å; W117-L167 HydrophobicContact CZ3-CG 4.25Å; L124-L167 HydrophobicContact CD2-CD2 3.41Å; L124-L167 VanDerWaalsContact CD2-CD2 3.41Å; L128-L167 HydrophobicContact CD2-CB 3.86Å; L128-L167 HydrophobicContact CD2-CD1 3.92Å; L128-L167 HydrophobicContact CG-CB 4.43Å; L128-L167 HydrophobicContact CG-CD1 4.35Å; I131-L167 HydrophobicContact CD1-CD1 3.35Å; L164-L167 WeakPolarHBondContact O-CA 3.4Å; L164-L167 WeakPolarHBondContact O-CB 3.5Å; L164-L167 PolarHBondContact O-N 3.46Å; E165-L167 VanDerWaalsContact C-N 3.28Å; E165-L167 PolarHBondContact O-N 3.17Å; L167-R170 WeakPolarHBondContact O-CB 3.08Å; L167-R170 PolarHBondContact O-N 3.13Å; L167-M171 HydrophobicContact CD1-CE 3.96Å; L167-M171 HydrophobicContact CG-CE 4.06Å; L167-M171 PolarHBondContact O-N 2.8Å |
| 168 | Y | 90.9 | Very high | 85.4 | Confident | 1 Ų | 1 | 44.9 Ų | 44.9 | 0% | 0.004 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -64.5 | -39.5 | 178.2 | -170.8 | -131 | 0 | 0 | 0 | 112.7 | F43 W117 P158 L164 E165 R170 M171 R174 R252 Y286 | F43-Y168 AromaticContact CD1-CE2 3.64Å; F43-Y168 HydrophobicContact CD1-CE2 3.64Å; F43-Y168 AromaticContact CE1-CE2 3.87Å; F43-Y168 HydrophobicContact CE1-CE2 3.87Å; F43-Y168 HydrophobicContact CG-CE2 4.14Å; W117-Y168 AromaticContact CH2-CD2 3.78Å; W117-Y168 HydrophobicContact CH2-CD2 3.78Å; W117-Y168 HydrophobicContact CH2-CG 4.09Å; W117-Y168 AromaticContact CZ2-CD2 3.51Å; W117-Y168 HydrophobicContact CZ2-CD2 3.51Å; W117-Y168 HydrophobicContact CZ2-CE2 4.25Å; W117-Y168 HydrophobicContact CZ2-CG 4.16Å; P158-Y168 HydrophobicContact CG-CD1 3.95Å; P158-Y168 HydrophobicContact CG-CD2 4.45Å; P158-Y168 HydrophobicContact CG-CG 3.9Å; L164-Y168 PolarHBondContact O-N 3.3Å; E165-Y168 PolarHBondContact O-N 2.9Å; Y168-R170 PolarHBondContact O-N 3.08Å; Y168-R170 VanDerWaalsContact O-N 3.15Å; Y168-M171 PolarHBondContact O-N 3.46Å; Y168-M171 VanDerWaalsContact O-N 3.13Å; Y168-R174 VanDerWaalsContact C-NH2 3.31Å; Y168-R174 VanDerWaalsContact CD1-NH2 3.29Å; Y168-R174 HydrophobicContact CE2-CG 4.28Å; Y168-R174 VanDerWaalsContact CZ-CZ 3.46Å; Y168-R174 PolarHBondContact O-NH2 3.3Å; Y168-R174 WeakPolarHBondContact OH-CD 3.35Å; Y168-R252 PolarHBondContact O-NH2 3.46Å; Y168-Y286 AromaticContact CD1-CD2 3.83Å; Y168-Y286 HydrophobicContact CD1-CD2 3.83Å; Y168-Y286 AromaticContact CD1-CE2 3.61Å; Y168-Y286 HydrophobicContact CD1-CE2 3.61Å; Y168-Y286 AromaticContact CE1-CD2 3.53Å; Y168-Y286 HydrophobicContact CE1-CD2 3.53Å; Y168-Y286 AromaticContact CE1-CE2 3.7Å; Y168-Y286 HydrophobicContact CE1-CE2 3.7Å; Y168-Y286 HydrophobicContact CE1-CG 4.14Å; Y168-Y286 WeakPolarHBondContact CE1-O 3.41Å; Y168-Y286 PolarHBondContact OH-O 3.48Å |
| 169 | D | 90.1 | Very high | 85.4 | Confident | 35 Ų | 35 | 50.8 Ų | 50.8 | 19% | 0.187 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -61.4 | -18.5 | 172.4 | -177 | 61.6 | 0 | 0 | 0 | 112.7 | E165 S249 R252 | E165-D169 WeakPolarHBondContact O-CB 3.32Å; E165-D169 PolarHBondContact O-N 2.96Å; D169-S249 PolarHBondContact OD1-OG 3.38Å; D169-S249 PolarHBondContact OD2-OG 3Å; D169-R252 VanDerWaalsContact CA-NH2 3.28Å; D169-R252 PolarHBondContact O-NH2 2.82Å; D169-R252 IonicContact OD1-CZ 3.91Å; D169-R252 IonicContact OD1-NE 3.33Å; D169-R252 PolarHBondContact OD1-NE 2.96Å; D169-R252 VanDerWaalsContact OD1-NE 3.08Å; D169-R252 IonicContact OD1-NH2 3.01Å |
| 170 | R | 90.3 | Very high | 85.6 | Confident | 50 Ų | 50 | 44.4 Ų | 44.4 | 19% | 0.189 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -91.2 | -12.4 | 178.6 | -65.3 | 160.8 | 166.3 | 74.3 | -3.2 | 113.7 | L128 I131 N132 A166 L167 Y168 L172 | L128-R170 VanDerWaalsContact CD2-CD 3.43Å; I131-R170 HydrophobicContact CG2-CB 3.98Å; N132-R170 PolarHBondContact ND2-NE 3.42Å; N132-R170 PolarHBondContact ND2-NH2 3.1Å; N132-R170 WeakPolarHBondContact OD1-CD 3.41Å; N132-R170 PolarHBondContact OD1-NE 2.82Å; A166-R170 WeakPolarHBondContact O-CD 3.49Å; A166-R170 VanDerWaalsContact O-CG 3.31Å; A166-R170 WeakPolarHBondContact O-CG 3.47Å; A166-R170 PolarHBondContact O-NH1 3.46Å; L167-R170 WeakPolarHBondContact O-CB 3.08Å; L167-R170 PolarHBondContact O-N 3.13Å; Y168-R170 PolarHBondContact O-N 3.08Å; Y168-R170 VanDerWaalsContact O-N 3.15Å; R170-L172 PolarHBondContact O-N 2.92Å |
| 171 | M | 93.7 | Very high | 86.3 | Confident | 0 Ų | 0 | 47.3 Ų | 47.3 | 0% | 0 | 24% | 0.239 | C | C | . | . | trans | -82.8 | 92.7 | 168 | -53.2 | -57.1 | 170.3 | 0 | 0 | 108.1 | F43 I116 I131 L150 A152 L167 Y168 R174 R252 | F43-M171 HydrophobicContact CB-CB 3.68Å; F43-M171 HydrophobicContact CB-CG 4.06Å; I116-M171 HydrophobicContact CD1-CE 3.86Å; I131-M171 HydrophobicContact CD1-CE 4.18Å; L150-M171 HydrophobicContact CD2-CE 3.81Å; L150-M171 HydrophobicContact CD2-SD 4.24Å; A152-M171 HydrophobicContact CB-CE 3.71Å; A152-M171 HydrophobicContact CB-SD 3.95Å; L167-M171 HydrophobicContact CD1-CE 3.96Å; L167-M171 HydrophobicContact CG-CE 4.06Å; L167-M171 PolarHBondContact O-N 2.8Å; Y168-M171 PolarHBondContact O-N 3.46Å; Y168-M171 VanDerWaalsContact O-N 3.13Å; M171-R174 PolarHBondContact O-NE 2.9Å; M171-R252 PolarHBondContact O-NH1 2.9Å; M171-R252 PolarHBondContact O-NH2 3.46Å | ||
| 172 | L | 95.7 | Very high | 87.3 | Confident | 4 Ų | 4 | 42.3 Ų | 42.3 | 2% | 0.021 | 21% | 0.212 | C | C | . | . | trans | -63.8 | -60.6 | -172 | 177.7 | 62.5 | 0 | 0 | 0 | 110.5 | E40 S41 R170 R252 K255 A256 L259 C283 | E40-L172 HydrophobicContact CB-CB 4.43Å; E40-L172 HydrophobicContact CB-CD2 4.01Å; E40-L172 HydrophobicContact CG-CD2 3.78Å; S41-L172 PolarHBondContact O-N 2.95Å; R170-L172 PolarHBondContact O-N 2.92Å; L172-R252 HydrophobicContact CD1-CG 4.37Å; L172-R252 PolarHBondContact O-NH1 2.84Å; L172-K255 HydrophobicContact CD1-CB 3.96Å; L172-K255 HydrophobicContact CD2-CB 4.15Å; L172-A256 HydrophobicContact CD1-CB 4.29Å; L172-L259 HydrophobicContact CD2-CB 4.08Å; L172-L259 HydrophobicContact CD2-CD2 4.28Å; L172-C283 HydrophobicContact CD1-CB 4.29Å; L172-C283 WeakPolarHBondContact O-CA 3.27Å | ||
| 173 | I | 97.5 | Very high | 87.7 | Confident | 0 Ų | 0 | 49.5 Ų | 49.5 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 129.1 | 177.8 | -56.2 | -172.2 | 0 | 0 | 0 | 108.2 | L31 A35 S41 V42 F43 L175 L259 D282 | L31-I173 HydrophobicContact CB-CD1 4.34Å; L31-I173 HydrophobicContact CB-CG2 4.29Å; L31-I173 HydrophobicContact CD1-CG2 4.47Å; L31-I173 WeakPolarHBondContact O-CD1 3.14Å; A35-I173 HydrophobicContact CB-CD1 3.81Å; S41-I173 PolarHBondContact O-N 3.02Å; V42-I173 CarbonylContact C-O 3.53Å; V42-I173 VanDerWaalsContact CA-O 3.27Å; V42-I173 WeakPolarHBondContact CA-O 3.35Å; V42-I173 HydrophobicContact CG1-CB 4.39Å; V42-I173 HydrophobicContact CG1-CG2 4.33Å; V42-I173 HydrophobicContact CG2-CB 4.18Å; F43-I173 PolarHBondContact N-O 2.71Å; I173-L175 HydrophobicContact CG2-CD1 4.37Å; I173-L175 HydrophobicContact CG2-CD2 3.77Å; I173-L175 HydrophobicContact CG2-CG 3.9Å; I173-L259 HydrophobicContact CD1-CD1 4.04Å; I173-L259 HydrophobicContact CD1-CD2 3.71Å; I173-L259 HydrophobicContact CG1-CD2 3.76Å; I173-D282 HydrophobicContact CG2-CB 4.24Å |
| 174 | R | 96.7 | Very high | 88.1 | Confident | 9 Ų | 9 | 48.9 Ų | 48.9 | 3% | 0.034 | 24% | 0.239 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 121.2 | 178.8 | -64.6 | 164.8 | 175.4 | 177.8 | -4.3 | 107.6 | F43 Y168 M171 R252 D282 W285 | F43-R174 HydrophobicContact CB-CG 4.24Å; F43-R174 HydrophobicContact CD1-CG 4.48Å; F43-R174 WeakPolarHBondContact O-CA 3.3Å; Y168-R174 VanDerWaalsContact C-NH2 3.31Å; Y168-R174 VanDerWaalsContact CD1-NH2 3.29Å; Y168-R174 HydrophobicContact CE2-CG 4.28Å; Y168-R174 VanDerWaalsContact CZ-CZ 3.46Å; Y168-R174 PolarHBondContact O-NH2 3.3Å; Y168-R174 WeakPolarHBondContact OH-CD 3.35Å; M171-R174 PolarHBondContact O-NE 2.9Å; R174-R252 VanDerWaalsContact CZ-NH1 3.31Å; R174-D282 PolarHBondContact N-O 3.19Å; R174-W285 HydrophobicContact CB-CD2 4.32Å; R174-W285 VanDerWaalsContact CB-CE2 3.42Å; R174-W285 HydrophobicContact CB-CH2 4.33Å; R174-W285 HydrophobicContact CB-CZ2 3.45Å; R174-W285 VanDerWaalsContact CB-CZ2 3.45Å; R174-W285 WeakPolarHBondContact CD-O 3.4Å; R174-W285 PolarHBondContact NH1-O 3.1Å; R174-W285 WeakPolarHBondContact O-CZ2 3.44Å; R174-W285 PolarHBondContact O-NE1 3.41Å |
| 175 | L | 95.4 | Very high | 88.3 | Confident | 5 Ų | 5 | 50.6 Ų | 50.6 | 3% | 0.026 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.6 | 129.7 | -176.7 | -55.6 | 178.1 | 0 | 0 | 0 | 110.2 | A28 L31 V42 F43 L44 L45 I173 D282 | A28-L175 HydrophobicContact CB-CD1 4.04Å; L31-L175 HydrophobicContact CB-CD1 4.28Å; L31-L175 HydrophobicContact CD1-CD1 4.5Å; L31-L175 HydrophobicContact CD1-CD2 3.42Å; L31-L175 VanDerWaalsContact CD1-CD2 3.42Å; V42-L175 HydrophobicContact CG1-CD1 4.22Å; V42-L175 HydrophobicContact CG1-CG 4.42Å; F43-L175 PolarHBondContact O-N 2.76Å; L44-L175 HydrophobicContact CD2-CB 3.84Å; L44-L175 HydrophobicContact CD2-CD1 3.79Å; L44-L175 HydrophobicContact CD2-CG 4.21Å; L45-L175 PolarHBondContact N-O 3.33Å; I173-L175 HydrophobicContact CG2-CD1 4.37Å; I173-L175 HydrophobicContact CG2-CD2 3.77Å; I173-L175 HydrophobicContact CG2-CG 3.9Å; L175-D282 HydrophobicContact CD2-CB 4.19Å |
| 176 | W | 93.1 | Very high | 88.5 | Confident | 145 Ų | 145 | 51.7 Ų | 51.7 | 55% | 0.549 | 25% | 0.252 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.4 | 123.5 | 166.4 | -176.6 | 81.2 | 0 | 0 | 0 | 109.3 | L45 D178 L291 | L45-W176 CarbonylContact O-C 3.58Å; L45-W176 WeakPolarHBondContact O-CA 3.38Å; W176-D178 HydrophobicContact CE3-CB 4.5Å; W176-D178 HydrophobicContact CH2-CB 3.48Å; W176-D178 VanDerWaalsContact CH2-CB 3.48Å; W176-D178 WeakPolarHBondContact CH2-OD2 3.37Å; W176-D178 HydrophobicContact CZ2-CB 3.92Å; W176-D178 HydrophobicContact CZ3-CB 3.8Å; W176-L291 HydrophobicContact CB-CD2 4.36Å |
| 177 | L | 91.6 | Very high | 88.5 | Confident | 14 Ų | 14 | 58.5 Ų | 58.5 | 7% | 0.073 | 27% | 0.269 | C | S | . | . | trans | -117.8 | 137.3 | 179.2 | -58.5 | -179.3 | 0 | 0 | 0 | 109.1 | A28 L44 L45 G46 P47 I50 K52 I55 | A28-L177 HydrophobicContact CB-CD2 3.81Å; L44-L177 HydrophobicContact CB-CD1 4.33Å; L44-L177 HydrophobicContact CD1-CD1 4.19Å; L44-L177 HydrophobicContact CD2-CD1 4.07Å; L44-L177 HydrophobicContact CG-CD1 4.43Å; L45-L177 PolarHBondContact O-N 2.87Å; G46-L177 WeakPolarHBondContact CA-O 3.33Å; P47-L177 WeakPolarHBondContact CD-O 3.24Å; I50-L177 HydrophobicContact CD1-CB 3.58Å; I50-L177 WeakPolarHBondContact CD1-O 3.27Å; K52-L177 HydrophobicContact CG-CD1 4.34Å; I55-L177 HydrophobicContact CD1-CD1 3.89Å | ||
| 178 | D | 89.4 | Confident | 88.3 | Confident | 52 Ų | 52 | 60.7 Ų | 60.7 | 28% | 0.278 | 29% | 0.285 | S | S | . | . | trans | -124.7 | 175 | 175.1 | -158.8 | 1.6 | 0 | 0 | 0 | 111 | R25 W176 Q181 | R25-D178 VanDerWaalsContact CZ-O 3.29Å; R25-D178 PolarHBondContact NH1-O 3.44Å; R25-D178 PolarHBondContact NH2-O 3.35Å; W176-D178 HydrophobicContact CE3-CB 4.5Å; W176-D178 HydrophobicContact CH2-CB 3.48Å; W176-D178 VanDerWaalsContact CH2-CB 3.48Å; W176-D178 WeakPolarHBondContact CH2-OD2 3.37Å; W176-D178 HydrophobicContact CZ2-CB 3.92Å; W176-D178 HydrophobicContact CZ3-CB 3.8Å; D178-Q181 PolarHBondContact OD2-NE2 2.83Å | ||
| 179 | K | 86.8 | Confident | 88 | Confident | 132 Ų | 132 | 64.1 Ų | 64.1 | 57% | 0.574 | 30% | 0.302 | S | S | * | . | trans | -55.4 | 154.5 | 174.1 | -61.4 | 177.1 | -174.6 | 174.4 | 0 | 110.9 | I50 Q181 | I50-K179 HydrophobicContact CG2-CG 4.29Å; K179-Q181 WeakPolarHBondContact O-CG 3.41Å; K179-Q181 PolarHBondContact O-N 3Å; K179-Q181 PolarHBondContact O-NE2 3.41Å | ||
| 180 | V | 84.3 | Confident | 87.7 | Confident | 23 Ų | 23 | 68 Ų | 68 | 14% | 0.139 | 32% | 0.322 | C | S | . | . | trans | -59.7 | 121.7 | 171.9 | -179.6 | 0 | 0 | 0 | 0 | 108.4 | E24 N185 F186 M189 | E24-V180 HydrophobicContact CG-CG1 4.35Å; E24-V180 WeakPolarHBondContact OE1-CG1 3.11Å; E24-V180 WeakPolarHBondContact OE2-CA 3.49Å; V180-N185 HydrophobicContact CG1-CB 3.7Å; V180-F186 HydrophobicContact CG1-CB 4.03Å; V180-M189 HydrophobicContact CG2-SD 3.94Å | ||
| 181 | Q | 84.2 | Confident | 87.4 | Confident | 134 Ų | 134 | 70 Ų | 70 | 63% | 0.626 | 34% | 0.34 | S | S | * | . | trans | -96.4 | -40 | -175.2 | -59.1 | -61.6 | -41.3 | 0 | 0 | 112 | E24 D178 K179 | E24-Q181 PolarHBondContact OE1-N 3.32Å; E24-Q181 PolarHBondContact OE2-N 3.1Å; D178-Q181 PolarHBondContact OD2-NE2 2.83Å; K179-Q181 WeakPolarHBondContact O-CG 3.41Å; K179-Q181 PolarHBondContact O-N 3Å; K179-Q181 PolarHBondContact O-NE2 3.41Å | ||
| 182 | D | 83.8 | Confident | 86.7 | Confident | 54 Ų | 54 | 72.1 Ų | 72.1 | 29% | 0.289 | 36% | 0.355 | S | S | . | . | trans | -71.1 | 133.2 | -179 | 173 | -102.1 | 0 | 0 | 0 | 111.4 | E24 A184 N185 F186 | E24-D182 WeakPolarHBondContact OE1-CA 3.37Å; E24-D182 WeakPolarHBondContact OE1-CB 3.33Å; E24-D182 PolarHBondContact OE1-N 3.47Å; D182-A184 PolarHBondContact O-N 2.93Å; D182-A184 WeakPolarHBondContact OD1-CA 2.98Å; D182-A184 WeakPolarHBondContact OD1-CB 3.42Å; D182-A184 PolarHBondContact OD1-N 3.04Å; D182-N185 HydrophobicContact CB-CB 4.11Å; D182-N185 PolarHBondContact O-N 3.39Å; D182-N185 PolarHBondContact OD1-N 2.95Å; D182-N185 PolarHBondContact OD1-ND2 2.84Å; D182-F186 VanDerWaalsContact O-CB 3.32Å; D182-F186 WeakPolarHBondContact O-CB 3.39Å; D182-F186 PolarHBondContact O-N 3.35Å | ||
| 183 | K | 79.7 | Confident | 85.6 | Confident | 180 Ų | 180 | 81.3 Ų | 81.3 | 78% | 0.783 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -66.1 | -37.6 | -175.4 | -176 | -179.7 | 179.3 | -178.7 | 0 | 112.2 | R187 | K183-R187 WeakPolarHBondContact O-CB 3.38Å; K183-R187 PolarHBondContact O-N 3.25Å |
| 184 | A | 76.3 | Confident | 84.3 | Confident | 59 Ų | 59 | 87 Ų | 87 | 49% | 0.488 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -72.2 | -42.1 | -179 | 0 | 0 | 0 | 0 | 0 | 111 | D182 R187 S188 | D182-A184 PolarHBondContact O-N 2.93Å; D182-A184 WeakPolarHBondContact OD1-CA 2.98Å; D182-A184 WeakPolarHBondContact OD1-CB 3.42Å; D182-A184 PolarHBondContact OD1-N 3.04Å; A184-R187 PolarHBondContact O-N 2.79Å; A184-S188 WeakPolarHBondContact O-CB 3.41Å; A184-S188 PolarHBondContact O-N 2.91Å; A184-S188 PolarHBondContact O-OG 3.02Å |
| 185 | N | 83 | Confident | 83.2 | Confident | 55 Ų | 55 | 90.8 Ų | 90.8 | 29% | 0.294 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -60.6 | -46.2 | 171.5 | -75 | -28.2 | 0 | 0 | 0 | 111.7 | Y23 E24 V180 D182 R187 S188 M189 | Y23-N185 HydrophobicContact CD1-CB 4.29Å; E24-N185 HydrophobicContact CG-CB 4.33Å; E24-N185 VanDerWaalsContact CG-ND2 3.34Å; E24-N185 WeakPolarHBondContact CG-ND2 3.46Å; E24-N185 PolarHBondContact OE1-ND2 2.79Å; V180-N185 HydrophobicContact CG1-CB 3.7Å; D182-N185 HydrophobicContact CB-CB 4.11Å; D182-N185 PolarHBondContact O-N 3.39Å; D182-N185 PolarHBondContact OD1-N 2.95Å; D182-N185 PolarHBondContact OD1-ND2 2.84Å; N185-R187 PolarHBondContact O-N 2.85Å; N185-S188 PolarHBondContact O-N 3Å; N185-M189 WeakPolarHBondContact O-CB 3.34Å; N185-M189 PolarHBondContact O-N 3.44Å |
| 186 | F | 84.5 | Confident | 82 | Confident | 94 Ų | 94 | 95.5 Ų | 95.5 | 41% | 0.412 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -61.5 | -45.2 | 177.4 | -176.8 | -110 | 0 | 0 | 0 | 112.1 | V180 D182 S188 M189 L190 | V180-F186 HydrophobicContact CG1-CB 4.03Å; D182-F186 VanDerWaalsContact O-CB 3.32Å; D182-F186 WeakPolarHBondContact O-CB 3.39Å; D182-F186 PolarHBondContact O-N 3.35Å; F186-S188 VanDerWaalsContact C-N 3.34Å; F186-S188 PolarHBondContact O-N 3.15Å; F186-M189 HydrophobicContact CD2-CE 3.66Å; F186-M189 HydrophobicContact CE2-CE 3.7Å; F186-M189 WeakPolarHBondContact O-CB 3.31Å; F186-M189 PolarHBondContact O-N 3.35Å; F186-L190 HydrophobicContact CD1-CD1 3.97Å; F186-L190 HydrophobicContact CE1-CD1 3.47Å; F186-L190 VanDerWaalsContact CE1-CD1 3.47Å; F186-L190 HydrophobicContact CE1-CG 4.3Å; F186-L190 HydrophobicContact CE2-CD1 4.45Å; F186-L190 HydrophobicContact CZ-CD1 3.74Å; F186-L190 HydrophobicContact CZ-CD2 4.42Å; F186-L190 HydrophobicContact CZ-CG 4.24Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 3.28Å |
| 187 | R | 84.2 | Confident | 81 | Confident | 181 Ų | 181 | 92.7 Ų | 92.7 | 68% | 0.683 | 46% | 0.463 | S | S | * | . | H | α-helix | trans | -60 | -46.6 | 174.6 | -178.1 | 177.6 | -177.1 | 166.4 | 1.5 | 111.2 | K183 A184 N185 M189 L190 T191 | K183-R187 WeakPolarHBondContact O-CB 3.38Å; K183-R187 PolarHBondContact O-N 3.25Å; A184-R187 PolarHBondContact O-N 2.79Å; N185-R187 PolarHBondContact O-N 2.85Å; R187-M189 VanDerWaalsContact C-N 3.32Å; R187-M189 PolarHBondContact O-N 2.94Å; R187-L190 PolarHBondContact O-N 2.87Å; R187-L190 VanDerWaalsContact O-N 3.16Å; R187-T191 HydrophobicContact CG-CG2 4.34Å; R187-T191 WeakPolarHBondContact O-CG2 3.32Å; R187-T191 PolarHBondContact O-N 2.97Å; R187-T191 PolarHBondContact O-OG1 3.48Å |
| 188 | S | 82.2 | Confident | 80.6 | Confident | 48 Ų | 48 | 96.9 Ų | 96.9 | 34% | 0.336 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.7 | -42.7 | -178.4 | -60.4 | 0 | 0 | 0 | 0 | 111.1 | Y23 A184 N185 F186 L190 T191 S192 | Y23-S188 PolarHBondContact OH-O 3.1Å; A184-S188 WeakPolarHBondContact O-CB 3.41Å; A184-S188 PolarHBondContact O-N 2.91Å; A184-S188 PolarHBondContact O-OG 3.02Å; N185-S188 PolarHBondContact O-N 3Å; F186-S188 VanDerWaalsContact C-N 3.34Å; F186-S188 PolarHBondContact O-N 3.15Å; S188-L190 PolarHBondContact O-N 3.3Å; S188-T191 PolarHBondContact O-N 3.26Å; S188-T191 PolarHBondContact O-OG1 3.45Å; S188-S192 WeakPolarHBondContact O-CB 3.41Å; S188-S192 PolarHBondContact O-N 3.41Å |
| 189 | M | 84.7 | Confident | 80.4 | Confident | 72 Ų | 72 | 97.8 Ų | 97.8 | 36% | 0.355 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -56.2 | -46.3 | 171.9 | -172.7 | -170.9 | 73.3 | 0 | 0 | 112.4 | Y23 V180 N185 F186 R187 T191 | Y23-M189 HydrophobicContact CD2-CB 3.44Å; Y23-M189 VanDerWaalsContact CD2-CB 3.44Å; Y23-M189 HydrophobicContact CD2-CG 3.77Å; Y23-M189 HydrophobicContact CE2-CB 3.7Å; Y23-M189 HydrophobicContact CE2-CG 4.15Å; Y23-M189 HydrophobicContact CG-CB 3.99Å; V180-M189 HydrophobicContact CG2-SD 3.94Å; N185-M189 WeakPolarHBondContact O-CB 3.34Å; N185-M189 PolarHBondContact O-N 3.44Å; F186-M189 HydrophobicContact CD2-CE 3.66Å; F186-M189 HydrophobicContact CE2-CE 3.7Å; F186-M189 WeakPolarHBondContact O-CB 3.31Å; F186-M189 PolarHBondContact O-N 3.35Å; R187-M189 VanDerWaalsContact C-N 3.32Å; R187-M189 PolarHBondContact O-N 2.94Å; M189-T191 VanDerWaalsContact C-N 3.35Å; M189-T191 PolarHBondContact O-N 2.94Å |
| 190 | L | 84.3 | Confident | 80.3 | Confident | 118 Ų | 118 | 92.9 Ų | 92.9 | 62% | 0.618 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -69.6 | -29.7 | 179.1 | -68.3 | 178.1 | 0 | 0 | 0 | 113.7 | F186 R187 S188 | F186-L190 HydrophobicContact CD1-CD1 3.97Å; F186-L190 HydrophobicContact CE1-CD1 3.47Å; F186-L190 VanDerWaalsContact CE1-CD1 3.47Å; F186-L190 HydrophobicContact CE1-CG 4.3Å; F186-L190 HydrophobicContact CE2-CD1 4.45Å; F186-L190 HydrophobicContact CZ-CD1 3.74Å; F186-L190 HydrophobicContact CZ-CD2 4.42Å; F186-L190 HydrophobicContact CZ-CG 4.24Å; F186-L190 WeakPolarHBondContact O-CG 3.46Å; F186-L190 PolarHBondContact O-N 3.28Å; R187-L190 PolarHBondContact O-N 2.87Å; R187-L190 VanDerWaalsContact O-N 3.16Å; S188-L190 PolarHBondContact O-N 3.3Å |
| 191 | T | 84.4 | Confident | 80.6 | Confident | 91 Ų | 91 | 92 Ų | 92 | 56% | 0.558 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -95.8 | -10 | -177.1 | 57.1 | 0 | 0 | 0 | 0 | 114.1 | R187 S188 M189 Q193 | R187-T191 HydrophobicContact CG-CG2 4.34Å; R187-T191 WeakPolarHBondContact O-CG2 3.32Å; R187-T191 PolarHBondContact O-N 2.97Å; R187-T191 PolarHBondContact O-OG1 3.48Å; S188-T191 PolarHBondContact O-N 3.26Å; S188-T191 PolarHBondContact O-OG1 3.45Å; M189-T191 VanDerWaalsContact C-N 3.35Å; M189-T191 PolarHBondContact O-N 2.94Å; T191-Q193 PolarHBondContact O-N 3.13Å |
| 192 | S | 78.9 | Confident | 80.8 | Confident | 45 Ų | 45 | 89 Ų | 89 | 32% | 0.315 | 46% | 0.458 | S | S | . | . | trans | -62.5 | 125.8 | -180 | -175.6 | 0 | 0 | 0 | 0 | 110.2 | S188 Q194 | S188-S192 WeakPolarHBondContact O-CB 3.41Å; S188-S192 PolarHBondContact O-N 3.41Å; S192-Q194 PolarHBondContact OG-N 3.3Å | ||
| 193 | Q | 73 | Confident | 81 | Confident | 197 Ų | 197 | 92.5 Ų | 92.5 | 92% | 0.921 | 48% | 0.477 | S | S | * | . | trans | -102.5 | 7.7 | 172.9 | -64.9 | -165.6 | -17.1 | 0 | 0 | 112.5 | T191 | T191-Q193 PolarHBondContact O-N 3.13Š| ||
| 194 | Q | 69.4 | Low | 81.5 | Confident | 120 Ų | 120 | 88.3 Ų | 88.3 | 56% | 0.561 | 48% | 0.476 | S | S | * | . | S | Bend | trans | -71.7 | 138.7 | 178.7 | -70 | -176.4 | -16.1 | 0 | 0 | 110.3 | S192 E196 | S192-Q194 PolarHBondContact OG-N 3.3Å; Q194-E196 PolarHBondContact O-N 2.85Å |
| 195 | D | 73.7 | Confident | 82.3 | Confident | 87 Ų | 87 | 86.7 Ų | 86.7 | 47% | 0.465 | 46% | 0.459 | S | S | . | . | trans | -66.5 | 119.6 | 168.3 | -167.5 | -21.8 | 0 | 0 | 0 | 108.5 | N197 D198 | D195-N197 PolarHBondContact O-N 2.96Å; D195-N197 WeakPolarHBondContact OD1-CB 3.44Å; D195-N197 PolarHBondContact OD1-N 3.5Å; D195-D198 PolarHBondContact O-N 3.35Å | ||
| 196 | E | 71.3 | Confident | 82.8 | Confident | 104 Ų | 104 | 85 Ų | 85 | 49% | 0.486 | 45% | 0.449 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -19.8 | 179.8 | -66.6 | -174.7 | 167.1 | 0 | 0 | 112.3 | L54 R58 Q194 | L54-E196 HydrophobicContact CD1-CB 3.86Å; L54-E196 HydrophobicContact CD2-CB 4.23Å; L54-E196 HydrophobicContact CD2-CG 4.3Å; R58-E196 VanDerWaalsContact CZ-O 3.22Å; R58-E196 PolarHBondContact NE-O 3.38Å; R58-E196 PolarHBondContact NH2-O 2.96Å; R58-E196 VanDerWaalsContact NH2-O 3.08Å; Q194-E196 PolarHBondContact O-N 2.85Å |
| 197 | N | 71.9 | Confident | 83.3 | Confident | 87 Ų | 87 | 80.6 Ų | 80.6 | 47% | 0.465 | 43% | 0.43 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -5.3 | 179.8 | -60.6 | -48.8 | 0 | 0 | 0 | 114 | F61 D195 | F61-N197 WeakPolarHBondContact CZ-O 3.42Å; D195-N197 PolarHBondContact O-N 2.96Å; D195-N197 WeakPolarHBondContact OD1-CB 3.44Å; D195-N197 PolarHBondContact OD1-N 3.5Å |
| 198 | D | 82.3 | Confident | 83.8 | Confident | 101 Ų | 101 | 73.8 Ų | 73.8 | 54% | 0.54 | 41% | 0.409 | S | S | . | . | S | Bend | trans | -65.1 | 138.4 | 177.2 | -88.1 | -16.6 | 0 | 0 | 0 | 111.3 | R58 D195 P200 | R58-D198 PolarHBondContact NH1-O 3.05Å; D195-D198 PolarHBondContact O-N 3.35Å; D198-P200 WeakPolarHBondContact O-CD 3.49Å |
| 199 | N | 86 | Confident | 84.3 | Confident | 71 Ų | 71 | 75.5 Ų | 75.5 | 38% | 0.38 | 41% | 0.414 | S | S | . | . | trans | -69 | 111.5 | 175.3 | -178.3 | 0.7 | 0 | 0 | 0 | 110.3 | F61 V201 Q206 | F61-N199 WeakPolarHBondContact CB-OD1 3.21Å; F61-N199 HydrophobicContact CD1-CB 3.71Å; F61-N199 VanDerWaalsContact CD1-CG 3.47Å; F61-N199 HydrophobicContact CD2-CB 4.47Å; F61-N199 HydrophobicContact CE1-CB 3.73Å; F61-N199 HydrophobicContact CE2-CB 4.49Å; F61-N199 HydrophobicContact CG-CB 4.1Å; F61-N199 WeakPolarHBondContact CG-OD1 3.45Å; F61-N199 HydrophobicContact CZ-CB 4.14Å; N199-V201 VanDerWaalsContact C-N 3.32Å; N199-V201 WeakPolarHBondContact OD1-CB 3.36Å; N199-V201 PolarHBondContact OD1-N 3.38Å; N199-V201 PolarHBondContact OD1-O 2.87Å; N199-Q206 PolarHBondContact ND2-NE2 3.36Å | ||
| 200 | P | 85 | Confident | 84.7 | Confident | 30 Ų | 30 | 79.8 Ų | 79.8 | 20% | 0.195 | 43% | 0.433 | C | S | . | . | trans | -89.5 | -2.2 | -178.8 | 40.4 | -35.4 | 0 | 0 | 0 | 112.5 | S17 R58 D198 P202 | S17-P200 WeakPolarHBondContact O-CB 3.39Å; S17-P200 WeakPolarHBondContact O-CG 3.12Å; S17-P200 PolarHBondContact OG-O 3.19Å; R58-P200 VanDerWaalsContact NH1-CD 3.31Å; D198-P200 WeakPolarHBondContact O-CD 3.49Å; P200-P202 WeakPolarHBondContact O-CD 3.34Å | ||
| 201 | V | 89.5 | Confident | 85.2 | Confident | 4 Ų | 4 | 75.9 Ų | 75.9 | 2% | 0.024 | 41% | 0.412 | C | S | . | . | S | Bend | trans | -102.4 | 113 | -171.1 | -175.1 | 0 | 0 | 0 | 0 | 109.8 | L14 L18 F61 N199 L205 Q206 | L14-V201 HydrophobicContact CD1-CB 4.4Å; L14-V201 HydrophobicContact CD1-CG1 3.38Å; L14-V201 HydrophobicContact CD1-CG2 4.05Å; L18-V201 HydrophobicContact CD2-CG2 3.55Å; L18-V201 HydrophobicContact CG-CG2 3.94Å; F61-V201 HydrophobicContact CB-CB 4.29Å; F61-V201 HydrophobicContact CB-CG2 3.93Å; F61-V201 WeakPolarHBondContact O-CB 3.14Å; N199-V201 VanDerWaalsContact C-N 3.32Å; N199-V201 WeakPolarHBondContact OD1-CB 3.36Å; N199-V201 PolarHBondContact OD1-N 3.38Å; N199-V201 PolarHBondContact OD1-O 2.87Å; V201-L205 HydrophobicContact CG1-CB 3.99Å; V201-Q206 HydrophobicContact CB-CG 4.46Å; V201-Q206 HydrophobicContact CG1-CG 3.77Å; V201-Q206 PolarHBondContact O-NE2 3.29Å |
| 202 | P | 89.3 | Confident | 85.7 | Confident | 70 Ų | 70 | 72.8 Ų | 72.8 | 46% | 0.455 | 39% | 0.39 | S | S | . | . | trans | -54.6 | 140.3 | 169.8 | -23.5 | 31.9 | 0 | 0 | 0 | 111.8 | P200 A204 L205 | P200-P202 WeakPolarHBondContact O-CD 3.34Å; P202-A204 PolarHBondContact O-N 3.47Å; P202-L205 HydrophobicContact CG-CD1 4.3Å; P202-L205 PolarHBondContact O-N 2.87Å | ||
| 203 | D | 88.2 | Confident | 86.4 | Confident | 129 Ų | 129 | 76.1 Ų | 76.1 | 69% | 0.69 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -53.7 | -34.4 | -177.7 | -65.6 | -23.4 | 0 | 0 | 0 | 113.3 | L205 Q206 | D203-L205 PolarHBondContact O-N 2.9Å; D203-Q206 PolarHBondContact O-N 3.22Å; D203-Q206 PolarHBondContact OD1-NE2 3.07Å |
| 204 | A | 89.2 | Confident | 87.5 | Confident | 91 Ų | 91 | 71.4 Ų | 71.4 | 75% | 0.752 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -66.2 | -19.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | P202 | P202-A204 PolarHBondContact O-N 3.47Š|
| 205 | L | 92.4 | Very high | 88.7 | Confident | 26 Ų | 26 | 65.9 Ų | 65.9 | 14% | 0.136 | 35% | 0.348 | C | S | . | . | G | 310 helix | trans | -92.3 | -22 | 176.9 | -64.6 | -176.4 | 0 | 0 | 0 | 112.6 | R10 R13 L14 V201 P202 D203 | R10-L205 HydrophobicContact CG-CD2 4Å; R10-L205 PolarHBondContact NE-O 2.79Å; R13-L205 HydrophobicContact CB-CD1 3.92Å; R13-L205 HydrophobicContact CB-CD2 4.12Å; L14-L205 HydrophobicContact CD1-CB 4.26Å; V201-L205 HydrophobicContact CG1-CB 3.99Å; P202-L205 HydrophobicContact CG-CD1 4.3Å; P202-L205 PolarHBondContact O-N 2.87Å; D203-L205 PolarHBondContact O-N 2.9Å |
| 206 | Q | 94.3 | Very high | 89.7 | Confident | 20 Ų | 20 | 63.4 Ų | 63.4 | 9% | 0.093 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -63 | 141.2 | -178.1 | -62 | 178.2 | 17.2 | 0 | 0 | 111.2 | R10 F61 N199 V201 D203 | R10-Q206 PolarHBondContact NH2-O 3.44Å; F61-Q206 WeakPolarHBondContact O-CG 3.44Å; N199-Q206 PolarHBondContact ND2-NE2 3.36Å; V201-Q206 HydrophobicContact CB-CG 4.46Å; V201-Q206 HydrophobicContact CG1-CG 3.77Å; V201-Q206 PolarHBondContact O-NE2 3.29Å; D203-Q206 PolarHBondContact O-N 3.22Å; D203-Q206 PolarHBondContact OD1-NE2 3.07Å |
| 207 | V | 94.4 | Very high | 90.9 | Very high | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 34% | 0.343 | C | S | . | . | B | Isolated β-bridge | trans | -87.3 | 127.1 | -176.8 | 179.3 | 0 | 0 | 0 | 0 | 110.2 | L14 L37 A62 F63 Q64 E211 W215 | L14-V207 HydrophobicContact CD2-CG2 4.13Å; L37-V207 HydrophobicContact CD2-CG2 4.12Å; A62-V207 PolarHBondContact O-N 3.33Å; F63-V207 WeakPolarHBondContact CA-O 3.38Å; F63-V207 HydrophobicContact CD1-CB 3.75Å; F63-V207 HydrophobicContact CD1-CG1 4.04Å; F63-V207 HydrophobicContact CE1-CB 4.13Å; F63-V207 HydrophobicContact CE1-CG1 4.15Å; Q64-V207 PolarHBondContact N-O 3.1Å; V207-E211 HydrophobicContact CG1-CB 4.17Å; V207-W215 HydrophobicContact CB-CH2 4.48Å; V207-W215 HydrophobicContact CB-CZ3 4.17Å; V207-W215 HydrophobicContact CG1-CE3 4.03Å; V207-W215 HydrophobicContact CG1-CH2 3.89Å; V207-W215 HydrophobicContact CG1-CZ3 3.38Å; V207-W215 HydrophobicContact CG2-CH2 3.89Å; V207-W215 HydrophobicContact CG2-CZ3 3.64Å |
| 208 | T | 94.6 | Very high | 92 | Very high | 39 Ų | 39 | 64 Ų | 64 | 24% | 0.239 | 33% | 0.332 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 163.5 | 176.9 | 77.2 | 0 | 0 | 0 | 0 | 111.8 | E211 Y212 | T208-E211 PolarHBondContact N-OE2 3.08Å; T208-E211 VanDerWaalsContact N-OE2 3.14Å; T208-E211 PolarHBondContact O-N 2.97Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 3.34Å; T208-E211 PolarHBondContact OG1-N 3.41Å; T208-Y212 PolarHBondContact O-N 2.93Å |
| 209 | D | 93.1 | Very high | 92.6 | Very high | 83 Ų | 83 | 59.2 Ų | 59.2 | 44% | 0.444 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -43.3 | 179.7 | -62.6 | -5.5 | 0 | 0 | 0 | 111.9 | R148 E211 Y212 E213 | R148-D209 IonicContact CZ-OD1 3.5Å; R148-D209 IonicContact NH1-OD1 2.72Å; R148-D209 PolarHBondContact NH1-OD1 2.99Å; R148-D209 VanDerWaalsContact NH2-CG 3.29Å; R148-D209 IonicContact NH2-OD1 3.42Å; R148-D209 PolarHBondContact NH2-OD1 3.48Å; D209-E211 VanDerWaalsContact C-N 3.32Å; D209-E211 PolarHBondContact O-N 3.04Å; D209-Y212 PolarHBondContact O-N 2.84Å; D209-E213 WeakPolarHBondContact O-CG 3.34Å; D209-E213 PolarHBondContact O-N 3.12Å |
| 210 | E | 93.9 | Very high | 93 | Very high | 162 Ų | 162 | 57.9 Ų | 57.9 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | H | α-helix | trans | -61.9 | -40 | 176.7 | -62.7 | 180 | 178.9 | 0 | 0 | 111.8 | R214 | E210-R214 VanDerWaalsContact O-CB 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.45Å; E210-R214 PolarHBondContact O-N 3.31Å |
| 211 | E | 94.3 | Very high | 93.5 | Very high | 36 Ų | 36 | 63.7 Ų | 63.7 | 17% | 0.168 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -64.8 | -47.1 | 175.6 | -73.3 | -178.5 | 136.4 | 0 | 0 | 111.3 | R10 V207 T208 D209 R214 W215 | R10-E211 IonicContact CZ-OE1 2.88Å; R10-E211 IonicContact CZ-OE2 3.47Å; R10-E211 VanDerWaalsContact NH1-CD 3.26Å; R10-E211 IonicContact NH1-OE1 3.17Å; R10-E211 PolarHBondContact NH1-OE1 3.33Å; R10-E211 IonicContact NH1-OE2 3.42Å; R10-E211 PolarHBondContact NH1-OE2 2.89Å; R10-E211 IonicContact NH2-OE1 3.63Å; R10-E211 IonicContact NH2-OE2 2.63Å; R10-E211 PolarHBondContact NH2-OE2 3.37Å; V207-E211 HydrophobicContact CG1-CB 4.17Å; T208-E211 PolarHBondContact N-OE2 3.08Å; T208-E211 VanDerWaalsContact N-OE2 3.14Å; T208-E211 PolarHBondContact O-N 2.97Å; T208-E211 VanDerWaalsContact OG1-CG 3.27Å; T208-E211 WeakPolarHBondContact OG1-CG 3.34Å; T208-E211 PolarHBondContact OG1-N 3.41Å; D209-E211 VanDerWaalsContact C-N 3.32Å; D209-E211 PolarHBondContact O-N 3.04Å; E211-R214 PolarHBondContact O-N 3.18Å; E211-W215 HydrophobicContact CB-CH2 4.39Å; E211-W215 HydrophobicContact CB-CZ2 4.12Å; E211-W215 WeakPolarHBondContact O-CB 3.35Å; E211-W215 PolarHBondContact O-N 2.71Å |
| 212 | Y | 94.9 | Very high | 93.9 | Very high | 27 Ų | 27 | 64.1 Ų | 64.1 | 11% | 0.106 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -59.5 | -49.4 | 178.7 | 178.3 | -98.9 | 0 | 0 | 0 | 111.6 | A36 G39 F63 R148 T208 D209 R214 W215 Q216 | A36-Y212 WeakPolarHBondContact O-CE2 3.19Å; G39-Y212 WeakPolarHBondContact CA-OH 3.3Å; F63-Y212 AromaticContact CE1-CD2 3.91Å; F63-Y212 HydrophobicContact CE1-CD2 3.91Å; F63-Y212 HydrophobicContact CE1-CE2 4.4Å; R148-Y212 HydrophobicContact CB-CE2 4.35Å; R148-Y212 HydrophobicContact CG-CE1 4.01Å; R148-Y212 HydrophobicContact CG-CE2 4.17Å; T208-Y212 PolarHBondContact O-N 2.93Å; D209-Y212 PolarHBondContact O-N 2.84Å; Y212-R214 VanDerWaalsContact C-N 3.31Å; Y212-R214 PolarHBondContact O-N 3.18Å; Y212-W215 PolarHBondContact O-N 2.81Å; Y212-Q216 HydrophobicContact CD1-CG 4.25Å; Y212-Q216 HydrophobicContact CE1-CG 3.87Å; Y212-Q216 HydrophobicContact CE2-CG 4.47Å; Y212-Q216 WeakPolarHBondContact O-CG 3.39Å; Y212-Q216 PolarHBondContact O-N 2.92Å |
| 213 | E | 94 | Very high | 94.3 | Very high | 115 Ų | 115 | 64.6 Ų | 64.6 | 54% | 0.537 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -62.8 | -36.8 | 178.9 | -71.4 | -167.8 | 162.2 | 0 | 0 | 112.8 | D209 | D209-E213 WeakPolarHBondContact O-CG 3.34Å; D209-E213 PolarHBondContact O-N 3.12Å |
| 214 | R | 95.4 | Very high | 94.7 | Very high | 98 Ų | 98 | 60.8 Ų | 60.8 | 37% | 0.37 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -64.8 | -49.2 | 173.4 | -176.4 | -179.9 | 66 | -151.4 | -7.4 | 111 | E210 E211 Y212 Q216 K217 E218 | E210-R214 VanDerWaalsContact O-CB 3.29Å; E210-R214 WeakPolarHBondContact O-CB 3.45Å; E210-R214 PolarHBondContact O-N 3.31Å; E211-R214 PolarHBondContact O-N 3.18Å; Y212-R214 VanDerWaalsContact C-N 3.31Å; Y212-R214 PolarHBondContact O-N 3.18Å; R214-Q216 VanDerWaalsContact C-N 3.29Å; R214-Q216 PolarHBondContact O-N 3.08Å; R214-K217 WeakPolarHBondContact O-CB 3.15Å; R214-K217 PolarHBondContact O-N 3.48Å; R214-K217 VanDerWaalsContact O-N 3.07Å; R214-E218 WeakPolarHBondContact CD-OE1 3.4Å; R214-E218 HydrophobicContact CG-CG 4.3Å; R214-E218 VanDerWaalsContact CG-OE1 3.31Å; R214-E218 WeakPolarHBondContact CG-OE1 3.46Å; R214-E218 IonicContact NE-OE1 2.74Å; R214-E218 PolarHBondContact O-N 3.31Å; R214-E218 VanDerWaalsContact O-N 3.07Å |
| 215 | W | 95.2 | Very high | 95.1 | Very high | 3 Ų | 3 | 58 Ų | 58 | 1% | 0.011 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.4 | -34.8 | 179.9 | -63.6 | -20.2 | 0 | 0 | 0 | 112.4 | L7 I11 L37 V207 E211 Y212 K217 E218 I219 F265 F266 | L7-W215 HydrophobicContact CD1-CH2 3.82Å; L7-W215 HydrophobicContact CD1-CZ2 3.33Å; I11-W215 HydrophobicContact CD1-CH2 4.31Å; I11-W215 HydrophobicContact CD1-CZ3 4.35Å; L37-W215 HydrophobicContact CD2-CE3 4.3Å; L37-W215 HydrophobicContact CD2-CZ3 3.96Å; V207-W215 HydrophobicContact CB-CH2 4.48Å; V207-W215 HydrophobicContact CB-CZ3 4.17Å; V207-W215 HydrophobicContact CG1-CE3 4.03Å; V207-W215 HydrophobicContact CG1-CH2 3.89Å; V207-W215 HydrophobicContact CG1-CZ3 3.38Å; V207-W215 HydrophobicContact CG2-CH2 3.89Å; V207-W215 HydrophobicContact CG2-CZ3 3.64Å; E211-W215 HydrophobicContact CB-CH2 4.39Å; E211-W215 HydrophobicContact CB-CZ2 4.12Å; E211-W215 WeakPolarHBondContact O-CB 3.35Å; E211-W215 PolarHBondContact O-N 2.71Å; Y212-W215 PolarHBondContact O-N 2.81Å; W215-K217 PolarHBondContact O-N 2.96Å; W215-K217 VanDerWaalsContact O-N 3.16Å; W215-E218 PolarHBondContact O-N 3.21Å; W215-I219 WeakPolarHBondContact O-CB 3.41Å; W215-I219 WeakPolarHBondContact O-CD1 3.4Å; W215-I219 WeakPolarHBondContact O-CG1 3.36Å; W215-I219 PolarHBondContact O-N 3.04Å; W215-F265 HydrophobicContact CB-CE1 3.98Å; W215-F265 HydrophobicContact CB-CZ 4.39Å; W215-F265 AromaticContact CD1-CE1 3.75Å; W215-F265 AromaticContact CD1-CZ 3.61Å; W215-F265 HydrophobicContact CD2-CE1 4.41Å; W215-F265 AromaticContact CG-CE1 3.81Å; W215-F265 HydrophobicContact CG-CE1 3.81Å; W215-F265 HydrophobicContact CG-CZ 4.1Å; W215-F266 HydrophobicContact CD2-CE1 4.07Å; W215-F266 HydrophobicContact CD2-CZ 4.49Å; W215-F266 AromaticContact CE3-CE1 3.74Å; W215-F266 HydrophobicContact CE3-CE1 3.74Å; W215-F266 HydrophobicContact CE3-CZ 4.01Å; W215-F266 HydrophobicContact CZ3-CE1 4.1Å |
| 216 | Q | 95.5 | Very high | 95.3 | Very high | 35 Ų | 35 | 63.1 Ų | 63.1 | 16% | 0.164 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -58.1 | -30.4 | 175 | -70.5 | -44.1 | -56.8 | 0 | 0 | 113.5 | L37 S38 Y212 R214 R258 | L37-Q216 PolarHBondContact O-NE2 3.26Å; S38-Q216 PolarHBondContact O-OE1 2.83Å; Y212-Q216 HydrophobicContact CD1-CG 4.25Å; Y212-Q216 HydrophobicContact CE1-CG 3.87Å; Y212-Q216 HydrophobicContact CE2-CG 4.47Å; Y212-Q216 WeakPolarHBondContact O-CG 3.39Å; Y212-Q216 PolarHBondContact O-N 2.92Å; R214-Q216 VanDerWaalsContact C-N 3.29Å; R214-Q216 PolarHBondContact O-N 3.08Å; Q216-R258 PolarHBondContact O-NH2 3.42Å |
| 217 | K | 95.1 | Very high | 95.3 | Very high | 156 Ų | 156 | 66.9 Ų | 66.9 | 68% | 0.678 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -81.5 | -49.2 | 175.6 | -63.1 | 175.1 | -176.1 | 171.4 | 0 | 110.8 | R214 W215 I219 G220 | R214-K217 WeakPolarHBondContact O-CB 3.15Å; R214-K217 PolarHBondContact O-N 3.48Å; R214-K217 VanDerWaalsContact O-N 3.07Å; W215-K217 PolarHBondContact O-N 2.96Å; W215-K217 VanDerWaalsContact O-N 3.16Å; K217-I219 VanDerWaalsContact C-N 3.33Å; K217-I219 PolarHBondContact O-N 3.48Å; K217-G220 WeakPolarHBondContact O-CA 3.28Å; K217-G220 PolarHBondContact O-N 3.44Å |
| 218 | E | 95.3 | Very high | 95.4 | Very high | 48 Ų | 48 | 66.9 Ų | 66.9 | 22% | 0.224 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -35.9 | -178.5 | -66.9 | 175.4 | 173 | 0 | 0 | 112.6 | R214 W215 G220 E221 F265 | R214-E218 WeakPolarHBondContact CD-OE1 3.4Å; R214-E218 HydrophobicContact CG-CG 4.3Å; R214-E218 VanDerWaalsContact CG-OE1 3.31Å; R214-E218 WeakPolarHBondContact CG-OE1 3.46Å; R214-E218 IonicContact NE-OE1 2.74Å; R214-E218 PolarHBondContact O-N 3.31Å; R214-E218 VanDerWaalsContact O-N 3.07Å; W215-E218 PolarHBondContact O-N 3.21Å; E218-G220 PolarHBondContact O-N 3.35Å; E218-E221 WeakPolarHBondContact O-CB 3.43Å; E218-E221 PolarHBondContact O-N 3.31Å; E218-F265 HydrophobicContact CB-CD2 4.34Å; E218-F265 HydrophobicContact CB-CE2 3.58Å; E218-F265 HydrophobicContact CB-CZ 3.91Å; E218-F265 VanDerWaalsContact OE2-CZ 3.23Å; E218-F265 WeakPolarHBondContact OE2-CZ 3.39Å |
| 219 | I | 95.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 69.5 Ų | 69.5 | 0% | 0 | 34% | 0.344 | C | S | . | . | G | 310 helix | trans | -57.5 | -36.1 | 173 | -71.3 | 165.4 | 0 | 0 | 0 | 111 | W215 K217 E221 I222 R258 Q261 A262 F265 F266 | W215-I219 WeakPolarHBondContact O-CB 3.41Å; W215-I219 WeakPolarHBondContact O-CD1 3.4Å; W215-I219 WeakPolarHBondContact O-CG1 3.36Å; W215-I219 PolarHBondContact O-N 3.04Å; K217-I219 VanDerWaalsContact C-N 3.33Å; K217-I219 PolarHBondContact O-N 3.48Å; I219-E221 PolarHBondContact O-N 2.81Å; I219-I222 PolarHBondContact O-N 3.33Å; I219-R258 HydrophobicContact CG2-CG 4.41Å; I219-Q261 HydrophobicContact CG2-CB 4.04Å; I219-A262 HydrophobicContact CD1-CB 4.01Å; I219-A262 HydrophobicContact CG1-CB 4.35Å; I219-A262 HydrophobicContact CG2-CB 4.02Å; I219-F265 HydrophobicContact CD1-CD1 4.41Å; I219-F265 HydrophobicContact CG1-CB 4.13Å; I219-F265 HydrophobicContact CG1-CD1 3.71Å; I219-F265 HydrophobicContact CG1-CE1 4.3Å; I219-F265 HydrophobicContact CG1-CG 3.93Å; I219-F266 HydrophobicContact CD1-CE2 3.98Å; I219-F266 HydrophobicContact CD1-CZ 4.1Å |
| 220 | G | 94.1 | Very high | 95.8 | Very high | 44 Ų | 44 | 70.7 Ų | 70.7 | 45% | 0.454 | 35% | 0.347 | S | S | . | . | G | 310 helix | trans | -70.8 | -15.6 | 178.6 | 0 | 0 | 0 | 0 | 0 | 114.3 | K217 E218 | K217-G220 WeakPolarHBondContact O-CA 3.28Å; K217-G220 PolarHBondContact O-N 3.44Å; E218-G220 PolarHBondContact O-N 3.35Å |
| 221 | E | 95.9 | Very high | 95.9 | Very high | 151 Ų | 151 | 63.5 Ų | 63.5 | 71% | 0.706 | 31% | 0.314 | S | S | * | . | G | 310 helix | trans | -87.1 | -13.1 | 178.6 | -59.5 | 178.6 | 168.5 | 0 | 0 | 112.4 | E218 I219 T223 | E218-E221 WeakPolarHBondContact O-CB 3.43Å; E218-E221 PolarHBondContact O-N 3.31Å; I219-E221 PolarHBondContact O-N 2.81Å; E221-T223 PolarHBondContact O-N 3.13Å |
| 222 | I | 97 | Very high | 96.1 | Very high | 13 Ų | 13 | 62.4 Ų | 62.4 | 7% | 0.067 | 31% | 0.309 | C | S | . | . | trans | -64 | 124.5 | 176.1 | -62.7 | -60.1 | 0 | 0 | 0 | 110.1 | I219 Q261 A264 F265 R269 V272 | I219-I222 PolarHBondContact O-N 3.33Å; I222-Q261 HydrophobicContact CB-CB 3.94Å; I222-Q261 HydrophobicContact CB-CG 4.03Å; I222-Q261 HydrophobicContact CG2-CB 4.1Å; I222-Q261 HydrophobicContact CG2-CG 4.03Å; I222-Q261 PolarHBondContact O-NE2 3.07Å; I222-A264 HydrophobicContact CG2-CB 4.02Å; I222-F265 HydrophobicContact CD1-CB 4.11Å; I222-F265 HydrophobicContact CD1-CD2 4.22Å; I222-F265 HydrophobicContact CG1-CB 3.9Å; I222-F265 HydrophobicContact CG1-CD2 4.46Å; I222-R269 VanDerWaalsContact CD1-O 3.23Å; I222-R269 WeakPolarHBondContact CD1-O 3.42Å; I222-V272 HydrophobicContact CG2-CG2 4.02Å | ||
| 223 | T | 97.3 | Very high | 96.2 | Very high | 80 Ų | 80 | 64.7 Ų | 64.7 | 49% | 0.491 | 32% | 0.32 | S | S | . | . | B | Isolated β-bridge | trans | -77 | 148.6 | -178 | 59.1 | 0 | 0 | 0 | 0 | 111.8 | E221 P225 S270 A271 V272 | E221-T223 PolarHBondContact O-N 3.13Å; T223-P225 WeakPolarHBondContact O-CD 3.36Å; T223-S270 PolarHBondContact N-O 3.06Å; T223-S270 PolarHBondContact OG1-O 3.14Å; T223-A271 WeakPolarHBondContact O-CA 3.47Å; T223-A271 WeakPolarHBondContact OG1-CB 3.36Å; T223-V272 PolarHBondContact O-N 3.28Å |
| 224 | L | 97.3 | Very high | 96.3 | Very high | 49 Ų | 49 | 62.2 Ų | 62.2 | 26% | 0.257 | 31% | 0.309 | S | S | . | . | trans | -102.7 | 103.4 | 166.9 | 177.7 | 64.3 | 0 | 0 | 0 | 107.8 | V228 F229 I232 I257 V272 | L224-V228 HydrophobicContact CD1-CB 3.97Å; L224-V228 HydrophobicContact CD1-CG1 3.74Å; L224-F229 HydrophobicContact CD2-CB 4.11Å; L224-F229 HydrophobicContact CD2-CD2 4.18Å; L224-F229 HydrophobicContact CG-CB 4.26Å; L224-I232 HydrophobicContact CD1-CD1 4.02Å; L224-I232 HydrophobicContact CD2-CD1 4.48Å; L224-I257 HydrophobicContact CD2-CG2 4.45Å; L224-V272 HydrophobicContact CD1-CB 4.15Å; L224-V272 HydrophobicContact CD1-CG1 4.42Å; L224-V272 HydrophobicContact CD1-CG2 4.4Å | ||
| 225 | P | 96.9 | Very high | 96.4 | Very high | 32 Ų | 32 | 57.5 Ų | 57.5 | 21% | 0.208 | 29% | 0.291 | C | S | . | . | trans | -63.7 | 147 | 177.8 | -23.1 | 35 | 0 | 0 | 0 | 112.3 | T223 H227 V228 F229 A271 V272 | T223-P225 WeakPolarHBondContact O-CD 3.36Å; P225-H227 VanDerWaalsContact C-N 3.3Å; P225-H227 PolarHBondContact O-N 2.94Å; P225-V228 HydrophobicContact CB-CG2 4.32Å; P225-V228 HydrophobicContact CG-CG2 4.37Å; P225-V228 PolarHBondContact O-N 3.22Å; P225-F229 PolarHBondContact O-N 3.34Å; P225-A271 HydrophobicContact CG-CB 3.77Å; P225-V272 WeakPolarHBondContact CD-O 3.3Å | ||
| 226 | D | 97.1 | Very high | 96.4 | Very high | 134 Ų | 134 | 61.5 Ų | 61.5 | 72% | 0.717 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -53.8 | -43.5 | -178.1 | -64.1 | -22.8 | 0 | 0 | 0 | 112.8 | V228 F229 E230 | D226-V228 VanDerWaalsContact C-N 3.26Å; D226-V228 PolarHBondContact O-N 3.46Å; D226-F229 WeakPolarHBondContact O-CB 3.37Å; D226-F229 PolarHBondContact O-N 3.49Å; D226-F229 VanDerWaalsContact O-N 3.12Å; D226-E230 WeakPolarHBondContact O-CG 3.36Å; D226-E230 PolarHBondContact O-N 2.97Å |
| 227 | H | 93.9 | Very high | 96.4 | Very high | 100 Ų | 100 | 63.8 Ų | 63.8 | 46% | 0.463 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -63 | -31 | 179.3 | 75.5 | -84.6 | 0 | 0 | 0 | 113.3 | P225 L231 | P225-H227 VanDerWaalsContact C-N 3.3Å; P225-H227 PolarHBondContact O-N 2.94Å; H227-L231 WeakPolarHBondContact O-CG 3.26Å; H227-L231 PolarHBondContact O-N 3.03Å |
| 228 | V | 97 | Very high | 96.3 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -76.9 | -38.5 | 175.3 | -177.5 | 0 | 0 | 0 | 0 | 110.2 | L224 P225 D226 E230 L231 I232 V272 P274 L277 | L224-V228 HydrophobicContact CD1-CB 3.97Å; L224-V228 HydrophobicContact CD1-CG1 3.74Å; P225-V228 HydrophobicContact CB-CG2 4.32Å; P225-V228 HydrophobicContact CG-CG2 4.37Å; P225-V228 PolarHBondContact O-N 3.22Å; D226-V228 VanDerWaalsContact C-N 3.26Å; D226-V228 PolarHBondContact O-N 3.46Å; V228-E230 VanDerWaalsContact C-N 3.32Å; V228-E230 PolarHBondContact O-N 3Å; V228-L231 WeakPolarHBondContact O-CB 3.29Å; V228-L231 PolarHBondContact O-N 3.43Å; V228-I232 HydrophobicContact CG1-CD1 4.27Å; V228-I232 WeakPolarHBondContact O-CG1 3.44Å; V228-I232 PolarHBondContact O-N 3Å; V228-V272 HydrophobicContact CG1-CG1 3.96Å; V228-P274 HydrophobicContact CG2-CG 4.32Å; V228-L277 HydrophobicContact CG1-CD1 4.31Å; V228-L277 HydrophobicContact CG1-CD2 3.91Å; V228-L277 HydrophobicContact CG1-CG 4.32Å |
| 229 | F | 97.9 | Very high | 96.3 | Very high | 93 Ų | 93 | 56.6 Ų | 56.6 | 41% | 0.408 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -58.1 | -44.1 | 172.3 | 171.4 | -96 | 0 | 0 | 0 | 111.7 | L224 P225 D226 L231 I232 F233 | L224-F229 HydrophobicContact CD2-CB 4.11Å; L224-F229 HydrophobicContact CD2-CD2 4.18Å; L224-F229 HydrophobicContact CG-CB 4.26Å; P225-F229 PolarHBondContact O-N 3.34Å; D226-F229 WeakPolarHBondContact O-CB 3.37Å; D226-F229 PolarHBondContact O-N 3.49Å; D226-F229 VanDerWaalsContact O-N 3.12Å; F229-L231 VanDerWaalsContact C-N 3.3Å; F229-L231 PolarHBondContact O-N 3.29Å; F229-I232 WeakPolarHBondContact O-CB 3.18Å; F229-I232 PolarHBondContact O-N 3.4Å; F229-I232 VanDerWaalsContact O-N 3.14Å; F229-F233 HydrophobicContact CE1-CB 4.4Å; F229-F233 HydrophobicContact CZ-CB 4.45Å; F229-F233 WeakPolarHBondContact O-CB 3.31Å; F229-F233 PolarHBondContact O-N 2.87Å |
| 230 | E | 97.4 | Very high | 96.1 | Very high | 108 Ų | 108 | 62.5 Ų | 62.5 | 51% | 0.505 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60 | -37.9 | 176.5 | -69.8 | -57.4 | 147 | 0 | 0 | 112.4 | D226 V228 F233 M234 | D226-E230 WeakPolarHBondContact O-CG 3.36Å; D226-E230 PolarHBondContact O-N 2.97Å; V228-E230 VanDerWaalsContact C-N 3.32Å; V228-E230 PolarHBondContact O-N 3Å; E230-F233 PolarHBondContact O-N 3.29Å; E230-M234 VanDerWaalsContact O-CB 3.25Å; E230-M234 WeakPolarHBondContact O-CB 3.49Å; E230-M234 PolarHBondContact O-N 3.34Å |
| 231 | L | 97.7 | Very high | 96 | Very high | 12 Ų | 12 | 68.1 Ų | 68.1 | 6% | 0.063 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -65.1 | -43.3 | 174.3 | -67 | 169.8 | 0 | 0 | 0 | 111.9 | H227 V228 F229 M234 L235 P274 L277 L301 H305 A306 | H227-L231 WeakPolarHBondContact O-CG 3.26Å; H227-L231 PolarHBondContact O-N 3.03Å; V228-L231 WeakPolarHBondContact O-CB 3.29Å; V228-L231 PolarHBondContact O-N 3.43Å; F229-L231 VanDerWaalsContact C-N 3.3Å; F229-L231 PolarHBondContact O-N 3.29Å; L231-M234 PolarHBondContact O-N 3.49Å; L231-L235 WeakPolarHBondContact O-CB 3.22Å; L231-L235 PolarHBondContact O-N 3.02Å; L231-P274 HydrophobicContact CD1-CB 4.05Å; L231-P274 HydrophobicContact CD1-CG 4.16Å; L231-L277 HydrophobicContact CB-CD1 3.64Å; L231-L277 HydrophobicContact CD1-CD1 3.82Å; L231-L277 HydrophobicContact CG-CD1 4.38Å; L231-L301 HydrophobicContact CB-CD1 4.16Å; L231-L301 HydrophobicContact CD2-CD1 3.88Å; L231-L301 HydrophobicContact CD2-CG 4.47Å; L231-H305 HydrophobicContact CD2-CB 3.63Å; L231-A306 HydrophobicContact CD1-CB 4.45Å |
| 232 | I | 97.5 | Very high | 95.9 | Very high | 12 Ų | 12 | 63.8 Ų | 63.8 | 6% | 0.062 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.9 | -44 | 176.2 | -67.3 | 169 | 0 | 0 | 0 | 110.5 | L224 V228 F229 L235 R236 W253 I257 L260 L277 | L224-I232 HydrophobicContact CD1-CD1 4.02Å; L224-I232 HydrophobicContact CD2-CD1 4.48Å; V228-I232 HydrophobicContact CG1-CD1 4.27Å; V228-I232 WeakPolarHBondContact O-CG1 3.44Å; V228-I232 PolarHBondContact O-N 3Å; F229-I232 WeakPolarHBondContact O-CB 3.18Å; F229-I232 PolarHBondContact O-N 3.4Å; F229-I232 VanDerWaalsContact O-N 3.14Å; I232-L235 PolarHBondContact O-N 3.47Å; I232-R236 PolarHBondContact O-N 2.98Å; I232-W253 HydrophobicContact CG2-CE3 3.92Å; I232-W253 HydrophobicContact CG2-CZ3 3.67Å; I232-I257 HydrophobicContact CD1-CG1 4.41Å; I232-L260 HydrophobicContact CD1-CD1 4.11Å; I232-L277 HydrophobicContact CD1-CD2 3.86Å; I232-L277 HydrophobicContact CG1-CD2 3.54Å |
| 233 | F | 97.4 | Very high | 95.3 | Very high | 76 Ų | 76 | 68.9 Ų | 68.9 | 33% | 0.333 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -69.1 | -38.3 | -179.6 | -169.9 | -114.5 | 0 | 0 | 0 | 112 | F229 E230 R236 Q237 | F229-F233 HydrophobicContact CE1-CB 4.4Å; F229-F233 HydrophobicContact CZ-CB 4.45Å; F229-F233 WeakPolarHBondContact O-CB 3.31Å; F229-F233 PolarHBondContact O-N 2.87Å; E230-F233 PolarHBondContact O-N 3.29Å; F233-R236 WeakPolarHBondContact O-CB 3.5Å; F233-R236 PolarHBondContact O-N 3.46Å; F233-Q237 HydrophobicContact CD1-CG 4.5Å; F233-Q237 HydrophobicContact CE1-CG 4.25Å; F233-Q237 HydrophobicContact CZ-CG 4.39Å; F233-Q237 WeakPolarHBondContact O-CG 3.22Å; F233-Q237 PolarHBondContact O-N 3.27Å |
| 234 | M | 96 | Very high | 94.7 | Very high | 62 Ų | 62 | 69.9 Ų | 69.9 | 31% | 0.305 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -59 | -47.6 | 171.1 | -179.3 | -176.6 | -61.9 | 0 | 0 | 111.3 | E230 L231 R236 Q237 Q238 L301 H305 | E230-M234 VanDerWaalsContact O-CB 3.25Å; E230-M234 WeakPolarHBondContact O-CB 3.49Å; E230-M234 PolarHBondContact O-N 3.34Å; L231-M234 PolarHBondContact O-N 3.49Å; M234-R236 VanDerWaalsContact C-N 3.34Å; M234-R236 PolarHBondContact O-N 3.39Å; M234-Q237 PolarHBondContact O-N 3.21Å; M234-Q238 WeakPolarHBondContact O-CG 3.2Å; M234-Q238 PolarHBondContact O-N 2.86Å; M234-L301 HydrophobicContact SD-CD1 4.37Å; M234-H305 HydrophobicContact SD-CB 4.26Å |
| 235 | L | 96.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 68.8 Ų | 68.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.4 | -47.1 | 176.5 | 178.2 | 63.9 | 0 | 0 | 0 | 110.9 | L231 I232 Q237 Q238 L239 W253 L280 L284 Q297 I298 L301 | L231-L235 WeakPolarHBondContact O-CB 3.22Å; L231-L235 PolarHBondContact O-N 3.02Å; I232-L235 PolarHBondContact O-N 3.47Å; L235-Q237 PolarHBondContact O-N 2.96Å; L235-Q238 PolarHBondContact O-N 3.39Å; L235-L239 HydrophobicContact CD1-CD1 4.35Å; L235-L239 HydrophobicContact CD1-CG 4.33Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.34Å; L235-L239 PolarHBondContact O-N 2.95Å; L235-W253 HydrophobicContact CD2-CH2 4.14Å; L235-W253 HydrophobicContact CG-CH2 4.3Å; L235-L280 HydrophobicContact CD2-CD1 3.76Å; L235-L284 HydrophobicContact CD2-CD1 3.89Å; L235-Q297 HydrophobicContact CD1-CB 3.76Å; L235-I298 HydrophobicContact CD1-CD1 4.48Å; L235-I298 HydrophobicContact CD2-CD1 3.68Å; L235-L301 HydrophobicContact CB-CD2 4.34Å; L235-L301 HydrophobicContact CD2-CD2 4.39Å |
| 236 | R | 96.2 | Very high | 93.8 | Very high | 86 Ų | 86 | 68.2 Ų | 68.2 | 33% | 0.325 | 34% | 0.341 | S | S | . | . | H | α-helix | trans | -54.9 | -49.8 | 174.9 | -178.9 | -176.4 | 178.4 | 154.8 | 11.6 | 111.7 | I232 F233 M234 Q238 L239 D240 D250 W253 | I232-R236 PolarHBondContact O-N 2.98Å; F233-R236 WeakPolarHBondContact O-CB 3.5Å; F233-R236 PolarHBondContact O-N 3.46Å; M234-R236 VanDerWaalsContact C-N 3.34Å; M234-R236 PolarHBondContact O-N 3.39Å; R236-Q238 VanDerWaalsContact C-N 3.32Å; R236-Q238 PolarHBondContact O-N 3.21Å; R236-L239 PolarHBondContact O-N 3.33Å; R236-D240 VanDerWaalsContact O-CG 3.28Å; R236-D240 PolarHBondContact O-N 2.96Å; R236-D250 IonicContact CZ-OD1 3.63Å; R236-D250 IonicContact NH1-OD1 2.95Å; R236-D250 PolarHBondContact NH1-OD1 3.46Å; R236-D250 IonicContact NH2-OD1 3.23Å; R236-D250 PolarHBondContact NH2-OD1 3.17Å; R236-W253 HydrophobicContact CB-CH2 4.26Å; R236-W253 HydrophobicContact CB-CZ2 3.81Å; R236-W253 HydrophobicContact CG-CZ2 4.17Å |
| 237 | Q | 95.4 | Very high | 93.4 | Very high | 84 Ų | 84 | 71.6 Ų | 71.6 | 39% | 0.393 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -64.6 | -32.9 | 179.3 | -73.2 | -171.8 | -10.3 | 0 | 0 | 113.7 | F233 M234 L235 K241 | F233-Q237 HydrophobicContact CD1-CG 4.5Å; F233-Q237 HydrophobicContact CE1-CG 4.25Å; F233-Q237 HydrophobicContact CZ-CG 4.39Å; F233-Q237 WeakPolarHBondContact O-CG 3.22Å; F233-Q237 PolarHBondContact O-N 3.27Å; M234-Q237 PolarHBondContact O-N 3.21Å; L235-Q237 PolarHBondContact O-N 2.96Å; Q237-K241 WeakPolarHBondContact O-CD 3.1Å; Q237-K241 VanDerWaalsContact O-CG 3.27Å; Q237-K241 WeakPolarHBondContact O-CG 3.39Å; Q237-K241 PolarHBondContact O-N 3.37Å |
| 238 | Q | 93.6 | Very high | 93.4 | Very high | 48 Ų | 48 | 67.7 Ų | 67.7 | 22% | 0.224 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68.6 | -44.1 | 175.5 | -76.7 | 176.4 | -23.5 | 0 | 0 | 110.8 | M234 L235 R236 K241 L242 | M234-Q238 WeakPolarHBondContact O-CG 3.2Å; M234-Q238 PolarHBondContact O-N 2.86Å; L235-Q238 PolarHBondContact O-N 3.39Å; R236-Q238 VanDerWaalsContact C-N 3.32Å; R236-Q238 PolarHBondContact O-N 3.21Å; Q238-K241 PolarHBondContact O-N 2.97Å; Q238-L242 WeakPolarHBondContact O-CG 3.38Å; Q238-L242 PolarHBondContact O-N 3.34Å |
| 239 | L | 94 | Very high | 93.2 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.026 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -61.6 | -45.7 | 175.2 | -64.7 | 176.2 | 0 | 0 | 0 | 111.4 | L235 R236 K241 L242 A245 W253 L284 I294 Q297 | L235-L239 HydrophobicContact CD1-CD1 4.35Å; L235-L239 HydrophobicContact CD1-CG 4.33Å; L235-L239 HydrophobicContact CG-CD1 4.22Å; L235-L239 VanDerWaalsContact O-CG 3.31Å; L235-L239 WeakPolarHBondContact O-CG 3.34Å; L235-L239 PolarHBondContact O-N 2.95Å; R236-L239 PolarHBondContact O-N 3.33Å; L239-K241 PolarHBondContact O-N 2.86Å; L239-L242 PolarHBondContact O-N 3.42Å; L239-A245 HydrophobicContact CB-CB 4.22Å; L239-A245 HydrophobicContact CD2-CB 4.36Å; L239-A245 WeakPolarHBondContact O-CB 3.38Å; L239-W253 HydrophobicContact CD1-CZ2 4.38Å; L239-L284 HydrophobicContact CD1-CD1 4.28Å; L239-I294 HydrophobicContact CD1-CD1 3.74Å; L239-I294 HydrophobicContact CD2-CD1 3.41Å; L239-I294 VanDerWaalsContact CD2-CD1 3.41Å; L239-I294 HydrophobicContact CG-CD1 4.24Å; L239-Q297 HydrophobicContact CD2-CG 4.03Å |
| 240 | D | 92.8 | Very high | 93 | Very high | 123 Ų | 123 | 68.9 Ų | 68.9 | 66% | 0.658 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -61.4 | -20 | 179.1 | -68.9 | -22.2 | 0 | 0 | 0 | 113.8 | R236 | R236-D240 VanDerWaalsContact O-CG 3.28Å; R236-D240 PolarHBondContact O-N 2.96Å |
| 241 | K | 92.3 | Very high | 92.8 | Very high | 163 Ų | 163 | 68.1 Ų | 68.1 | 71% | 0.709 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -90.9 | -17.7 | 178.3 | -72.3 | 171.2 | -172.5 | 173.9 | 0 | 113.7 | Q237 Q238 L239 | Q237-K241 WeakPolarHBondContact O-CD 3.1Å; Q237-K241 VanDerWaalsContact O-CG 3.27Å; Q237-K241 WeakPolarHBondContact O-CG 3.39Å; Q237-K241 PolarHBondContact O-N 3.37Å; Q238-K241 PolarHBondContact O-N 2.97Å; L239-K241 PolarHBondContact O-N 2.86Å |
| 242 | L | 91.9 | Very high | 92.6 | Very high | 60 Ų | 60 | 67.8 Ų | 67.8 | 31% | 0.314 | 33% | 0.33 | S | S | . | . | trans | -89.7 | 128.5 | -175.4 | -72.7 | 164.9 | 0 | 0 | 0 | 109.6 | Q238 L239 D244 A245 L293 Q297 | Q238-L242 WeakPolarHBondContact O-CG 3.38Å; Q238-L242 PolarHBondContact O-N 3.34Å; L239-L242 PolarHBondContact O-N 3.42Å; L242-D244 VanDerWaalsContact C-N 3.29Å; L242-D244 PolarHBondContact O-N 3.38Å; L242-A245 HydrophobicContact CB-CB 3.97Å; L242-A245 WeakPolarHBondContact O-CB 3.41Å; L242-A245 PolarHBondContact O-N 3.06Å; L242-L293 HydrophobicContact CD1-CD1 4.19Å; L242-L293 HydrophobicContact CD1-CD2 4.44Å; L242-Q297 HydrophobicContact CD1-CG 4.18Å | ||
| 243 | P | 85.3 | Confident | 92.6 | Very high | 119 Ų | 119 | 68.1 Ų | 68.1 | 77% | 0.773 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -30.2 | -174.4 | 25.8 | -34.1 | 0 | 0 | 0 | 113.4 | ||
| 244 | D | 84.9 | Confident | 92.5 | Very high | 102 Ų | 102 | 72.2 Ų | 72.2 | 55% | 0.545 | 35% | 0.349 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.6 | 12.9 | -178.4 | -56.9 | -40 | 0 | 0 | 0 | 112.8 | L242 | L242-D244 VanDerWaalsContact C-N 3.29Å; L242-D244 PolarHBondContact O-N 3.38Å |
| 245 | A | 87.6 | Confident | 92.5 | Very high | 25 Ų | 25 | 72.4 Ų | 72.4 | 21% | 0.207 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -75.7 | 141.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 111.7 | L239 L242 L293 | L239-A245 HydrophobicContact CB-CB 4.22Å; L239-A245 HydrophobicContact CD2-CB 4.36Å; L239-A245 WeakPolarHBondContact O-CB 3.38Å; L242-A245 HydrophobicContact CB-CB 3.97Å; L242-A245 WeakPolarHBondContact O-CB 3.41Å; L242-A245 PolarHBondContact O-N 3.06Å; A245-L293 HydrophobicContact CB-CD2 4.13Å |
| 246 | P | 87.9 | Confident | 92.5 | Very high | 20 Ų | 20 | 72.4 Ų | 72.4 | 13% | 0.13 | 35% | 0.348 | C | S | . | . | P | Polyproline II helix | trans | -69.5 | 143.4 | 177.3 | 31.1 | -35.3 | 0 | 0 | 0 | 110.4 | V248 L284 I294 | P246-V248 PolarHBondContact O-N 2.87Å; P246-L284 WeakPolarHBondContact CG-O 3.44Å; P246-I294 HydrophobicContact CG-CD1 4.17Å; P246-I294 HydrophobicContact CG-CG1 4.41Å |
| 247 | Y | 89.1 | Confident | 92.6 | Very high | 205 Ų | 205 | 70.3 Ų | 70.3 | 80% | 0.804 | 34% | 0.342 | S | S | * | . | P | Polyproline II helix | trans | -65.3 | 120.8 | 166.8 | 173.1 | -103.6 | 0 | 0 | 0 | 109.9 | ||
| 248 | V | 93.3 | Very high | 92.6 | Very high | 18 Ų | 18 | 69.4 Ų | 69.4 | 11% | 0.109 | 34% | 0.336 | C | S | . | . | trans | -110.6 | 116 | 176.2 | -176.2 | 0 | 0 | 0 | 0 | 109.4 | P246 R252 W253 L284 | P246-V248 PolarHBondContact O-N 2.87Å; V248-R252 HydrophobicContact CG1-CB 4.02Å; V248-R252 HydrophobicContact CG1-CG 3.91Å; V248-W253 HydrophobicContact CG1-CD2 4.27Å; V248-W253 HydrophobicContact CG1-CG 4.14Å; V248-W253 HydrophobicContact CG1-CZ2 4.46Å; V248-W253 VanDerWaalsContact CG1-NE1 3.34Å; V248-L284 HydrophobicContact CG1-CD2 3.74Å; V248-L284 HydrophobicContact CG2-CB 4.41Å; V248-L284 HydrophobicContact CG2-CD2 4.31Å | ||
| 249 | S | 92.8 | Very high | 92.8 | Very high | 15 Ų | 15 | 67.2 Ų | 67.2 | 11% | 0.105 | 33% | 0.325 | C | S | . | . | trans | -65.5 | 149 | 178.4 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | D169 R251 R252 W253 | D169-S249 PolarHBondContact OD1-OG 3.38Å; D169-S249 PolarHBondContact OD2-OG 3Å; S249-R251 PolarHBondContact O-N 3.42Å; S249-R252 WeakPolarHBondContact O-CB 3.4Å; S249-R252 PolarHBondContact O-N 3.45Å; S249-R252 WeakPolarHBondContact OG-CB 3.27Å; S249-R252 PolarHBondContact OG-N 3.29Å; S249-R252 VanDerWaalsContact OG-N 3.1Å; S249-W253 PolarHBondContact O-N 3.35Å; S249-W253 VanDerWaalsContact O-N 3.12Å | ||
| 250 | D | 93.5 | Very high | 93 | Very high | 103 Ų | 103 | 67 Ų | 67 | 55% | 0.551 | 32% | 0.324 | S | S | * | . | H | α-helix | trans | -58.6 | -30.1 | 173.8 | -70 | -35.3 | 0 | 0 | 0 | 111.8 | R236 W253 K254 | R236-D250 IonicContact CZ-OD1 3.63Å; R236-D250 IonicContact NH1-OD1 2.95Å; R236-D250 PolarHBondContact NH1-OD1 3.46Å; R236-D250 IonicContact NH2-OD1 3.23Å; R236-D250 PolarHBondContact NH2-OD1 3.17Å; D250-W253 PolarHBondContact O-N 3.47Å; D250-K254 PolarHBondContact O-N 2.89Å |
| 251 | R | 92.4 | Very high | 93.2 | Very high | 92 Ų | 92 | 62.7 Ų | 62.7 | 35% | 0.347 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60 | -49.2 | 172.8 | 176.6 | -171.4 | 171.5 | 138.2 | 3.4 | 111 | N132 S249 K254 K255 | N132-R251 VanDerWaalsContact OD1-CZ 3.26Å; N132-R251 PolarHBondContact OD1-NH1 3.5Å; N132-R251 PolarHBondContact OD1-NH2 3.47Å; S249-R251 PolarHBondContact O-N 3.42Å; R251-K254 PolarHBondContact O-N 3.45Å; R251-K255 HydrophobicContact CG-CG 4.49Å; R251-K255 WeakPolarHBondContact O-CB 3.35Å; R251-K255 WeakPolarHBondContact O-CG 3.18Å; R251-K255 PolarHBondContact O-N 3.06Å |
| 252 | R | 95.2 | Very high | 93.4 | Very high | 5 Ų | 5 | 54.9 Ų | 54.9 | 2% | 0.019 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -62.2 | -43 | 179.8 | 179.3 | 166.3 | -75.8 | -91.5 | -11 | 111 | Y168 D169 M171 L172 R174 V248 S249 K254 K255 A256 C283 | Y168-R252 PolarHBondContact O-NH2 3.46Å; D169-R252 VanDerWaalsContact CA-NH2 3.28Å; D169-R252 PolarHBondContact O-NH2 2.82Å; D169-R252 IonicContact OD1-CZ 3.91Å; D169-R252 IonicContact OD1-NE 3.33Å; D169-R252 PolarHBondContact OD1-NE 2.96Å; D169-R252 VanDerWaalsContact OD1-NE 3.08Å; D169-R252 IonicContact OD1-NH2 3.01Å; M171-R252 PolarHBondContact O-NH1 2.9Å; M171-R252 PolarHBondContact O-NH2 3.46Å; L172-R252 HydrophobicContact CD1-CG 4.37Å; L172-R252 PolarHBondContact O-NH1 2.84Å; R174-R252 VanDerWaalsContact CZ-NH1 3.31Å; V248-R252 HydrophobicContact CG1-CB 4.02Å; V248-R252 HydrophobicContact CG1-CG 3.91Å; S249-R252 WeakPolarHBondContact O-CB 3.4Å; S249-R252 PolarHBondContact O-N 3.45Å; S249-R252 WeakPolarHBondContact OG-CB 3.27Å; S249-R252 PolarHBondContact OG-N 3.29Å; S249-R252 VanDerWaalsContact OG-N 3.1Å; R252-K254 PolarHBondContact O-N 3.46Å; R252-K255 PolarHBondContact O-N 3.26Å; R252-A256 WeakPolarHBondContact O-CB 3.37Å; R252-A256 PolarHBondContact O-N 3.45Å; R252-C283 WeakPolarHBondContact CD-O 3.31Å; R252-C283 PolarHBondContact NH1-O 2.8Å |
| 253 | W | 96.4 | Very high | 93.6 | Very high | 20 Ų | 20 | 52.8 Ų | 52.8 | 8% | 0.076 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -56.5 | -50.4 | 172.5 | -79.3 | 111.9 | 0 | 0 | 0 | 112.7 | I232 L235 R236 L239 V248 S249 D250 K255 A256 I257 L280 L284 | I232-W253 HydrophobicContact CG2-CE3 3.92Å; I232-W253 HydrophobicContact CG2-CZ3 3.67Å; L235-W253 HydrophobicContact CD2-CH2 4.14Å; L235-W253 HydrophobicContact CG-CH2 4.3Å; R236-W253 HydrophobicContact CB-CH2 4.26Å; R236-W253 HydrophobicContact CB-CZ2 3.81Å; R236-W253 HydrophobicContact CG-CZ2 4.17Å; L239-W253 HydrophobicContact CD1-CZ2 4.38Å; V248-W253 HydrophobicContact CG1-CD2 4.27Å; V248-W253 HydrophobicContact CG1-CG 4.14Å; V248-W253 HydrophobicContact CG1-CZ2 4.46Å; V248-W253 VanDerWaalsContact CG1-NE1 3.34Å; S249-W253 PolarHBondContact O-N 3.35Å; S249-W253 VanDerWaalsContact O-N 3.12Å; D250-W253 PolarHBondContact O-N 3.47Å; W253-K255 VanDerWaalsContact C-N 3.28Å; W253-K255 PolarHBondContact O-N 3.41Å; W253-A256 PolarHBondContact O-N 3.34Å; W253-I257 WeakPolarHBondContact O-CG1 3.44Å; W253-I257 PolarHBondContact O-N 3Å; W253-L280 HydrophobicContact CZ3-CD1 4.3Å; W253-L284 HydrophobicContact CE3-CD2 4.44Å; W253-L284 HydrophobicContact CH2-CD1 3.58Å; W253-L284 HydrophobicContact CH2-CD2 4.31Å; W253-L284 HydrophobicContact CZ2-CD1 4.18Å; W253-L284 HydrophobicContact CZ2-CD2 4.43Å; W253-L284 HydrophobicContact CZ3-CD1 3.97Å; W253-L284 HydrophobicContact CZ3-CD2 4.3Å |
| 254 | K | 96 | Very high | 94 | Very high | 161 Ų | 161 | 47.1 Ų | 47.1 | 70% | 0.7 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -59.4 | -40.4 | 178.3 | -175.2 | 176.7 | -177.2 | 175.8 | 0 | 112.3 | D250 R251 R252 R258 | D250-K254 PolarHBondContact O-N 2.89Å; R251-K254 PolarHBondContact O-N 3.45Å; R252-K254 PolarHBondContact O-N 3.46Å; K254-R258 PolarHBondContact O-N 2.89Å |
| 255 | K | 95.3 | Very high | 94.4 | Very high | 67 Ų | 67 | 43.4 Ų | 43.4 | 29% | 0.291 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.7 | -39.8 | 179.5 | -77.1 | -73.4 | -169.5 | 159 | 0 | 112.6 | E40 L172 R251 R252 W253 I257 R258 L259 | E40-K255 WeakPolarHBondContact OE1-CD 3.48Å; E40-K255 IonicContact OE1-NZ 3.05Å; E40-K255 PolarHBondContact OE1-NZ 3.06Å; E40-K255 WeakPolarHBondContact OE2-CD 3.42Å; E40-K255 IonicContact OE2-NZ 3.51Å; E40-K255 PolarHBondContact OE2-NZ 3Å; L172-K255 HydrophobicContact CD1-CB 3.96Å; L172-K255 HydrophobicContact CD2-CB 4.15Å; R251-K255 HydrophobicContact CG-CG 4.49Å; R251-K255 WeakPolarHBondContact O-CB 3.35Å; R251-K255 WeakPolarHBondContact O-CG 3.18Å; R251-K255 PolarHBondContact O-N 3.06Å; R252-K255 PolarHBondContact O-N 3.26Å; W253-K255 VanDerWaalsContact C-N 3.28Å; W253-K255 PolarHBondContact O-N 3.41Å; K255-I257 VanDerWaalsContact C-N 3.33Å; K255-I257 PolarHBondContact O-N 3.4Å; K255-R258 WeakPolarHBondContact O-CB 3.5Å; K255-R258 PolarHBondContact O-N 3.45Å; K255-L259 PolarHBondContact O-N 2.93Å; K255-L259 VanDerWaalsContact O-N 3.09Å |
| 256 | A | 97.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 172.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | L172 R252 W253 R258 L259 L260 L280 C283 | L172-A256 HydrophobicContact CD1-CB 4.29Å; R252-A256 WeakPolarHBondContact O-CB 3.37Å; R252-A256 PolarHBondContact O-N 3.45Å; W253-A256 PolarHBondContact O-N 3.34Å; A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 2.85Å; A256-L259 WeakPolarHBondContact O-CA 3.42Å; A256-L259 VanDerWaalsContact O-CB 3.26Å; A256-L259 WeakPolarHBondContact O-CB 3.5Å; A256-L259 PolarHBondContact O-N 3.17Å; A256-L260 WeakPolarHBondContact O-CG 3.43Å; A256-L260 PolarHBondContact O-N 3.23Å; A256-L280 HydrophobicContact CB-CD2 3.72Å; A256-C283 HydrophobicContact CB-CB 4.3Å |
| 257 | I | 97.2 | Very high | 94.8 | Very high | 41 Ų | 41 | 43.6 Ų | 43.6 | 21% | 0.21 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58 | -42.3 | 175.4 | -68 | 163.5 | 0 | 0 | 0 | 111.5 | L224 I232 W253 K255 L259 L260 Q261 | L224-I257 HydrophobicContact CD2-CG2 4.45Å; I232-I257 HydrophobicContact CD1-CG1 4.41Å; W253-I257 WeakPolarHBondContact O-CG1 3.44Å; W253-I257 PolarHBondContact O-N 3Å; K255-I257 VanDerWaalsContact C-N 3.33Å; K255-I257 PolarHBondContact O-N 3.4Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 2.86Å; I257-L260 WeakPolarHBondContact O-CB 3.47Å; I257-L260 PolarHBondContact O-N 3.45Å; I257-L260 VanDerWaalsContact O-N 3.13Å; I257-Q261 HydrophobicContact CG2-CG 4.49Å; I257-Q261 WeakPolarHBondContact O-CG 3.44Å; I257-Q261 PolarHBondContact O-N 2.88Å |
| 258 | R | 96.5 | Very high | 94.8 | Very high | 66 Ų | 66 | 35 Ų | 35 | 25% | 0.249 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.8 | -37.8 | 174.3 | -175.7 | -177.7 | 177.8 | 81.3 | 1.9 | 112.1 | Q216 I219 K254 K255 A256 Q261 A262 | Q216-R258 PolarHBondContact O-NH2 3.42Å; I219-R258 HydrophobicContact CG2-CG 4.41Å; K254-R258 PolarHBondContact O-N 2.89Å; K255-R258 WeakPolarHBondContact O-CB 3.5Å; K255-R258 PolarHBondContact O-N 3.45Å; A256-R258 VanDerWaalsContact C-N 3.31Å; A256-R258 PolarHBondContact O-N 2.85Å; R258-Q261 WeakPolarHBondContact O-CB 3.49Å; R258-Q261 PolarHBondContact O-N 3.32Å; R258-A262 PolarHBondContact O-N 3.19Å |
| 259 | L | 97.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.9 Ų | 36.9 | 1% | 0.005 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -65.9 | -40.2 | 174.8 | -169 | 73.7 | 0 | 0 | 0 | 111.8 | L34 S38 L172 I173 K255 A256 I257 A262 S263 C283 | L34-L259 HydrophobicContact CD2-CD1 4Å; L34-L259 HydrophobicContact CD2-CG 4.12Å; L34-L259 HydrophobicContact CG-CD1 3.82Å; L34-L259 HydrophobicContact CG-CG 4.46Å; S38-L259 WeakPolarHBondContact OG-CD1 3.47Å; L172-L259 HydrophobicContact CD2-CB 4.08Å; L172-L259 HydrophobicContact CD2-CD2 4.28Å; I173-L259 HydrophobicContact CD1-CD1 4.04Å; I173-L259 HydrophobicContact CD1-CD2 3.71Å; I173-L259 HydrophobicContact CG1-CD2 3.76Å; K255-L259 PolarHBondContact O-N 2.93Å; K255-L259 VanDerWaalsContact O-N 3.09Å; A256-L259 WeakPolarHBondContact O-CA 3.42Å; A256-L259 VanDerWaalsContact O-CB 3.26Å; A256-L259 WeakPolarHBondContact O-CB 3.5Å; A256-L259 PolarHBondContact O-N 3.17Å; I257-L259 VanDerWaalsContact C-N 3.27Å; I257-L259 PolarHBondContact O-N 2.86Å; L259-A262 WeakPolarHBondContact O-CB 3.33Å; L259-A262 PolarHBondContact O-N 3.4Å; L259-S263 PolarHBondContact O-N 3.4Å; L259-C283 VanDerWaalsContact CD2-SG 3.6Å |
| 260 | L | 97.7 | Very high | 94.6 | Very high | 1 Ų | 1 | 40.7 Ų | 40.7 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -62.7 | -42.4 | 173.9 | -56.5 | -176.3 | 0 | 0 | 0 | 111.8 | I232 A256 I257 A262 S263 A264 V272 D276 L277 L279 L280 | I232-L260 HydrophobicContact CD1-CD1 4.11Å; A256-L260 WeakPolarHBondContact O-CG 3.43Å; A256-L260 PolarHBondContact O-N 3.23Å; I257-L260 WeakPolarHBondContact O-CB 3.47Å; I257-L260 PolarHBondContact O-N 3.45Å; I257-L260 VanDerWaalsContact O-N 3.13Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.24Å; L260-S263 WeakPolarHBondContact O-CB 3.32Å; L260-S263 PolarHBondContact O-N 3.38Å; L260-A264 PolarHBondContact O-N 2.99Å; L260-V272 HydrophobicContact CB-CG1 3.87Å; L260-V272 HydrophobicContact CB-CG2 4.28Å; L260-V272 HydrophobicContact CD1-CG1 4.32Å; L260-D276 HydrophobicContact CB-CB 4.33Å; L260-D276 HydrophobicContact CD2-CB 4.06Å; L260-D276 WeakPolarHBondContact CD2-O 3.5Å; L260-L277 HydrophobicContact CD1-CD2 3.67Å; L260-L279 HydrophobicContact CD2-CB 3.97Å; L260-L279 HydrophobicContact CD2-CD1 4.2Å; L260-L280 HydrophobicContact CD1-CD2 4.32Å; L260-L280 HydrophobicContact CD2-CD2 4.38Å; L260-L280 HydrophobicContact CD2-CG 4.5Å |
| 261 | Q | 97.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 37.1 Ų | 37.1 | 15% | 0.15 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 173.6 | -73 | 174.6 | -44.7 | 0 | 0 | 111.3 | I219 I222 I257 R258 A264 F265 V272 | I219-Q261 HydrophobicContact CG2-CB 4.04Å; I222-Q261 HydrophobicContact CB-CB 3.94Å; I222-Q261 HydrophobicContact CB-CG 4.03Å; I222-Q261 HydrophobicContact CG2-CB 4.1Å; I222-Q261 HydrophobicContact CG2-CG 4.03Å; I222-Q261 PolarHBondContact O-NE2 3.07Å; I257-Q261 HydrophobicContact CG2-CG 4.49Å; I257-Q261 WeakPolarHBondContact O-CG 3.44Å; I257-Q261 PolarHBondContact O-N 2.88Å; R258-Q261 WeakPolarHBondContact O-CB 3.49Å; R258-Q261 PolarHBondContact O-N 3.32Å; Q261-A264 PolarHBondContact O-N 2.87Å; Q261-F265 WeakPolarHBondContact O-CB 3.47Å; Q261-F265 PolarHBondContact O-N 2.59Å; Q261-V272 HydrophobicContact CG-CG2 3.93Å |
| 262 | A | 96.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -62.7 | -42.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | L34 I219 R258 L259 L260 A264 F265 F266 | L34-A262 HydrophobicContact CD1-CB 4.04Å; I219-A262 HydrophobicContact CD1-CB 4.01Å; I219-A262 HydrophobicContact CG1-CB 4.35Å; I219-A262 HydrophobicContact CG2-CB 4.02Å; R258-A262 PolarHBondContact O-N 3.19Å; L259-A262 WeakPolarHBondContact O-CB 3.33Å; L259-A262 PolarHBondContact O-N 3.4Å; L260-A262 VanDerWaalsContact C-N 3.32Å; L260-A262 PolarHBondContact O-N 3.24Å; A262-A264 PolarHBondContact O-N 3.48Å; A262-F265 PolarHBondContact O-N 3.19Å; A262-F266 HydrophobicContact CB-CD2 4.36Å; A262-F266 HydrophobicContact CB-CE2 4.24Å; A262-F266 WeakPolarHBondContact O-CD2 3.48Å; A262-F266 PolarHBondContact O-N 3.45Å |
| 263 | S | 95.3 | Very high | 94.8 | Very high | 15 Ų | 15 | 32.9 Ų | 32.9 | 11% | 0.105 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.4 | -48.2 | 175.1 | 179.1 | 0 | 0 | 0 | 0 | 111.9 | L259 L260 S267 D276 | L259-S263 PolarHBondContact O-N 3.4Å; L260-S263 WeakPolarHBondContact O-CB 3.32Å; L260-S263 PolarHBondContact O-N 3.38Å; S263-S267 VanDerWaalsContact O-CB 3.29Å; S263-S267 WeakPolarHBondContact O-CB 3.39Å; S263-S267 PolarHBondContact O-N 3.15Å; S263-S267 PolarHBondContact O-OG 2.92Å; S263-D276 VanDerWaalsContact CB-OD1 3.31Å; S263-D276 WeakPolarHBondContact CB-OD1 3.47Å; S263-D276 PolarHBondContact OG-OD1 3.47Å |
| 264 | A | 93.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 32 Ų | 32 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62.7 | -45.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I222 L260 Q261 A262 S267 G268 R269 A271 | I222-A264 HydrophobicContact CG2-CB 4.02Å; L260-A264 PolarHBondContact O-N 2.99Å; Q261-A264 PolarHBondContact O-N 2.87Å; A262-A264 PolarHBondContact O-N 3.48Å; A264-S267 CarbonylContact O-C 3.56Å; A264-S267 WeakPolarHBondContact O-CB 3.26Å; A264-S267 PolarHBondContact O-N 3.23Å; A264-S267 VanDerWaalsContact O-N 3.13Å; A264-G268 PolarHBondContact O-N 2.95Å; A264-R269 HydrophobicContact CB-CB 4.32Å; A264-R269 PolarHBondContact O-N 3.22Å; A264-A271 WeakPolarHBondContact CB-O 3.37Å |
| 265 | F | 94.8 | Very high | 94.6 | Very high | 24 Ų | 24 | 26.1 Ų | 26.1 | 11% | 0.105 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -57.5 | -51.3 | 177.3 | 177.3 | -103.9 | 0 | 0 | 0 | 112.2 | L7 W215 E218 I219 I222 Q261 A262 S267 G268 | L7-F265 HydrophobicContact CD2-CD1 4.17Å; L7-F265 HydrophobicContact CD2-CE1 3.49Å; L7-F265 VanDerWaalsContact CD2-CE1 3.49Å; L7-F265 HydrophobicContact CD2-CE2 4.4Å; L7-F265 HydrophobicContact CD2-CZ 3.62Å; W215-F265 HydrophobicContact CB-CE1 3.98Å; W215-F265 HydrophobicContact CB-CZ 4.39Å; W215-F265 AromaticContact CD1-CE1 3.75Å; W215-F265 AromaticContact CD1-CZ 3.61Å; W215-F265 HydrophobicContact CD2-CE1 4.41Å; W215-F265 AromaticContact CG-CE1 3.81Å; W215-F265 HydrophobicContact CG-CE1 3.81Å; W215-F265 HydrophobicContact CG-CZ 4.1Å; E218-F265 HydrophobicContact CB-CD2 4.34Å; E218-F265 HydrophobicContact CB-CE2 3.58Å; E218-F265 HydrophobicContact CB-CZ 3.91Å; E218-F265 VanDerWaalsContact OE2-CZ 3.23Å; E218-F265 WeakPolarHBondContact OE2-CZ 3.39Å; I219-F265 HydrophobicContact CD1-CD1 4.41Å; I219-F265 HydrophobicContact CG1-CB 4.13Å; I219-F265 HydrophobicContact CG1-CD1 3.71Å; I219-F265 HydrophobicContact CG1-CE1 4.3Å; I219-F265 HydrophobicContact CG1-CG 3.93Å; I222-F265 HydrophobicContact CD1-CB 4.11Å; I222-F265 HydrophobicContact CD1-CD2 4.22Å; I222-F265 HydrophobicContact CG1-CB 3.9Å; I222-F265 HydrophobicContact CG1-CD2 4.46Å; Q261-F265 WeakPolarHBondContact O-CB 3.47Å; Q261-F265 PolarHBondContact O-N 2.59Å; A262-F265 PolarHBondContact O-N 3.19Å; F265-S267 PolarHBondContact O-N 3.29Å; F265-G268 PolarHBondContact O-N 2.61Å |
| 266 | F | 93.4 | Very high | 94.6 | Very high | 15 Ų | 15 | 23.1 Ų | 23.1 | 7% | 0.066 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -73.6 | -11.2 | 178.9 | -65.8 | -58.5 | 0 | 0 | 0 | 113.4 | L7 A8 I11 L34 L37 W215 I219 A262 G268 | L7-F266 HydrophobicContact CD1-CD1 4.48Å; L7-F266 HydrophobicContact CD2-CD1 4.15Å; L7-F266 HydrophobicContact CD2-CE1 4.45Å; L7-F266 HydrophobicContact CG-CD1 4.3Å; A8-F266 WeakPolarHBondContact CA-O 3.4Å; A8-F266 VanDerWaalsContact CB-O 3.27Å; A8-F266 WeakPolarHBondContact CB-O 3.29Å; I11-F266 HydrophobicContact CD1-CD1 4.23Å; I11-F266 HydrophobicContact CD1-CE1 4.38Å; I11-F266 HydrophobicContact CG1-CB 4.49Å; I11-F266 HydrophobicContact CG1-CD1 3.7Å; I11-F266 HydrophobicContact CG1-CE1 4.33Å; I11-F266 HydrophobicContact CG1-CG 4.35Å; L34-F266 HydrophobicContact CD1-CD2 3.94Å; L37-F266 HydrophobicContact CB-CD2 4.44Å; L37-F266 HydrophobicContact CB-CE2 3.52Å; L37-F266 HydrophobicContact CB-CZ 3.62Å; L37-F266 HydrophobicContact CD1-CD1 4.47Å; L37-F266 HydrophobicContact CD1-CD2 4.24Å; L37-F266 HydrophobicContact CD1-CE1 4.19Å; L37-F266 HydrophobicContact CD1-CE2 3.98Å; L37-F266 HydrophobicContact CD1-CZ 3.95Å; L37-F266 HydrophobicContact CD2-CZ 4.37Å; L37-F266 HydrophobicContact CG-CE2 4.34Å; L37-F266 HydrophobicContact CG-CZ 4.2Å; W215-F266 HydrophobicContact CD2-CE1 4.07Å; W215-F266 HydrophobicContact CD2-CZ 4.49Å; W215-F266 AromaticContact CE3-CE1 3.74Å; W215-F266 HydrophobicContact CE3-CE1 3.74Å; W215-F266 HydrophobicContact CE3-CZ 4.01Å; W215-F266 HydrophobicContact CZ3-CE1 4.1Å; I219-F266 HydrophobicContact CD1-CE2 3.98Å; I219-F266 HydrophobicContact CD1-CZ 4.1Å; A262-F266 HydrophobicContact CB-CD2 4.36Å; A262-F266 HydrophobicContact CB-CE2 4.24Å; A262-F266 WeakPolarHBondContact O-CD2 3.48Å; A262-F266 PolarHBondContact O-N 3.45Å; F266-G268 VanDerWaalsContact C-N 3.33Å |
| 267 | S | 89.9 | Confident | 94.6 | Very high | 35 Ų | 35 | 23.1 Ų | 23.1 | 25% | 0.245 | 13% | 0.134 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -88.2 | 0.9 | 167.9 | -57.8 | 0 | 0 | 0 | 0 | 113 | S263 A264 F265 R269 | S263-S267 VanDerWaalsContact O-CB 3.29Å; S263-S267 WeakPolarHBondContact O-CB 3.39Å; S263-S267 PolarHBondContact O-N 3.15Å; S263-S267 PolarHBondContact O-OG 2.92Å; A264-S267 CarbonylContact O-C 3.56Å; A264-S267 WeakPolarHBondContact O-CB 3.26Å; A264-S267 PolarHBondContact O-N 3.23Å; A264-S267 VanDerWaalsContact O-N 3.13Å; F265-S267 PolarHBondContact O-N 3.29Å; S267-R269 VanDerWaalsContact C-N 3.33Å |
| 268 | G | 89 | Confident | 94.5 | Very high | 25 Ų | 25 | 24.4 Ų | 24.4 | 26% | 0.258 | 14% | 0.141 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.4 | 16.2 | -178.4 | 0 | 0 | 0 | 0 | 0 | 114.6 | A264 F265 F266 | A264-G268 PolarHBondContact O-N 2.95Å; F265-G268 PolarHBondContact O-N 2.61Å; F266-G268 VanDerWaalsContact C-N 3.33Å |
| 269 | R | 90.2 | Very high | 94.4 | Very high | 56 Ų | 56 | 22.4 Ų | 22.4 | 21% | 0.211 | 14% | 0.135 | C | C | . | . | trans | -97.1 | 150.9 | 178.5 | -66.2 | -178.1 | -76.9 | 116.3 | -6.1 | 110.9 | I222 A264 S267 A271 D276 | I222-R269 VanDerWaalsContact CD1-O 3.23Å; I222-R269 WeakPolarHBondContact CD1-O 3.42Å; A264-R269 HydrophobicContact CB-CB 4.32Å; A264-R269 PolarHBondContact O-N 3.22Å; S267-R269 VanDerWaalsContact C-N 3.33Å; R269-A271 PolarHBondContact NH1-O 3.13Å; R269-D276 IonicContact CZ-OD1 3.56Å; R269-D276 IonicContact CZ-OD2 3.29Å; R269-D276 VanDerWaalsContact CZ-OD2 3.28Å; R269-D276 IonicContact NH1-OD1 3.45Å; R269-D276 IonicContact NH1-OD2 3.25Å; R269-D276 PolarHBondContact NH1-OD2 3.48Å; R269-D276 IonicContact NH2-OD1 2.63Å; R269-D276 PolarHBondContact NH2-OD1 3.32Å; R269-D276 IonicContact NH2-OD2 2.67Å; R269-D276 PolarHBondContact NH2-OD2 3.01Å | ||
| 270 | S | 92.7 | Very high | 94.4 | Very high | 96 Ų | 96 | 22.5 Ų | 22.5 | 67% | 0.671 | 14% | 0.136 | S | C | * | . | S | Bend | trans | -95.4 | -3.2 | 176.8 | 54.9 | 0 | 0 | 0 | 0 | 114 | T223 | T223-S270 PolarHBondContact N-O 3.06Å; T223-S270 PolarHBondContact OG1-O 3.14Å |
| 271 | A | 95.2 | Very high | 94.3 | Very high | 27 Ų | 27 | 25.1 Ų | 25.1 | 22% | 0.223 | 15% | 0.147 | C | C | . | . | B | Isolated β-bridge | trans | -144.2 | 146.4 | -178.8 | 0 | 0 | 0 | 0 | 0 | 110.6 | T223 P225 A264 R269 | T223-A271 WeakPolarHBondContact O-CA 3.47Å; T223-A271 WeakPolarHBondContact OG1-CB 3.36Å; P225-A271 HydrophobicContact CG-CB 3.77Å; A264-A271 WeakPolarHBondContact CB-O 3.37Å; R269-A271 PolarHBondContact NH1-O 3.13Å |
| 272 | V | 96.3 | Very high | 94.2 | Very high | 3 Ų | 3 | 24.2 Ų | 24.2 | 2% | 0.018 | 14% | 0.143 | C | C | . | . | trans | -62.1 | 137.1 | 169.8 | -175.3 | 0 | 0 | 0 | 0 | 108.9 | I222 T223 L224 P225 V228 L260 Q261 D276 | I222-V272 HydrophobicContact CG2-CG2 4.02Å; T223-V272 PolarHBondContact O-N 3.28Å; L224-V272 HydrophobicContact CD1-CB 4.15Å; L224-V272 HydrophobicContact CD1-CG1 4.42Å; L224-V272 HydrophobicContact CD1-CG2 4.4Å; P225-V272 WeakPolarHBondContact CD-O 3.3Å; V228-V272 HydrophobicContact CG1-CG1 3.96Å; L260-V272 HydrophobicContact CB-CG1 3.87Å; L260-V272 HydrophobicContact CB-CG2 4.28Å; L260-V272 HydrophobicContact CD1-CG1 4.32Å; Q261-V272 HydrophobicContact CG-CG2 3.93Å; V272-D276 HydrophobicContact CG1-CB 3.93Å | ||
| 273 | A | 93.8 | Very high | 94.3 | Very high | 6 Ų | 6 | 24.3 Ų | 24.3 | 5% | 0.05 | 14% | 0.144 | C | C | . | . | trans | -113.1 | 159.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | V275 D276 Q467 | A273-V275 HydrophobicContact CB-CG1 4.18Å; A273-V275 PolarHBondContact O-N 2.86Å; A273-V275 VanDerWaalsContact O-N 3.12Å; A273-D276 PolarHBondContact N-OD2 3.35Å; A273-D276 WeakPolarHBondContact O-CB 3.15Å; A273-D276 PolarHBondContact O-N 3.46Å; A273-Q467 HydrophobicContact CB-CG 3.93Å | ||
| 274 | P | 94.9 | Very high | 94.3 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.013 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -52.5 | -34.5 | 176.8 | -28 | 34.9 | 0 | 0 | 0 | 114.1 | V228 L231 D276 L277 M302 A306 W307 | V228-P274 HydrophobicContact CG2-CG 4.32Å; L231-P274 HydrophobicContact CD1-CB 4.05Å; L231-P274 HydrophobicContact CD1-CG 4.16Å; P274-D276 PolarHBondContact O-N 2.85Å; P274-L277 VanDerWaalsContact O-CB 3.23Å; P274-L277 WeakPolarHBondContact O-CB 3.5Å; P274-L277 VanDerWaalsContact O-CG 3.29Å; P274-L277 WeakPolarHBondContact O-CG 3.05Å; P274-L277 PolarHBondContact O-N 3.17Å; P274-L277 VanDerWaalsContact O-N 3.09Å; P274-M302 WeakPolarHBondContact O-CE 3.2Å; P274-A306 HydrophobicContact CB-CB 3.83Å; P274-W307 HydrophobicContact CB-CZ2 4.17Å |
| 275 | V | 92.4 | Very high | 94.4 | Very high | 36 Ų | 36 | 23.7 Ų | 23.7 | 22% | 0.218 | 14% | 0.139 | C | C | . | . | G | 310 helix | trans | -61.1 | -29.2 | 177.8 | 71.2 | 0 | 0 | 0 | 0 | 113.6 | A273 L277 I278 W307 Q467 | A273-V275 HydrophobicContact CB-CG1 4.18Å; A273-V275 PolarHBondContact O-N 2.86Å; A273-V275 VanDerWaalsContact O-N 3.12Å; V275-L277 PolarHBondContact O-N 2.96Å; V275-I278 HydrophobicContact CG2-CD1 4.09Å; V275-I278 WeakPolarHBondContact O-CG1 3.4Å; V275-I278 PolarHBondContact O-N 3.05Å; V275-W307 HydrophobicContact CB-CZ2 4.48Å; V275-Q467 HydrophobicContact CG1-CB 4.17Å |
| 276 | D | 95 | Very high | 94.2 | Very high | 4 Ų | 4 | 25.4 Ų | 25.4 | 2% | 0.021 | 15% | 0.146 | C | C | . | . | G | 310 helix | trans | -65.1 | -27.7 | 177.7 | -64 | -58.9 | 0 | 0 | 0 | 111.7 | L260 S263 R269 V272 A273 P274 I278 L279 | L260-D276 HydrophobicContact CB-CB 4.33Å; L260-D276 HydrophobicContact CD2-CB 4.06Å; L260-D276 WeakPolarHBondContact CD2-O 3.5Å; S263-D276 VanDerWaalsContact CB-OD1 3.31Å; S263-D276 WeakPolarHBondContact CB-OD1 3.47Å; S263-D276 PolarHBondContact OG-OD1 3.47Å; R269-D276 IonicContact CZ-OD1 3.56Å; R269-D276 IonicContact CZ-OD2 3.29Å; R269-D276 VanDerWaalsContact CZ-OD2 3.28Å; R269-D276 IonicContact NH1-OD1 3.45Å; R269-D276 IonicContact NH1-OD2 3.25Å; R269-D276 PolarHBondContact NH1-OD2 3.48Å; R269-D276 IonicContact NH2-OD1 2.63Å; R269-D276 PolarHBondContact NH2-OD1 3.32Å; R269-D276 IonicContact NH2-OD2 2.67Å; R269-D276 PolarHBondContact NH2-OD2 3.01Å; V272-D276 HydrophobicContact CG1-CB 3.93Å; A273-D276 PolarHBondContact N-OD2 3.35Å; A273-D276 WeakPolarHBondContact O-CB 3.15Å; A273-D276 PolarHBondContact O-N 3.46Å; P274-D276 PolarHBondContact O-N 2.85Å; D276-I278 PolarHBondContact O-N 3.3Å; D276-L279 WeakPolarHBondContact O-CB 3.11Å; D276-L279 WeakPolarHBondContact O-CG 3.44Å; D276-L279 PolarHBondContact O-N 3.4Å |
| 277 | L | 96.8 | Very high | 94 | Very high | 0 Ų | 0 | 27.2 Ų | 27.2 | 0% | 0 | 16% | 0.156 | C | C | . | . | G | 310 helix | trans | -60.2 | -19.3 | -177.7 | -57.8 | -178.5 | 0 | 0 | 0 | 112.8 | V228 L231 I232 L260 P274 V275 L279 L280 L301 M302 | V228-L277 HydrophobicContact CG1-CD1 4.31Å; V228-L277 HydrophobicContact CG1-CD2 3.91Å; V228-L277 HydrophobicContact CG1-CG 4.32Å; L231-L277 HydrophobicContact CB-CD1 3.64Å; L231-L277 HydrophobicContact CD1-CD1 3.82Å; L231-L277 HydrophobicContact CG-CD1 4.38Å; I232-L277 HydrophobicContact CD1-CD2 3.86Å; I232-L277 HydrophobicContact CG1-CD2 3.54Å; L260-L277 HydrophobicContact CD1-CD2 3.67Å; P274-L277 VanDerWaalsContact O-CB 3.23Å; P274-L277 WeakPolarHBondContact O-CB 3.5Å; P274-L277 VanDerWaalsContact O-CG 3.29Å; P274-L277 WeakPolarHBondContact O-CG 3.05Å; P274-L277 PolarHBondContact O-N 3.17Å; P274-L277 VanDerWaalsContact O-N 3.09Å; V275-L277 PolarHBondContact O-N 2.96Å; L277-L279 PolarHBondContact O-N 2.9Å; L277-L280 HydrophobicContact CB-CD1 4.38Å; L277-L280 HydrophobicContact CD2-CD1 4.08Å; L277-L280 WeakPolarHBondContact O-CB 3.33Å; L277-L280 WeakPolarHBondContact O-CG 3.4Å; L277-L280 PolarHBondContact O-N 3.26Å; L277-L301 HydrophobicContact CD1-CD2 3.98Å; L277-M302 HydrophobicContact CB-SD 4.32Å |
| 278 | I | 95.2 | Very high | 94 | Very high | 68 Ų | 68 | 28.9 Ų | 28.9 | 35% | 0.349 | 17% | 0.171 | S | C | . | . | G | 310 helix | trans | -55.1 | -33.9 | 172.9 | -63.7 | 172.6 | 0 | 0 | 0 | 111.1 | V275 D276 L280 K281 M302 | V275-I278 HydrophobicContact CG2-CD1 4.09Å; V275-I278 WeakPolarHBondContact O-CG1 3.4Å; V275-I278 PolarHBondContact O-N 3.05Å; D276-I278 PolarHBondContact O-N 3.3Å; I278-L280 PolarHBondContact O-N 3.22Å; I278-L280 VanDerWaalsContact O-N 3.17Å; I278-K281 HydrophobicContact CG2-CD 4.22Å; I278-K281 WeakPolarHBondContact O-CB 3.44Å; I278-K281 WeakPolarHBondContact O-CG 3.44Å; I278-K281 PolarHBondContact O-N 2.61Å; I278-K281 VanDerWaalsContact O-N 3.09Å; I278-M302 HydrophobicContact CD1-CE 4.26Å; I278-M302 HydrophobicContact CG1-CE 4.06Å; I278-M302 HydrophobicContact CG1-CG 4.06Å; I278-M302 HydrophobicContact CG1-SD 4.16Å |
| 279 | L | 96 | Very high | 94.1 | Very high | 25 Ų | 25 | 33.1 Ų | 33.1 | 13% | 0.131 | 19% | 0.185 | C | C | . | . | G | 310 helix | trans | -62.7 | -21.3 | 178.2 | -63.1 | 175 | 0 | 0 | 0 | 113.4 | L31 L34 L260 D276 L277 K281 D282 C283 | L31-L279 HydrophobicContact CD2-CD2 3.43Å; L31-L279 VanDerWaalsContact CD2-CD2 3.43Å; L34-L279 HydrophobicContact CD2-CD1 3.74Å; L34-L279 HydrophobicContact CD2-CD2 4.33Å; L260-L279 HydrophobicContact CD2-CB 3.97Å; L260-L279 HydrophobicContact CD2-CD1 4.2Å; D276-L279 WeakPolarHBondContact O-CB 3.11Å; D276-L279 WeakPolarHBondContact O-CG 3.44Å; D276-L279 PolarHBondContact O-N 3.4Å; L277-L279 PolarHBondContact O-N 2.9Å; L279-K281 PolarHBondContact O-N 3.05Å; L279-D282 PolarHBondContact O-N 3.21Å; L279-D282 VanDerWaalsContact O-N 3.17Å; L279-C283 PolarHBondContact O-N 2.88Å; L279-C283 PolarHBondContact O-SG 2.73Å |
| 280 | L | 97.2 | Very high | 94.2 | Very high | 2 Ų | 2 | 30.6 Ų | 30.6 | 1% | 0.01 | 18% | 0.175 | C | C | . | . | G | 310 helix | trans | -63.1 | -25.3 | 176.2 | -62.6 | -179.3 | 0 | 0 | 0 | 111.7 | L235 W253 A256 L260 L277 I278 D282 C283 L284 I298 | L235-L280 HydrophobicContact CD2-CD1 3.76Å; W253-L280 HydrophobicContact CZ3-CD1 4.3Å; A256-L280 HydrophobicContact CB-CD2 3.72Å; L260-L280 HydrophobicContact CD1-CD2 4.32Å; L260-L280 HydrophobicContact CD2-CD2 4.38Å; L260-L280 HydrophobicContact CD2-CG 4.5Å; L277-L280 HydrophobicContact CB-CD1 4.38Å; L277-L280 HydrophobicContact CD2-CD1 4.08Å; L277-L280 WeakPolarHBondContact O-CB 3.33Å; L277-L280 WeakPolarHBondContact O-CG 3.4Å; L277-L280 PolarHBondContact O-N 3.26Å; I278-L280 PolarHBondContact O-N 3.22Å; I278-L280 VanDerWaalsContact O-N 3.17Å; L280-D282 PolarHBondContact O-N 3.22Å; L280-C283 PolarHBondContact O-N 3.41Å; L280-L284 HydrophobicContact CB-CD1 3.9Å; L280-L284 HydrophobicContact CB-CG 4.18Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3.41Å; L280-I298 HydrophobicContact CB-CD1 3.89Å |
| 281 | K | 95.3 | Very high | 94.2 | Very high | 56 Ų | 56 | 27.7 Ų | 27.7 | 24% | 0.243 | 15% | 0.152 | C | C | . | . | G | 310 helix | trans | -57.3 | -34.9 | 175.7 | 85.2 | -175.2 | -178.6 | 158.3 | 0 | 112.4 | I278 L279 I298 | I278-K281 HydrophobicContact CG2-CD 4.22Å; I278-K281 WeakPolarHBondContact O-CB 3.44Å; I278-K281 WeakPolarHBondContact O-CG 3.44Å; I278-K281 PolarHBondContact O-N 2.61Å; I278-K281 VanDerWaalsContact O-N 3.09Å; L279-K281 PolarHBondContact O-N 3.05Å; K281-I298 HydrophobicContact CB-CG1 4.13Å |
| 282 | D | 96 | Very high | 94.1 | Very high | 14 Ų | 14 | 30.9 Ų | 30.9 | 8% | 0.075 | 17% | 0.166 | C | C | . | . | G | 310 helix | trans | -92.2 | -6.5 | -178.7 | -53.9 | -59.4 | 0 | 0 | 0 | 111.8 | H27 L31 I173 R174 L175 L279 L280 | H27-D282 IonicContact NE2-OD2 2.96Å; L31-D282 HydrophobicContact CD1-CB 4.21Å; L31-D282 WeakPolarHBondContact CD1-OD2 3.25Å; I173-D282 HydrophobicContact CG2-CB 4.24Å; R174-D282 PolarHBondContact N-O 3.19Å; L175-D282 HydrophobicContact CD2-CB 4.19Å; L279-D282 PolarHBondContact O-N 3.21Å; L279-D282 VanDerWaalsContact O-N 3.17Å; L280-D282 PolarHBondContact O-N 3.22Å |
| 283 | C | 97 | Very high | 93.9 | Very high | 1 Ų | 1 | 32 Ų | 32 | 1% | 0.007 | 17% | 0.172 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.6 | -26.8 | -176 | -61.9 | 0 | 0 | 0 | 0 | 114 | L172 R252 A256 L259 L279 L280 | L172-C283 HydrophobicContact CD1-CB 4.29Å; L172-C283 WeakPolarHBondContact O-CA 3.27Å; R252-C283 WeakPolarHBondContact CD-O 3.31Å; R252-C283 PolarHBondContact NH1-O 2.8Å; A256-C283 HydrophobicContact CB-CB 4.3Å; L259-C283 VanDerWaalsContact CD2-SG 3.6Å; L279-C283 PolarHBondContact O-N 2.88Å; L279-C283 PolarHBondContact O-SG 2.73Å; L280-C283 PolarHBondContact O-N 3.41Å |
| 284 | L | 95.8 | Very high | 94 | Very high | 1 Ų | 1 | 31.8 Ų | 31.8 | 1% | 0.005 | 17% | 0.169 | C | C | . | . | S | Bend | trans | -103.1 | -16.8 | -166.8 | -59.2 | -176.8 | 0 | 0 | 0 | 114.7 | L235 L239 P246 V248 W253 L280 I294 | L235-L284 HydrophobicContact CD2-CD1 3.89Å; L239-L284 HydrophobicContact CD1-CD1 4.28Å; P246-L284 WeakPolarHBondContact CG-O 3.44Å; V248-L284 HydrophobicContact CG1-CD2 3.74Å; V248-L284 HydrophobicContact CG2-CB 4.41Å; V248-L284 HydrophobicContact CG2-CD2 4.31Å; W253-L284 HydrophobicContact CE3-CD2 4.44Å; W253-L284 HydrophobicContact CH2-CD1 3.58Å; W253-L284 HydrophobicContact CH2-CD2 4.31Å; W253-L284 HydrophobicContact CZ2-CD1 4.18Å; W253-L284 HydrophobicContact CZ2-CD2 4.43Å; W253-L284 HydrophobicContact CZ3-CD1 3.97Å; W253-L284 HydrophobicContact CZ3-CD2 4.3Å; L280-L284 HydrophobicContact CB-CD1 3.9Å; L280-L284 HydrophobicContact CB-CG 4.18Å; L280-L284 WeakPolarHBondContact O-CG 3.34Å; L280-L284 PolarHBondContact O-N 3.41Å; L284-I294 HydrophobicContact CB-CD1 4.03Å; L284-I294 HydrophobicContact CB-CG1 4.14Å; L284-I294 HydrophobicContact CB-CG2 4.12Å |
| 285 | W | 94.7 | Very high | 93.9 | Very high | 2 Ų | 2 | 36 Ų | 36 | 1% | 0.008 | 19% | 0.189 | C | C | . | . | trans | -79.2 | 149.7 | -176.6 | 72.6 | -85.2 | 0 | 0 | 0 | 113.3 | L45 R174 D287 L291 I294 | L45-W285 HydrophobicContact CD2-CH2 4.12Å; R174-W285 HydrophobicContact CB-CD2 4.32Å; R174-W285 VanDerWaalsContact CB-CE2 3.42Å; R174-W285 HydrophobicContact CB-CH2 4.33Å; R174-W285 HydrophobicContact CB-CZ2 3.45Å; R174-W285 VanDerWaalsContact CB-CZ2 3.45Å; R174-W285 WeakPolarHBondContact CD-O 3.4Å; R174-W285 PolarHBondContact NH1-O 3.1Å; R174-W285 WeakPolarHBondContact O-CZ2 3.44Å; R174-W285 PolarHBondContact O-NE1 3.41Å; W285-D287 VanDerWaalsContact CE3-O 3.29Å; W285-L291 VanDerWaalsContact CB-CA 3.47Å; W285-L291 HydrophobicContact CB-CB 4Å; W285-L291 HydrophobicContact CB-CD1 4.16Å; W285-L291 HydrophobicContact CD2-CB 3.92Å; W285-L291 HydrophobicContact CD2-CD1 3.8Å; W285-L291 HydrophobicContact CD2-CG 4.32Å; W285-L291 HydrophobicContact CE3-CB 3.91Å; W285-L291 HydrophobicContact CG-CB 4.01Å; W285-L291 HydrophobicContact CG-CD1 3.6Å; W285-L291 HydrophobicContact CG-CG 4.4Å; W285-I294 HydrophobicContact CB-CG1 4.19Å | ||
| 286 | Y | 91.3 | Very high | 94 | Very high | 60 Ų | 60 | 39.9 Ų | 39.9 | 24% | 0.235 | 21% | 0.205 | C | C | . | . | trans | -112.3 | -37.9 | -178 | 179.1 | -92.4 | 0 | 0 | 0 | 113.6 | Y168 S290 | Y168-Y286 AromaticContact CD1-CD2 3.83Å; Y168-Y286 HydrophobicContact CD1-CD2 3.83Å; Y168-Y286 AromaticContact CD1-CE2 3.61Å; Y168-Y286 HydrophobicContact CD1-CE2 3.61Å; Y168-Y286 AromaticContact CE1-CD2 3.53Å; Y168-Y286 HydrophobicContact CE1-CD2 3.53Å; Y168-Y286 AromaticContact CE1-CE2 3.7Å; Y168-Y286 HydrophobicContact CE1-CE2 3.7Å; Y168-Y286 HydrophobicContact CE1-CG 4.14Å; Y168-Y286 WeakPolarHBondContact CE1-O 3.41Å; Y168-Y286 PolarHBondContact OH-O 3.48Å; Y286-S290 PolarHBondContact N-OG 2.98Å | ||
| 287 | D | 90.4 | Very high | 94 | Very high | 53 Ų | 53 | 41 Ų | 41 | 28% | 0.283 | 21% | 0.21 | S | C | . | . | S | Bend | trans | -143.2 | -178.6 | -178.1 | 60.3 | 19.4 | 0 | 0 | 0 | 110.7 | L157 W285 Q289 S290 L291 | L157-D287 HydrophobicContact CD1-CB 3.81Å; W285-D287 VanDerWaalsContact CE3-O 3.29Å; D287-Q289 VanDerWaalsContact C-N 3.29Å; D287-Q289 PolarHBondContact O-N 3.49Å; D287-Q289 PolarHBondContact OD1-N 3.32Å; D287-S290 PolarHBondContact N-OG 2.87Å; D287-S290 PolarHBondContact O-N 3.36Å; D287-S290 PolarHBondContact O-OG 2.97Å; D287-S290 VanDerWaalsContact O-OG 3.09Å; D287-S290 VanDerWaalsContact OD1-CB 3.29Å; D287-S290 WeakPolarHBondContact OD1-CB 3.48Å; D287-S290 PolarHBondContact OD1-N 3.05Å; D287-S290 PolarHBondContact OD1-OG 3.27Å; D287-L291 WeakPolarHBondContact O-CB 3.4Å; D287-L291 PolarHBondContact O-N 3.46Å |
| 288 | A | 88.6 | Confident | 93.9 | Very high | 69 Ų | 69 | 41.2 Ų | 41.2 | 57% | 0.57 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -62.9 | -33.4 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | N292 | A288-N292 PolarHBondContact O-N 3.34Å; A288-N292 PolarHBondContact O-ND2 2.92Å |
| 289 | Q | 90.8 | Very high | 93.9 | Very high | 114 Ų | 114 | 42 Ų | 42 | 53% | 0.533 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -70.1 | -49.6 | 179.1 | -178.5 | 175.8 | -6 | 0 | 0 | 110.6 | D287 L291 N292 L293 | D287-Q289 VanDerWaalsContact C-N 3.29Å; D287-Q289 PolarHBondContact O-N 3.49Å; D287-Q289 PolarHBondContact OD1-N 3.32Å; Q289-L291 VanDerWaalsContact C-N 3.32Å; Q289-L291 PolarHBondContact O-N 3.48Å; Q289-N292 PolarHBondContact O-N 2.88Å; Q289-L293 PolarHBondContact O-N 2.78Å |
| 290 | S | 92.3 | Very high | 93.7 | Very high | 3 Ų | 3 | 43.9 Ų | 43.9 | 2% | 0.021 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67 | -30.1 | 176.5 | 57.6 | 0 | 0 | 0 | 0 | 112.7 | Y286 D287 N292 L293 I294 | Y286-S290 PolarHBondContact N-OG 2.98Å; D287-S290 PolarHBondContact N-OG 2.87Å; D287-S290 PolarHBondContact O-N 3.36Å; D287-S290 PolarHBondContact O-OG 2.97Å; D287-S290 VanDerWaalsContact O-OG 3.09Å; D287-S290 VanDerWaalsContact OD1-CB 3.29Å; D287-S290 WeakPolarHBondContact OD1-CB 3.48Å; D287-S290 PolarHBondContact OD1-N 3.05Å; D287-S290 PolarHBondContact OD1-OG 3.27Å; S290-N292 PolarHBondContact O-N 2.84Å; S290-L293 PolarHBondContact O-N 3.19Å; S290-I294 WeakPolarHBondContact O-CB 3.4Å; S290-I294 VanDerWaalsContact O-CG1 3.23Å; S290-I294 WeakPolarHBondContact O-CG1 3.38Å; S290-I294 PolarHBondContact O-N 2.92Å |
| 291 | L | 92.6 | Very high | 93.7 | Very high | 35 Ų | 35 | 43.8 Ų | 43.8 | 18% | 0.183 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -56.9 | -51.3 | 172.1 | 176.4 | 64.5 | 0 | 0 | 0 | 111.2 | W176 W285 D287 Q289 L293 I294 Q295 | W176-L291 HydrophobicContact CB-CD2 4.36Å; W285-L291 VanDerWaalsContact CB-CA 3.47Å; W285-L291 HydrophobicContact CB-CB 4Å; W285-L291 HydrophobicContact CB-CD1 4.16Å; W285-L291 HydrophobicContact CD2-CB 3.92Å; W285-L291 HydrophobicContact CD2-CD1 3.8Å; W285-L291 HydrophobicContact CD2-CG 4.32Å; W285-L291 HydrophobicContact CE3-CB 3.91Å; W285-L291 HydrophobicContact CG-CB 4.01Å; W285-L291 HydrophobicContact CG-CD1 3.6Å; W285-L291 HydrophobicContact CG-CG 4.4Å; D287-L291 WeakPolarHBondContact O-CB 3.4Å; D287-L291 PolarHBondContact O-N 3.46Å; Q289-L291 VanDerWaalsContact C-N 3.32Å; Q289-L291 PolarHBondContact O-N 3.48Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 PolarHBondContact O-N 3.46Å; L291-I294 PolarHBondContact O-N 2.83Å; L291-Q295 WeakPolarHBondContact O-CB 3.48Å; L291-Q295 PolarHBondContact O-N 2.79Å |
| 292 | N | 92.9 | Very high | 93.6 | Very high | 94 Ų | 94 | 42 Ų | 42 | 50% | 0.503 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -62.8 | -41.7 | 177 | -69.2 | -38.1 | 0 | 0 | 0 | 111.6 | A288 Q289 S290 Q295 Q296 | A288-N292 PolarHBondContact O-N 3.34Å; A288-N292 PolarHBondContact O-ND2 2.92Å; Q289-N292 PolarHBondContact O-N 2.88Å; S290-N292 PolarHBondContact O-N 2.84Å; N292-Q295 PolarHBondContact O-N 3.06Å; N292-Q296 VanDerWaalsContact O-CG 3.31Å; N292-Q296 WeakPolarHBondContact O-CG 3.38Å; N292-Q296 PolarHBondContact O-N 2.98Å |
| 293 | L | 93.8 | Very high | 93.3 | Very high | 28 Ų | 28 | 46.2 Ų | 46.2 | 15% | 0.147 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.2 | -50 | 178.4 | -175.4 | 68.3 | 0 | 0 | 0 | 112 | L242 A245 Q289 S290 L291 Q295 Q296 Q297 | L242-L293 HydrophobicContact CD1-CD1 4.19Å; L242-L293 HydrophobicContact CD1-CD2 4.44Å; A245-L293 HydrophobicContact CB-CD2 4.13Å; Q289-L293 PolarHBondContact O-N 2.78Å; S290-L293 PolarHBondContact O-N 3.19Å; L291-L293 VanDerWaalsContact C-N 3.34Å; L291-L293 PolarHBondContact O-N 3.46Å; L293-Q295 VanDerWaalsContact C-N 3.31Å; L293-Q295 PolarHBondContact O-N 2.65Å; L293-Q296 PolarHBondContact O-N 3.16Å; L293-Q297 WeakPolarHBondContact O-CG 3.34Å; L293-Q297 PolarHBondContact O-N 3.49Å |
| 294 | I | 94.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.8 | -44 | 178.2 | -65.2 | -53.8 | 0 | 0 | 0 | 109.7 | L239 P246 L284 W285 S290 L291 Q296 Q297 I298 | L239-I294 HydrophobicContact CD1-CD1 3.74Å; L239-I294 HydrophobicContact CD2-CD1 3.41Å; L239-I294 VanDerWaalsContact CD2-CD1 3.41Å; L239-I294 HydrophobicContact CG-CD1 4.24Å; P246-I294 HydrophobicContact CG-CD1 4.17Å; P246-I294 HydrophobicContact CG-CG1 4.41Å; L284-I294 HydrophobicContact CB-CD1 4.03Å; L284-I294 HydrophobicContact CB-CG1 4.14Å; L284-I294 HydrophobicContact CB-CG2 4.12Å; W285-I294 HydrophobicContact CB-CG1 4.19Å; S290-I294 WeakPolarHBondContact O-CB 3.4Å; S290-I294 VanDerWaalsContact O-CG1 3.23Å; S290-I294 WeakPolarHBondContact O-CG1 3.38Å; S290-I294 PolarHBondContact O-N 2.92Å; L291-I294 PolarHBondContact O-N 2.83Å; I294-Q296 VanDerWaalsContact C-N 3.32Å; I294-Q296 PolarHBondContact O-N 3.43Å; I294-Q297 PolarHBondContact O-N 2.91Å; I294-I298 HydrophobicContact CG2-CG1 4.15Å; I294-I298 VanDerWaalsContact O-CG1 3.31Å; I294-I298 WeakPolarHBondContact O-CG1 3.33Å; I294-I298 PolarHBondContact O-N 3.28Å |
| 295 | Q | 93.9 | Very high | 93 | Very high | 92 Ų | 92 | 49.1 Ų | 49.1 | 43% | 0.43 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -56.8 | -46.9 | 176.9 | -177.8 | 172.1 | -13.4 | 0 | 0 | 111.4 | L291 N292 L293 Q297 I298 D299 | L291-Q295 WeakPolarHBondContact O-CB 3.48Å; L291-Q295 PolarHBondContact O-N 2.79Å; N292-Q295 PolarHBondContact O-N 3.06Å; L293-Q295 VanDerWaalsContact C-N 3.31Å; L293-Q295 PolarHBondContact O-N 2.65Å; Q295-Q297 PolarHBondContact O-N 3.25Å; Q295-I298 PolarHBondContact O-N 3.28Å; Q295-D299 VanDerWaalsContact O-CG 3.3Å; Q295-D299 PolarHBondContact O-N 2.87Å |
| 296 | Q | 93.6 | Very high | 93 | Very high | 116 Ų | 116 | 49.3 Ų | 49.3 | 54% | 0.542 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -61.4 | -41.9 | 175.7 | -71.3 | 173.3 | -3 | 0 | 0 | 112.9 | N292 L293 I294 D299 V300 | N292-Q296 VanDerWaalsContact O-CG 3.31Å; N292-Q296 WeakPolarHBondContact O-CG 3.38Å; N292-Q296 PolarHBondContact O-N 2.98Å; L293-Q296 PolarHBondContact O-N 3.16Å; I294-Q296 VanDerWaalsContact C-N 3.32Å; I294-Q296 PolarHBondContact O-N 3.43Å; Q296-D299 PolarHBondContact O-N 3.01Å; Q296-V300 WeakPolarHBondContact O-CG2 3.24Å; Q296-V300 PolarHBondContact O-N 3.38Å |
| 297 | Q | 94.6 | Very high | 93.1 | Very high | 29 Ų | 29 | 47.6 Ų | 47.6 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.4 | -38.1 | 177.7 | -65.6 | -50.3 | -59.2 | 0 | 0 | 112 | L235 L239 L242 L293 I294 Q295 V300 L301 | L235-Q297 HydrophobicContact CD1-CB 3.76Å; L239-Q297 HydrophobicContact CD2-CG 4.03Å; L242-Q297 HydrophobicContact CD1-CG 4.18Å; L293-Q297 WeakPolarHBondContact O-CG 3.34Å; L293-Q297 PolarHBondContact O-N 3.49Å; I294-Q297 PolarHBondContact O-N 2.91Å; Q295-Q297 PolarHBondContact O-N 3.25Å; Q297-V300 PolarHBondContact O-N 3.47Å; Q297-L301 WeakPolarHBondContact O-CB 3.43Å; Q297-L301 PolarHBondContact O-N 3.01Å |
| 298 | I | 95.8 | Very high | 93.3 | Very high | 4 Ų | 4 | 49.5 Ų | 49.5 | 2% | 0.021 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -64.7 | -43.1 | 173.2 | -66.2 | -62.5 | 0 | 0 | 0 | 110.3 | L235 L280 K281 I294 Q295 V300 L301 M302 | L235-I298 HydrophobicContact CD1-CD1 4.48Å; L235-I298 HydrophobicContact CD2-CD1 3.68Å; L280-I298 HydrophobicContact CB-CD1 3.89Å; K281-I298 HydrophobicContact CB-CG1 4.13Å; I294-I298 HydrophobicContact CG2-CG1 4.15Å; I294-I298 VanDerWaalsContact O-CG1 3.31Å; I294-I298 WeakPolarHBondContact O-CG1 3.33Å; I294-I298 PolarHBondContact O-N 3.28Å; Q295-I298 PolarHBondContact O-N 3.28Å; I298-V300 VanDerWaalsContact C-N 3.34Å; I298-V300 PolarHBondContact O-N 2.83Å; I298-L301 HydrophobicContact CD1-CD2 4.47Å; I298-L301 WeakPolarHBondContact O-CB 3.21Å; I298-L301 PolarHBondContact O-N 3.27Å; I298-L301 VanDerWaalsContact O-N 3.16Å; I298-M302 HydrophobicContact CG2-CG 4.05Å; I298-M302 WeakPolarHBondContact O-CB 3.45Å; I298-M302 VanDerWaalsContact O-CG 3.24Å; I298-M302 WeakPolarHBondContact O-CG 3.47Å; I298-M302 PolarHBondContact O-N 3.2Å |
| 299 | D | 93.7 | Very high | 93.5 | Very high | 83 Ų | 83 | 48.3 Ų | 48.3 | 44% | 0.444 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -59.4 | -44.6 | 176.2 | -70.5 | -23.2 | 0 | 0 | 0 | 111.5 | Q295 Q296 M302 T303 | Q295-D299 VanDerWaalsContact O-CG 3.3Å; Q295-D299 PolarHBondContact O-N 2.87Å; Q296-D299 PolarHBondContact O-N 3.01Å; D299-M302 PolarHBondContact O-N 3.24Å; D299-T303 WeakPolarHBondContact O-CB 3.37Å; D299-T303 WeakPolarHBondContact O-CG2 3.49Å; D299-T303 PolarHBondContact O-N 2.92Å; D299-T303 PolarHBondContact O-OG1 2.85Å |
| 300 | V | 93.2 | Very high | 93.5 | Very high | 65 Ų | 65 | 47.4 Ų | 47.4 | 39% | 0.394 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.3 | -43.1 | 174.5 | 171.7 | 0 | 0 | 0 | 0 | 111.4 | Q296 Q297 I298 G304 | Q296-V300 WeakPolarHBondContact O-CG2 3.24Å; Q296-V300 PolarHBondContact O-N 3.38Å; Q297-V300 PolarHBondContact O-N 3.47Å; I298-V300 VanDerWaalsContact C-N 3.34Å; I298-V300 PolarHBondContact O-N 2.83Å; V300-G304 WeakPolarHBondContact O-CA 3.45Å; V300-G304 PolarHBondContact O-N 3.27Å |
| 301 | L | 95.6 | Very high | 93.6 | Very high | 0 Ų | 0 | 49.1 Ų | 49.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -61.6 | -47.1 | 178.1 | -170.5 | 71.9 | 0 | 0 | 0 | 111.1 | L231 M234 L235 L277 Q297 I298 H305 A306 | L231-L301 HydrophobicContact CB-CD1 4.16Å; L231-L301 HydrophobicContact CD2-CD1 3.88Å; L231-L301 HydrophobicContact CD2-CG 4.47Å; M234-L301 HydrophobicContact SD-CD1 4.37Å; L235-L301 HydrophobicContact CB-CD2 4.34Å; L235-L301 HydrophobicContact CD2-CD2 4.39Å; L277-L301 HydrophobicContact CD1-CD2 3.98Å; Q297-L301 WeakPolarHBondContact O-CB 3.43Å; Q297-L301 PolarHBondContact O-N 3.01Å; I298-L301 HydrophobicContact CD1-CD2 4.47Å; I298-L301 WeakPolarHBondContact O-CB 3.21Å; I298-L301 PolarHBondContact O-N 3.27Å; I298-L301 VanDerWaalsContact O-N 3.16Å; L301-H305 HydrophobicContact CD1-CB 4.25Å; L301-H305 CarbonylContact O-C 3.44Å; L301-H305 WeakPolarHBondContact O-CA 3.48Å; L301-H305 WeakPolarHBondContact O-CB 3.43Å; L301-H305 PolarHBondContact O-N 2.96Å; L301-A306 PolarHBondContact O-N 2.95Å |
| 302 | M | 93.6 | Very high | 93.6 | Very high | 18 Ų | 18 | 48.5 Ų | 48.5 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -71.7 | -41.7 | -177.2 | -63.8 | -46.8 | -65.1 | 0 | 0 | 112.6 | P274 L277 I278 I298 D299 A306 W307 Q309 | P274-M302 WeakPolarHBondContact O-CE 3.2Å; L277-M302 HydrophobicContact CB-SD 4.32Å; I278-M302 HydrophobicContact CD1-CE 4.26Å; I278-M302 HydrophobicContact CG1-CE 4.06Å; I278-M302 HydrophobicContact CG1-CG 4.06Å; I278-M302 HydrophobicContact CG1-SD 4.16Å; I298-M302 HydrophobicContact CG2-CG 4.05Å; I298-M302 WeakPolarHBondContact O-CB 3.45Å; I298-M302 VanDerWaalsContact O-CG 3.24Å; I298-M302 WeakPolarHBondContact O-CG 3.47Å; I298-M302 PolarHBondContact O-N 3.2Å; D299-M302 PolarHBondContact O-N 3.24Å; M302-A306 HydrophobicContact CE-CB 3.96Å; M302-A306 HydrophobicContact SD-CB 4.08Å; M302-W307 HydrophobicContact CE-CH2 3.25Å; M302-W307 HydrophobicContact CE-CZ2 4.18Å; M302-W307 HydrophobicContact CE-CZ3 3.6Å; M302-W307 WeakPolarHBondContact O-CZ3 3.46Å; M302-Q309 PolarHBondContact O-NE2 2.88Å |
| 303 | T | 91.2 | Very high | 93.6 | Very high | 103 Ų | 103 | 49 Ų | 49 | 63% | 0.632 | 26% | 0.261 | S | S | * | . | I | π-helix | trans | -83.9 | -26.2 | -177.3 | 60.4 | 0 | 0 | 0 | 0 | 113.4 | D299 Q309 | D299-T303 WeakPolarHBondContact O-CB 3.37Å; D299-T303 WeakPolarHBondContact O-CG2 3.49Å; D299-T303 PolarHBondContact O-N 2.92Å; D299-T303 PolarHBondContact O-OG1 2.85Å; T303-Q309 PolarHBondContact O-NE2 3.45Å |
| 304 | G | 91.4 | Very high | 93.5 | Very high | 12 Ų | 12 | 52 Ų | 52 | 12% | 0.124 | 28% | 0.28 | C | S | . | . | I | π-helix | trans | -102.6 | -35.5 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.1 | V300 Q309 Q310 | V300-G304 WeakPolarHBondContact O-CA 3.45Å; V300-G304 PolarHBondContact O-N 3.27Å; G304-Q309 PolarHBondContact O-N 2.9Å; G304-Q310 WeakPolarHBondContact O-CB 3.47Å; G304-Q310 PolarHBondContact O-N 2.96Å |
| 305 | H | 94.8 | Very high | 93.6 | Very high | 52 Ų | 52 | 58.1 Ų | 58.1 | 24% | 0.241 | 30% | 0.303 | C | S | . | . | I | π-helix | trans | -124.8 | -34.4 | -163.7 | -62.3 | -76.5 | 0 | 0 | 0 | 115.1 | L231 M234 L301 W307 Q308 | L231-H305 HydrophobicContact CD2-CB 3.63Å; M234-H305 HydrophobicContact SD-CB 4.26Å; L301-H305 HydrophobicContact CD1-CB 4.25Å; L301-H305 CarbonylContact O-C 3.44Å; L301-H305 WeakPolarHBondContact O-CA 3.48Å; L301-H305 WeakPolarHBondContact O-CB 3.43Å; L301-H305 PolarHBondContact O-N 2.96Å; H305-W307 PolarHBondContact O-N 3.35Å; H305-W307 VanDerWaalsContact O-N 3.08Å; H305-Q308 PolarHBondContact O-N 2.97Å |
| 306 | A | 93.8 | Very high | 93.5 | Very high | 6 Ų | 6 | 57 Ų | 57 | 5% | 0.05 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54 | -34 | -171.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L231 P274 L301 M302 | L231-A306 HydrophobicContact CD1-CB 4.45Å; P274-A306 HydrophobicContact CB-CB 3.83Å; L301-A306 PolarHBondContact O-N 2.95Å; M302-A306 HydrophobicContact CE-CB 3.96Å; M302-A306 HydrophobicContact SD-CB 4.08Å |
| 307 | W | 94.7 | Very high | 93.2 | Very high | 24 Ų | 24 | 53.2 Ų | 53.2 | 9% | 0.091 | 29% | 0.291 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -123.4 | 33.3 | 177 | -62.8 | -81.3 | 0 | 0 | 0 | 111.6 | P274 V275 M302 H305 Q309 M312 Q460 F464 | P274-W307 HydrophobicContact CB-CZ2 4.17Å; V275-W307 HydrophobicContact CB-CZ2 4.48Å; M302-W307 HydrophobicContact CE-CH2 3.25Å; M302-W307 HydrophobicContact CE-CZ2 4.18Å; M302-W307 HydrophobicContact CE-CZ3 3.6Å; M302-W307 WeakPolarHBondContact O-CZ3 3.46Å; H305-W307 PolarHBondContact O-N 3.35Å; H305-W307 VanDerWaalsContact O-N 3.08Å; W307-Q309 PolarHBondContact O-N 3.19Å; W307-Q309 VanDerWaalsContact O-N 3.16Å; W307-M312 VanDerWaalsContact O-CE 3.3Å; W307-M312 WeakPolarHBondContact O-CE 3.4Å; W307-Q460 HydrophobicContact CB-CB 4.25Å; W307-Q460 WeakPolarHBondContact O-CG 3.2Å; W307-F464 HydrophobicContact CD2-CB 4.28Å; W307-F464 AromaticContact CD2-CD2 3.94Å; W307-F464 HydrophobicContact CD2-CD2 3.94Å; W307-F464 HydrophobicContact CD2-CG 4.43Å; W307-F464 AromaticContact CE2-CD2 3.47Å; W307-F464 VanDerWaalsContact CE2-CD2 3.47Å; W307-F464 HydrophobicContact CE3-CD2 4.14Å; W307-F464 HydrophobicContact CE3-CE2 4.44Å; W307-F464 HydrophobicContact CG-CB 4.31Å; W307-F464 AromaticContact CH2-CD2 3.47Å; W307-F464 HydrophobicContact CH2-CD2 3.47Å; W307-F464 VanDerWaalsContact CH2-CD2 3.47Å; W307-F464 AromaticContact CH2-CE2 3.5Å; W307-F464 HydrophobicContact CH2-CE2 3.5Å; W307-F464 AromaticContact CZ2-CD2 3.28Å; W307-F464 HydrophobicContact CZ2-CD2 3.28Å; W307-F464 AromaticContact CZ2-CE2 3.81Å; W307-F464 HydrophobicContact CZ2-CE2 3.81Å; W307-F464 HydrophobicContact CZ2-CG 4.35Å; W307-F464 AromaticContact CZ3-CD2 3.91Å; W307-F464 HydrophobicContact CZ3-CD2 3.91Å; W307-F464 AromaticContact CZ3-CE2 3.86Å; W307-F464 HydrophobicContact CZ3-CE2 3.86Å |
| 308 | Q | 93.6 | Very high | 93.2 | Very high | 93 Ų | 93 | 54.6 Ų | 54.6 | 44% | 0.435 | 31% | 0.308 | S | S | . | . | S | Bend | trans | 59.7 | 24 | 175 | -51.3 | -179 | 3.2 | 0 | 0 | 115 | H305 Q310 G311 M312 | H305-Q308 PolarHBondContact O-N 2.97Å; Q308-Q310 PolarHBondContact O-N 3.39Å; Q308-G311 PolarHBondContact O-N 2.93Å; Q308-G311 VanDerWaalsContact O-N 3.1Å; Q308-M312 WeakPolarHBondContact O-CG 3.12Å; Q308-M312 PolarHBondContact O-N 2.99Å |
| 309 | Q | 92.3 | Very high | 93 | Very high | 43 Ų | 43 | 55 Ų | 55 | 20% | 0.201 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -58.2 | -46.9 | -174.2 | -57.5 | 95.9 | -48.2 | 0 | 0 | 112.1 | M302 T303 G304 W307 G311 M312 L313 | M302-Q309 PolarHBondContact O-NE2 2.88Å; T303-Q309 PolarHBondContact O-NE2 3.45Å; G304-Q309 PolarHBondContact O-N 2.9Å; W307-Q309 PolarHBondContact O-N 3.19Å; W307-Q309 VanDerWaalsContact O-N 3.16Å; Q309-G311 VanDerWaalsContact C-N 3.31Å; Q309-G311 PolarHBondContact O-N 2.7Å; Q309-M312 PolarHBondContact O-N 3.08Å; Q309-L313 WeakPolarHBondContact O-CG 3.31Å; Q309-L313 PolarHBondContact O-N 3.05Å |
| 310 | Q | 91.9 | Very high | 92.5 | Very high | 96 Ų | 96 | 54.9 Ų | 54.9 | 45% | 0.449 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.9 | -37.4 | 178.1 | -172.4 | 66.7 | -0.4 | 0 | 0 | 112 | G304 Q308 L313 T314 | G304-Q310 WeakPolarHBondContact O-CB 3.47Å; G304-Q310 PolarHBondContact O-N 2.96Å; Q308-Q310 PolarHBondContact O-N 3.39Å; Q310-L313 PolarHBondContact O-N 2.65Å; Q310-T314 WeakPolarHBondContact O-CB 3.48Å; Q310-T314 PolarHBondContact O-N 3.24Å; Q310-T314 PolarHBondContact O-OG1 3.39Å |
| 311 | G | 92.9 | Very high | 92.2 | Very high | 38 Ų | 38 | 57.3 Ų | 57.3 | 39% | 0.392 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -62.7 | -45.1 | 174 | 0 | 0 | 0 | 0 | 0 | 111.4 | Q308 Q309 T314 R315 | Q308-G311 PolarHBondContact O-N 2.93Å; Q308-G311 VanDerWaalsContact O-N 3.1Å; Q309-G311 VanDerWaalsContact C-N 3.31Å; Q309-G311 PolarHBondContact O-N 2.7Å; G311-T314 PolarHBondContact O-N 3.46Å; G311-R315 WeakPolarHBondContact O-CG 3.34Å; G311-R315 PolarHBondContact O-N 3.38Å |
| 312 | M | 94.1 | Very high | 91.9 | Very high | 22 Ų | 22 | 61 Ų | 61 | 11% | 0.108 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -65.4 | -42.7 | 176.2 | -69.6 | -172.6 | -73.2 | 0 | 0 | 112.6 | W307 Q308 Q309 T314 R315 L316 L453 W457 Q460 | W307-M312 VanDerWaalsContact O-CE 3.3Å; W307-M312 WeakPolarHBondContact O-CE 3.4Å; Q308-M312 WeakPolarHBondContact O-CG 3.12Å; Q308-M312 PolarHBondContact O-N 2.99Å; Q309-M312 PolarHBondContact O-N 3.08Å; M312-T314 VanDerWaalsContact C-N 3.34Å; M312-T314 PolarHBondContact O-N 3.11Å; M312-R315 PolarHBondContact O-N 3.04Å; M312-L316 WeakPolarHBondContact O-CB 3.4Å; M312-L316 PolarHBondContact O-N 3.5Å; M312-L453 HydrophobicContact CB-CD1 3.89Å; M312-L453 HydrophobicContact CG-CD1 3.91Å; M312-W457 VanDerWaalsContact SD-CA 3.51Å; M312-W457 HydrophobicContact SD-CB 3.78Å; M312-W457 HydrophobicContact SD-CG 4.5Å; M312-Q460 HydrophobicContact CE-CB 4.26Å; M312-Q460 HydrophobicContact CE-CG 4.23Å |
| 313 | L | 91.7 | Very high | 91.5 | Very high | 106 Ų | 106 | 63 Ų | 63 | 56% | 0.555 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -62.6 | -40.2 | 175.5 | -73.8 | 173.2 | 0 | 0 | 0 | 112.1 | Q309 Q310 L316 G317 | Q309-L313 WeakPolarHBondContact O-CG 3.31Å; Q309-L313 PolarHBondContact O-N 3.05Å; Q310-L313 PolarHBondContact O-N 2.65Å; L313-L316 PolarHBondContact O-N 2.96Å; L313-G317 PolarHBondContact O-N 3.46Å |
| 314 | T | 93.2 | Very high | 90.9 | Very high | 90 Ų | 90 | 62.6 Ų | 62.6 | 55% | 0.552 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -64.7 | -44.6 | 176.4 | -56.9 | 0 | 0 | 0 | 0 | 111 | Q310 G311 M312 G317 A318 | Q310-T314 WeakPolarHBondContact O-CB 3.48Å; Q310-T314 PolarHBondContact O-N 3.24Å; Q310-T314 PolarHBondContact O-OG1 3.39Å; G311-T314 PolarHBondContact O-N 3.46Å; M312-T314 VanDerWaalsContact C-N 3.34Å; M312-T314 PolarHBondContact O-N 3.11Å; T314-G317 PolarHBondContact O-N 3Å; T314-A318 PolarHBondContact O-N 3.13Å |
| 315 | R | 95.2 | Very high | 90.5 | Very high | 128 Ų | 128 | 67 Ų | 67 | 48% | 0.483 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60.8 | -45.2 | 173.9 | -72.7 | -178.8 | -172.8 | 179.8 | 5.9 | 111.4 | G311 M312 G317 A318 I319 L453 D456 | G311-R315 WeakPolarHBondContact O-CG 3.34Å; G311-R315 PolarHBondContact O-N 3.38Å; M312-R315 PolarHBondContact O-N 3.04Å; R315-G317 VanDerWaalsContact C-N 3.34Å; R315-G317 PolarHBondContact O-N 3.3Å; R315-A318 WeakPolarHBondContact O-CB 3.35Å; R315-A318 PolarHBondContact O-N 3.39Å; R315-A318 VanDerWaalsContact O-N 3.16Å; R315-I319 VanDerWaalsContact O-CG1 3.27Å; R315-I319 WeakPolarHBondContact O-CG1 3.25Å; R315-I319 PolarHBondContact O-N 3.3Å; R315-L453 HydrophobicContact CB-CD1 4.05Å; R315-D456 IonicContact NH1-OD2 3.73Å; R315-D456 PolarHBondContact NH1-OD2 3.3Å |
| 316 | L | 92.8 | Very high | 89.9 | Confident | 70 Ų | 70 | 65.9 Ų | 65.9 | 37% | 0.366 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -58.5 | -46.1 | 176 | -177 | 60.7 | 0 | 0 | 0 | 111.5 | M312 L313 A318 I319 V320 L450 L453 | M312-L316 WeakPolarHBondContact O-CB 3.4Å; M312-L316 PolarHBondContact O-N 3.5Å; L313-L316 PolarHBondContact O-N 2.96Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 2.96Å; L316-I319 PolarHBondContact O-N 2.98Å; L316-V320 HydrophobicContact CD1-CG2 4.47Å; L316-V320 WeakPolarHBondContact O-CG2 3.44Å; L316-V320 PolarHBondContact O-N 3.28Å; L316-L450 HydrophobicContact CD1-CD2 4.12Å; L316-L453 HydrophobicContact CB-CD2 3.84Å; L316-L453 HydrophobicContact CD1-CD2 4.08Å |
| 317 | G | 88 | Confident | 89.2 | Confident | 35 Ų | 35 | 70 Ų | 70 | 36% | 0.361 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -56.9 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L313 T314 R315 V320 Q321 | L313-G317 PolarHBondContact O-N 3.46Å; T314-G317 PolarHBondContact O-N 3Å; R315-G317 VanDerWaalsContact C-N 3.34Å; R315-G317 PolarHBondContact O-N 3.3Å; G317-V320 PolarHBondContact O-N 3.03Å; G317-Q321 WeakPolarHBondContact O-CG 3.47Å; G317-Q321 PolarHBondContact O-N 3.02Å |
| 318 | A | 93.1 | Very high | 88.2 | Confident | 58 Ų | 58 | 73.4 Ų | 73.4 | 48% | 0.479 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -63.7 | -41.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | T314 R315 L316 Q321 R322 | T314-A318 PolarHBondContact O-N 3.13Å; R315-A318 WeakPolarHBondContact O-CB 3.35Å; R315-A318 PolarHBondContact O-N 3.39Å; R315-A318 VanDerWaalsContact O-N 3.16Å; L316-A318 VanDerWaalsContact C-N 3.31Å; L316-A318 PolarHBondContact O-N 2.96Å; A318-Q321 PolarHBondContact O-N 3.41Å; A318-R322 VanDerWaalsContact O-CB 3.31Å; A318-R322 WeakPolarHBondContact O-CB 3.29Å; A318-R322 PolarHBondContact O-N 2.88Å |
| 319 | I | 91.7 | Very high | 87.5 | Confident | 14 Ų | 14 | 73.7 Ų | 73.7 | 7% | 0.072 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -61.9 | -45.6 | 175.6 | -65.7 | 166.6 | 0 | 0 | 0 | 110.5 | R315 L316 Q321 R322 H323 I446 Q449 L450 L453 | R315-I319 VanDerWaalsContact O-CG1 3.27Å; R315-I319 WeakPolarHBondContact O-CG1 3.25Å; R315-I319 PolarHBondContact O-N 3.3Å; L316-I319 PolarHBondContact O-N 2.98Å; I319-Q321 PolarHBondContact O-N 2.82Å; I319-R322 PolarHBondContact O-N 2.83Å; I319-H323 WeakPolarHBondContact O-CB 3.48Å; I319-H323 PolarHBondContact O-N 3.09Å; I319-I446 HydrophobicContact CG2-CD1 4.47Å; I319-I446 HydrophobicContact CG2-CG2 3.84Å; I319-Q449 HydrophobicContact CD1-CB 3.84Å; I319-Q449 HydrophobicContact CG1-CB 3.91Å; I319-L450 HydrophobicContact CD1-CD2 4.25Å; I319-L450 HydrophobicContact CG2-CD2 3.85Å; I319-L450 HydrophobicContact CG2-CG 3.99Å; I319-L453 HydrophobicContact CD1-CB 4.38Å; I319-L453 HydrophobicContact CD1-CD2 3.95Å |
| 320 | V | 84.8 | Confident | 86.6 | Confident | 80 Ų | 80 | 74.1 Ų | 74.1 | 49% | 0.485 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -61.7 | -44.3 | 177.8 | 170.6 | 0 | 0 | 0 | 0 | 111.2 | L316 G317 H323 L324 | L316-V320 HydrophobicContact CD1-CG2 4.47Å; L316-V320 WeakPolarHBondContact O-CG2 3.44Å; L316-V320 PolarHBondContact O-N 3.28Å; G317-V320 PolarHBondContact O-N 3.03Å; V320-H323 PolarHBondContact O-N 3.42Å; V320-L324 PolarHBondContact O-N 3.49Å |
| 321 | Q | 85.2 | Confident | 85.8 | Confident | 115 Ų | 115 | 70.2 Ų | 70.2 | 54% | 0.537 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -64 | -41.6 | 176.1 | -70.9 | -60.3 | -40.7 | 0 | 0 | 112 | G317 A318 I319 L324 Q325 | G317-Q321 WeakPolarHBondContact O-CG 3.47Å; G317-Q321 PolarHBondContact O-N 3.02Å; A318-Q321 PolarHBondContact O-N 3.41Å; I319-Q321 PolarHBondContact O-N 2.82Å; Q321-L324 PolarHBondContact O-N 2.78Å; Q321-Q325 WeakPolarHBondContact O-CG 3.45Å; Q321-Q325 PolarHBondContact O-N 3.47Å |
| 322 | R | 89.7 | Confident | 84.9 | Confident | 77 Ų | 77 | 71.8 Ų | 71.8 | 29% | 0.291 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 176.9 | -176.5 | 61.4 | 178.4 | 150.5 | 6.4 | 111.7 | A318 I319 L324 Q325 L326 E445 I446 | A318-R322 VanDerWaalsContact O-CB 3.31Å; A318-R322 WeakPolarHBondContact O-CB 3.29Å; A318-R322 PolarHBondContact O-N 2.88Å; I319-R322 PolarHBondContact O-N 2.83Å; R322-L324 VanDerWaalsContact C-N 3.34Å; R322-L324 PolarHBondContact O-N 3.03Å; R322-Q325 PolarHBondContact O-N 3.13Å; R322-L326 WeakPolarHBondContact O-CG 3.41Å; R322-L326 PolarHBondContact O-N 3.02Å; R322-E445 IonicContact CZ-OE1 3.15Å; R322-E445 IonicContact NE-OE1 2.71Å; R322-E445 PolarHBondContact NE-OE1 3.47Å; R322-E445 VanDerWaalsContact NE-OE1 3.15Å; R322-E445 IonicContact NE-OE2 3.42Å; R322-E445 IonicContact NH2-OE1 3.7Å; R322-E445 IonicContact NH2-OE2 3.73Å; R322-E445 PolarHBondContact NH2-OE2 3.48Å; R322-I446 HydrophobicContact CB-CD1 4Å; R322-I446 HydrophobicContact CG-CD1 3.74Å |
| 323 | H | 84.8 | Confident | 84.1 | Confident | 60 Ų | 60 | 79.2 Ų | 79.2 | 28% | 0.278 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -59.4 | -45.4 | 174.6 | 178.3 | -99.2 | 0 | 0 | 0 | 111.3 | I319 V320 Q325 L326 Q327 I446 | I319-H323 WeakPolarHBondContact O-CB 3.48Å; I319-H323 PolarHBondContact O-N 3.09Å; V320-H323 PolarHBondContact O-N 3.42Å; H323-Q325 VanDerWaalsContact C-N 3.35Å; H323-Q325 PolarHBondContact O-N 2.95Å; H323-L326 PolarHBondContact O-N 3Å; H323-Q327 WeakPolarHBondContact O-CB 3.29Å; H323-Q327 PolarHBondContact O-N 2.93Å; H323-I446 HydrophobicContact CB-CD1 4.03Å; H323-I446 HydrophobicContact CB-CG1 4.17Å; H323-I446 HydrophobicContact CB-CG2 4.26Å |
| 324 | L | 79.6 | Confident | 83.6 | Confident | 95 Ų | 95 | 76.2 Ų | 76.2 | 50% | 0.497 | 39% | 0.388 | S | S | . | . | H | α-helix | trans | -61.5 | -41 | 176.8 | -174.5 | 66.7 | 0 | 0 | 0 | 112.2 | V320 Q321 R322 Q327 Q328 | V320-L324 PolarHBondContact O-N 3.49Å; Q321-L324 PolarHBondContact O-N 2.78Å; R322-L324 VanDerWaalsContact C-N 3.34Å; R322-L324 PolarHBondContact O-N 3.03Å; L324-Q327 PolarHBondContact O-N 3.37Å; L324-Q328 PolarHBondContact O-N 3.45Å |
| 325 | Q | 82.6 | Confident | 83.2 | Confident | 105 Ų | 105 | 72.2 Ų | 72.2 | 49% | 0.491 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -62.6 | -44.5 | 175.1 | -74.1 | 178.2 | -2.7 | 0 | 0 | 112.4 | Q321 R322 H323 Q327 Q328 Q329 | Q321-Q325 WeakPolarHBondContact O-CG 3.45Å; Q321-Q325 PolarHBondContact O-N 3.47Å; R322-Q325 PolarHBondContact O-N 3.13Å; H323-Q325 VanDerWaalsContact C-N 3.35Å; H323-Q325 PolarHBondContact O-N 2.95Å; Q325-Q327 VanDerWaalsContact C-N 3.32Å; Q325-Q328 PolarHBondContact O-N 3.39Å; Q325-Q329 WeakPolarHBondContact O-CG 3.35Å; Q325-Q329 PolarHBondContact O-N 3.39Å |
| 326 | L | 83.3 | Confident | 82.8 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 15% | 0.147 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -64 | -40.9 | 177.3 | -70.6 | 174.5 | 0 | 0 | 0 | 111.2 | R322 H323 Q328 Q329 Q330 P443 I446 | R322-L326 WeakPolarHBondContact O-CG 3.41Å; R322-L326 PolarHBondContact O-N 3.02Å; H323-L326 PolarHBondContact O-N 3Å; L326-Q328 PolarHBondContact O-N 2.92Å; L326-Q329 PolarHBondContact O-N 3.03Å; L326-Q330 WeakPolarHBondContact O-CB 3.45Å; L326-Q330 PolarHBondContact O-N 2.89Å; L326-P443 HydrophobicContact CB-CG 4.35Å; L326-P443 HydrophobicContact CD1-CB 3.9Å; L326-P443 HydrophobicContact CD1-CG 3.9Å; L326-I446 HydrophobicContact CD1-CD1 4.03Å; L326-I446 HydrophobicContact CD1-CG1 3.9Å |
| 327 | Q | 77.2 | Confident | 82.6 | Confident | 92 Ų | 92 | 66.1 Ų | 66.1 | 43% | 0.43 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -62.2 | -41.5 | 175 | -170.6 | 178.3 | -3 | 0 | 0 | 111.6 | H323 L324 Q325 Q330 S331 | H323-Q327 WeakPolarHBondContact O-CB 3.29Å; H323-Q327 PolarHBondContact O-N 2.93Å; L324-Q327 PolarHBondContact O-N 3.37Å; Q325-Q327 VanDerWaalsContact C-N 3.32Å; Q327-Q330 PolarHBondContact O-N 2.87Å; Q327-S331 WeakPolarHBondContact O-CB 3.47Å; Q327-S331 PolarHBondContact O-N 3.11Å |
| 328 | Q | 73.6 | Confident | 82.8 | Confident | 97 Ų | 97 | 64.5 Ų | 64.5 | 45% | 0.453 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -65.9 | -43.5 | 175.1 | -171.9 | 61.8 | 46.4 | 0 | 0 | 111.9 | L324 Q325 L326 Q330 S331 D332 | L324-Q328 PolarHBondContact O-N 3.45Å; Q325-Q328 PolarHBondContact O-N 3.39Å; L326-Q328 PolarHBondContact O-N 2.92Å; Q328-Q330 VanDerWaalsContact C-N 3.29Å; Q328-Q330 PolarHBondContact O-N 3.45Å; Q328-S331 VanDerWaalsContact O-CB 3.28Å; Q328-S331 WeakPolarHBondContact O-CB 3.48Å; Q328-S331 PolarHBondContact O-N 3.24Å; Q328-D332 PolarHBondContact NE2-OD1 2.97Å; Q328-D332 VanDerWaalsContact O-CG 3.24Å; Q328-D332 PolarHBondContact O-N 3.08Å |
| 329 | Q | 79.1 | Confident | 82.7 | Confident | 98 Ų | 98 | 65.3 Ų | 65.3 | 46% | 0.458 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -62.2 | -37.2 | 176.3 | -72.5 | 177.6 | 2.2 | 0 | 0 | 112.3 | Q325 L326 K333 | Q325-Q329 WeakPolarHBondContact O-CG 3.35Å; Q325-Q329 PolarHBondContact O-N 3.39Å; L326-Q329 PolarHBondContact O-N 3.03Å; Q329-K333 VanDerWaalsContact O-CG 3.27Å; Q329-K333 WeakPolarHBondContact O-CG 3.35Å; Q329-K333 PolarHBondContact O-N 3.44Å; Q329-K333 VanDerWaalsContact O-N 3.16Å |
| 330 | Q | 75.1 | Confident | 82.5 | Confident | 53 Ų | 53 | 71 Ų | 71 | 25% | 0.248 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -71.7 | -38.4 | 175.1 | -171.1 | 170.9 | 19.6 | 0 | 0 | 111.6 | L326 Q327 Q328 K333 T334 | L326-Q330 WeakPolarHBondContact O-CB 3.45Å; L326-Q330 PolarHBondContact O-N 2.89Å; Q327-Q330 PolarHBondContact O-N 2.87Å; Q328-Q330 VanDerWaalsContact C-N 3.29Å; Q328-Q330 PolarHBondContact O-N 3.45Å; Q330-K333 PolarHBondContact O-N 3.21Å; Q330-T334 WeakPolarHBondContact O-CB 3.35Å; Q330-T334 PolarHBondContact O-N 2.56Å; Q330-T334 PolarHBondContact O-OG1 2.78Å |
| 331 | S | 73.3 | Confident | 82.5 | Confident | 14 Ų | 14 | 70.6 Ų | 70.6 | 10% | 0.098 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -56 | -53.4 | 171.8 | 166.5 | 0 | 0 | 0 | 0 | 110.7 | Q327 Q328 K333 T334 A335 Q367 T431 | Q327-S331 WeakPolarHBondContact O-CB 3.47Å; Q327-S331 PolarHBondContact O-N 3.11Å; Q328-S331 VanDerWaalsContact O-CB 3.28Å; Q328-S331 WeakPolarHBondContact O-CB 3.48Å; Q328-S331 PolarHBondContact O-N 3.24Å; S331-K333 VanDerWaalsContact C-N 3.29Å; S331-K333 PolarHBondContact O-N 2.9Å; S331-T334 PolarHBondContact O-N 3.5Å; S331-T334 PolarHBondContact O-OG1 3.24Å; S331-A335 WeakPolarHBondContact O-CB 3.46Å; S331-A335 PolarHBondContact O-N 2.81Å; S331-Q367 VanDerWaalsContact CA-OE1 3.25Å; S331-Q367 PolarHBondContact O-NE2 3.3Å; S331-Q367 PolarHBondContact O-OE1 3.33Å; S331-Q367 PolarHBondContact OG-OE1 3.02Å; S331-T431 PolarHBondContact OG-OG1 2.85Å; S331-T431 VanDerWaalsContact OG-OG1 3.06Å |
| 332 | D | 73.9 | Confident | 81.6 | Confident | 71 Ų | 71 | 69.3 Ų | 69.3 | 38% | 0.38 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.5 | -38.9 | 177.6 | -64.4 | -12 | 0 | 0 | 0 | 112.4 | Q328 H419 | Q328-D332 PolarHBondContact NE2-OD1 2.97Å; Q328-D332 VanDerWaalsContact O-CG 3.24Å; Q328-D332 PolarHBondContact O-N 3.08Å; D332-H419 PolarHBondContact O-NE2 3.06Å |
| 333 | K | 78.3 | Confident | 80.3 | Confident | 177 Ų | 177 | 68.2 Ų | 68.2 | 77% | 0.77 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -69.7 | -35.4 | 178.6 | -78.3 | 175.5 | -178.5 | 177.9 | 0 | 113.7 | Q329 Q330 S331 | Q329-K333 VanDerWaalsContact O-CG 3.27Å; Q329-K333 WeakPolarHBondContact O-CG 3.35Å; Q329-K333 PolarHBondContact O-N 3.44Å; Q329-K333 VanDerWaalsContact O-N 3.16Å; Q330-K333 PolarHBondContact O-N 3.21Å; S331-K333 VanDerWaalsContact C-N 3.29Å; S331-K333 PolarHBondContact O-N 2.9Å |
| 334 | T | 80.4 | Confident | 79 | Confident | 43 Ų | 43 | 73 Ų | 73 | 26% | 0.264 | 39% | 0.394 | S | S | . | . | H | α-helix | trans | -100.3 | -11.3 | -173.5 | 54 | 0 | 0 | 0 | 0 | 113.3 | Q330 S331 Q367 A433 | Q330-T334 WeakPolarHBondContact O-CB 3.35Å; Q330-T334 PolarHBondContact O-N 2.56Å; Q330-T334 PolarHBondContact O-OG1 2.78Å; S331-T334 PolarHBondContact O-N 3.5Å; S331-T334 PolarHBondContact O-OG1 3.24Å; T334-Q367 PolarHBondContact OG1-NE2 2.89Å; T334-A433 WeakPolarHBondContact O-CB 3.3Å |
| 335 | A | 84.8 | Confident | 78.2 | Confident | 6 Ų | 6 | 78.2 Ų | 78.2 | 5% | 0.05 | 41% | 0.412 | C | S | . | . | B | Isolated β-bridge | trans | -66.7 | 141 | 179.9 | 0 | 0 | 0 | 0 | 0 | 110.7 | S331 T337 Q367 H419 T431 | S331-A335 WeakPolarHBondContact O-CB 3.46Å; S331-A335 PolarHBondContact O-N 2.81Å; A335-T337 PolarHBondContact O-N 3.23Å; A335-T337 PolarHBondContact O-OG1 2.88Å; A335-Q367 VanDerWaalsContact N-NE2 3.13Å; A335-H419 HydrophobicContact CB-CB 4.15Å; A335-H419 WeakPolarHBondContact CB-CD2 3.31Å; A335-T431 HydrophobicContact CB-CG2 4.23Å |
| 336 | L | 87.6 | Confident | 77.1 | Confident | 9 Ų | 9 | 76 Ų | 76 | 5% | 0.047 | 41% | 0.408 | C | S | . | . | trans | -65.9 | 104.3 | 178.6 | 177.7 | 59.6 | 0 | 0 | 0 | 109.1 | L353 P354 V357 L364 L420 L432 L434 | L336-L353 HydrophobicContact CD2-CD2 4.29Å; L336-P354 HydrophobicContact CD1-CG 3.88Å; L336-V357 HydrophobicContact CD1-CG2 4.2Å; L336-L364 HydrophobicContact CD2-CD1 3.99Å; L336-L364 HydrophobicContact CD2-CD2 3.71Å; L336-L420 HydrophobicContact CD2-CD1 3.71Å; L336-L420 HydrophobicContact CG-CD1 4.19Å; L336-L420 PolarHBondContact O-N 2.8Å; L336-L432 WeakPolarHBondContact CB-O 3.49Å; L336-L432 PolarHBondContact N-O 3.43Å; L336-L434 HydrophobicContact CD1-CD1 4.12Å; L336-L434 HydrophobicContact CD1-CG 4.24Å | ||
| 337 | T | 89.6 | Confident | 76.6 | Confident | 62 Ų | 62 | 87.5 Ų | 87.5 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | B | Isolated β-bridge | trans | -85.7 | 123.4 | 176.3 | -46.5 | 0 | 0 | 0 | 0 | 109.6 | A335 P354 Q418 | A335-T337 PolarHBondContact O-N 3.23Å; A335-T337 PolarHBondContact O-OG1 2.88Å; T337-P354 WeakPolarHBondContact O-CG 3.46Å; T337-Q418 CarbonylContact C-O 3.42Å; T337-Q418 WeakPolarHBondContact CA-O 3.31Å; T337-Q418 HydrophobicContact CG2-CB 3.98Å |
| 338 | V | 91.6 | Very high | 76.4 | Confident | 1 Ų | 1 | 88.7 Ų | 88.7 | 1% | 0.006 | 45% | 0.45 | C | S | . | . | P | Polyproline II helix | trans | -90.3 | 150.1 | 174.7 | -64.8 | 0 | 0 | 0 | 0 | 110.7 | Y351 L353 L391 V414 Q418 L420 | V338-Y351 HydrophobicContact CB-CD1 4.5Å; V338-Y351 HydrophobicContact CG2-CD1 3.53Å; V338-Y351 HydrophobicContact CG2-CE1 4.32Å; V338-Y351 HydrophobicContact CG2-CG 3.77Å; V338-L353 HydrophobicContact CG1-CD2 4.4Å; V338-L391 HydrophobicContact CB-CD2 4.44Å; V338-L391 HydrophobicContact CG1-CD1 4.06Å; V338-L391 HydrophobicContact CG1-CD2 3.94Å; V338-L391 HydrophobicContact CG2-CD2 4.41Å; V338-V414 HydrophobicContact CG2-CG1 3.59Å; V338-V414 HydrophobicContact CG2-CG2 4.06Å; V338-Q418 HydrophobicContact CG2-CB 4.34Å; V338-Q418 VanDerWaalsContact CG2-O 3.27Å; V338-Q418 WeakPolarHBondContact CG2-O 3.49Å; V338-Q418 PolarHBondContact N-O 3.36Å; V338-Q418 WeakPolarHBondContact O-CB 3.46Å; V338-Q418 PolarHBondContact O-OE1 3.4Å; V338-L420 HydrophobicContact CG1-CD1 3.85Å; V338-L420 HydrophobicContact CG1-CG 4Å |
| 339 | I | 90 | Very high | 76.8 | Confident | 75 Ų | 75 | 88.3 Ų | 88.3 | 39% | 0.385 | 45% | 0.449 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 121.4 | -178.6 | -57.6 | 171.6 | 0 | 0 | 0 | 108.9 | Y351 Q352 P354 | I339-Y351 CarbonylContact O-C 3.58Å; I339-Y351 VanDerWaalsContact O-CA 3.26Å; I339-Y351 WeakPolarHBondContact O-CA 3.36Å; I339-Q352 PolarHBondContact N-O 2.86Å; I339-Q352 PolarHBondContact O-N 3.41Å; I339-P354 HydrophobicContact CD1-CB 4.3Å |
| 340 | R | 87.9 | Confident | 77.2 | Confident | 132 Ų | 132 | 87.5 Ų | 87.5 | 50% | 0.498 | 45% | 0.445 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -72.2 | 126.5 | 173.6 | -174.1 | 178.3 | 178.4 | -176 | 1.7 | 111.5 | Y351 | R340-Y351 HydrophobicContact CB-CD1 4.2Å; R340-Y351 HydrophobicContact CB-CE1 4.2Å; R340-Y351 HydrophobicContact CG-CE1 4.31Å |
| 341 | L | 85.1 | Confident | 78 | Confident | 73 Ų | 73 | 86.5 Ų | 86.5 | 38% | 0.382 | 44% | 0.439 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 116.7 | 173.4 | -65.9 | 171.4 | 0 | 0 | 0 | 109.8 | G343 Q350 Q352 | L341-G343 PolarHBondContact O-N 3.33Å; L341-Q350 HydrophobicContact CB-CB 4.31Å; L341-Q350 HydrophobicContact CD1-CB 4.38Å; L341-Q350 PolarHBondContact N-O 3.49Å; L341-Q352 HydrophobicContact CD1-CB 4.34Å; L341-Q352 HydrophobicContact CG-CB 4.43Å |
| 342 | G | 65.9 | Low | 78.8 | Confident | 88 Ų | 88 | 90.7 Ų | 90.7 | 91% | 0.907 | 46% | 0.457 | S | S | * | . | trans | -72.8 | 102.2 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112 | ||||
| 343 | G | 63.6 | Low | 79.6 | Confident | 53 Ų | 53 | 87.6 Ų | 87.6 | 55% | 0.546 | 44% | 0.441 | S | S | . | . | trans | -129 | 114.4 | 169.9 | 0 | 0 | 0 | 0 | 0 | 110.8 | L341 F345 | L341-G343 PolarHBondContact O-N 3.33Å; G343-F345 PolarHBondContact O-N 3.29Å; G343-F345 VanDerWaalsContact O-N 3.12Å | ||
| 344 | I | 56.1 | Low | 80 | Confident | 162 Ų | 162 | 80.3 Ų | 80.3 | 83% | 0.831 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.2 | -12.1 | -176.8 | -63.7 | 172 | 0 | 0 | 0 | 112.5 | ||
| 345 | F | 63.1 | Low | 80 | Confident | 203 Ų | 203 | 84.6 Ų | 84.6 | 89% | 0.89 | 44% | 0.437 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -121.7 | 16.5 | -171.8 | -66.4 | -77.5 | 0 | 0 | 0 | 115.9 | G343 | G343-F345 PolarHBondContact O-N 3.29Å; G343-F345 VanDerWaalsContact O-N 3.12Å |
| 346 | S | 60.8 | Low | 79.8 | Confident | 58 Ų | 58 | 90.1 Ų | 90.1 | 41% | 0.406 | 47% | 0.466 | S | S | . | . | trans | -99.5 | 129.8 | 175.1 | -175.6 | 0 | 0 | 0 | 0 | 112 | R348 | S346-R348 VanDerWaalsContact CB-O 3.3Å; S346-R348 WeakPolarHBondContact CB-O 3.29Å; S346-R348 PolarHBondContact O-N 3.37Å; S346-R348 VanDerWaalsContact O-N 3.16Å; S346-R348 PolarHBondContact OG-N 2.9Å; S346-R348 PolarHBondContact OG-O 3.35Å | ||
| 347 | R | 71 | Confident | 79.6 | Confident | 270 Ų | 270 | 90 Ų | 90 | 100% | 1.019 | 47% | 0.466 | S | S | * | . | S | Bend | trans | -61.1 | -17.7 | 170.8 | -78.5 | -175.5 | 178.3 | 178.6 | -0.3 | 113.1 | ||
| 348 | R | 74.3 | Confident | 79.2 | Confident | 117 Ų | 117 | 92.1 Ų | 92.1 | 44% | 0.442 | 48% | 0.478 | S | S | . | . | S | Bend | trans | -128.7 | 137.5 | -178.3 | -174 | -176.1 | 177.8 | 146.5 | 6.2 | 110.3 | S346 Q350 K393 | S346-R348 VanDerWaalsContact CB-O 3.3Å; S346-R348 WeakPolarHBondContact CB-O 3.29Å; S346-R348 PolarHBondContact O-N 3.37Å; S346-R348 VanDerWaalsContact O-N 3.16Å; S346-R348 PolarHBondContact OG-N 2.9Å; S346-R348 PolarHBondContact OG-O 3.35Å; R348-Q350 PolarHBondContact O-N 2.99Å; R348-K393 PolarHBondContact NH1-O 2.83Å |
| 349 | Q | 81.9 | Confident | 78.9 | Confident | 89 Ų | 89 | 94.5 Ų | 94.5 | 42% | 0.416 | 50% | 0.498 | S | S | . | . | trans | -67.6 | 128.3 | 171.6 | -58.2 | -171 | 26.3 | 0 | 0 | 109.6 | Y351 | Q349-Y351 HydrophobicContact CB-CE2 3.85Å; Q349-Y351 PolarHBondContact OE1-OH 2.95Å | ||
| 350 | Q | 87 | Confident | 78.7 | Confident | 81 Ų | 81 | 95.6 Ų | 95.6 | 38% | 0.379 | 51% | 0.512 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.7 | 140.5 | 176.3 | -63.5 | -176.9 | -18.6 | 0 | 0 | 108.8 | L341 R348 S392 | L341-Q350 HydrophobicContact CB-CB 4.31Å; L341-Q350 HydrophobicContact CD1-CB 4.38Å; L341-Q350 PolarHBondContact N-O 3.49Å; R348-Q350 PolarHBondContact O-N 2.99Å; Q350-S392 WeakPolarHBondContact CG-O 3.48Å |
| 351 | Y | 91.4 | Very high | 78.7 | Confident | 32 Ų | 32 | 93 Ų | 93 | 13% | 0.125 | 51% | 0.511 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.8 | 159.7 | -179.6 | -57.4 | -87.2 | 0 | 0 | 0 | 110.7 | V338 I339 R340 Q349 L391 V414 Q418 | V338-Y351 HydrophobicContact CB-CD1 4.5Å; V338-Y351 HydrophobicContact CG2-CD1 3.53Å; V338-Y351 HydrophobicContact CG2-CE1 4.32Å; V338-Y351 HydrophobicContact CG2-CG 3.77Å; I339-Y351 CarbonylContact O-C 3.58Å; I339-Y351 VanDerWaalsContact O-CA 3.26Å; I339-Y351 WeakPolarHBondContact O-CA 3.36Å; R340-Y351 HydrophobicContact CB-CD1 4.2Å; R340-Y351 HydrophobicContact CB-CE1 4.2Å; R340-Y351 HydrophobicContact CG-CE1 4.31Å; Q349-Y351 HydrophobicContact CB-CE2 3.85Å; Q349-Y351 PolarHBondContact OE1-OH 2.95Å; Y351-L391 PolarHBondContact N-O 3.37Å; Y351-L391 CarbonylContact O-C 3.58Å; Y351-L391 WeakPolarHBondContact O-CB 3.45Å; Y351-V414 HydrophobicContact CD1-CG1 4.06Å; Y351-V414 HydrophobicContact CD2-CB 4.31Å; Y351-V414 HydrophobicContact CD2-CG1 4.37Å; Y351-V414 HydrophobicContact CD2-CG2 4.05Å; Y351-V414 HydrophobicContact CE1-CB 4.48Å; Y351-V414 HydrophobicContact CE1-CG1 3.67Å; Y351-V414 HydrophobicContact CE2-CB 3.94Å; Y351-V414 HydrophobicContact CE2-CG1 4.03Å; Y351-V414 HydrophobicContact CE2-CG2 4.17Å; Y351-V414 HydrophobicContact CG-CG1 4.38Å; Y351-V414 HydrophobicContact CG-CG2 4.41Å; Y351-Q418 HydrophobicContact CE1-CG 4.39Å |
| 352 | Q | 91 | Very high | 78.9 | Confident | 102 Ų | 102 | 89.8 Ų | 89.8 | 48% | 0.477 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -132.5 | 144.8 | 175.7 | -167.5 | 177.2 | -0.5 | 0 | 0 | 110.1 | I339 L341 | I339-Q352 PolarHBondContact N-O 2.86Å; I339-Q352 PolarHBondContact O-N 3.41Å; L341-Q352 HydrophobicContact CD1-CB 4.34Å; L341-Q352 HydrophobicContact CG-CB 4.43Å |
| 353 | L | 89.7 | Confident | 79.9 | Confident | 7 Ų | 7 | 87.9 Ų | 87.9 | 4% | 0.037 | 47% | 0.466 | C | S | . | . | trans | -63.5 | 144.4 | 170.3 | -69.2 | 174.7 | 0 | 0 | 0 | 110.3 | L336 V338 V357 L362 R384 L387 E388 L391 | L336-L353 HydrophobicContact CD2-CD2 4.29Å; V338-L353 HydrophobicContact CG1-CD2 4.4Å; L353-V357 HydrophobicContact CD1-CG1 4.37Å; L353-L362 HydrophobicContact CD1-CD1 3.68Å; L353-R384 HydrophobicContact CD1-CG 4.16Å; L353-L387 HydrophobicContact CD1-CD2 4.34Å; L353-L387 HydrophobicContact CD2-CD2 3.99Å; L353-E388 HydrophobicContact CD1-CG 3.7Å; L353-E388 HydrophobicContact CG-CG 4.22Å; L353-L391 HydrophobicContact CD2-CD1 3.66Å; L353-L391 HydrophobicContact CG-CD1 3.71Å | ||
| 354 | P | 86.9 | Confident | 81.1 | Confident | 24 Ų | 24 | 85.4 Ų | 85.4 | 16% | 0.156 | 44% | 0.44 | C | S | . | . | trans | -65.6 | 150.3 | 175.5 | 25.3 | -29.7 | 0 | 0 | 0 | 111.6 | L336 T337 I339 N356 V357 | L336-P354 HydrophobicContact CD1-CG 3.88Å; T337-P354 WeakPolarHBondContact O-CG 3.46Å; I339-P354 HydrophobicContact CD1-CB 4.3Å; P354-N356 WeakPolarHBondContact CB-OD1 3.5Å; P354-N356 PolarHBondContact O-N 3.48Å; P354-N356 VanDerWaalsContact O-N 3.09Å; P354-N356 PolarHBondContact O-OD1 2.85Å; P354-V357 HydrophobicContact CG-CG2 3.93Å; P354-V357 WeakPolarHBondContact O-CB 3.5Å; P354-V357 PolarHBondContact O-N 3.44Å | ||
| 355 | V | 81.8 | Confident | 82.5 | Confident | 133 Ų | 133 | 80.4 Ų | 80.4 | 81% | 0.806 | 41% | 0.414 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.4 | -23.8 | -167.1 | -170.8 | 0 | 0 | 0 | 0 | 113.3 | V357 | V355-V357 PolarHBondContact O-N 2.87Š|
| 356 | N | 79.7 | Confident | 83.6 | Confident | 122 Ų | 122 | 71.3 Ų | 71.3 | 65% | 0.652 | 38% | 0.375 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.7 | -11.9 | 177.6 | 59.3 | -15.9 | 0 | 0 | 0 | 114.1 | P354 T358 | P354-N356 WeakPolarHBondContact CB-OD1 3.5Å; P354-N356 PolarHBondContact O-N 3.48Å; P354-N356 VanDerWaalsContact O-N 3.09Å; P354-N356 PolarHBondContact O-OD1 2.85Å; N356-T358 PolarHBondContact O-N 3.15Å |
| 357 | V | 83.4 | Confident | 84.6 | Confident | 6 Ų | 6 | 70.6 Ų | 70.6 | 4% | 0.036 | 37% | 0.365 | C | S | . | . | trans | -91 | 91.8 | -179.2 | -176.7 | 0 | 0 | 0 | 0 | 109.9 | L336 L353 P354 V355 L362 R384 L434 | L336-V357 HydrophobicContact CD1-CG2 4.2Å; L353-V357 HydrophobicContact CD1-CG1 4.37Å; P354-V357 HydrophobicContact CG-CG2 3.93Å; P354-V357 WeakPolarHBondContact O-CB 3.5Å; P354-V357 PolarHBondContact O-N 3.44Å; V355-V357 PolarHBondContact O-N 2.87Å; V357-L362 HydrophobicContact CG1-CD1 3.72Å; V357-L362 HydrophobicContact CG1-CD2 3.24Å; V357-L362 HydrophobicContact CG1-CG 4.12Å; V357-R384 VanDerWaalsContact O-CZ 3.28Å; V357-R384 PolarHBondContact O-NH1 3.36Å; V357-L434 HydrophobicContact CG2-CD1 3.87Å; V357-L434 HydrophobicContact CG2-CD2 4.31Å | ||
| 358 | T | 81.6 | Confident | 85 | Confident | 106 Ų | 106 | 62.5 Ų | 62.5 | 65% | 0.65 | 34% | 0.338 | S | S | * | . | trans | -104.1 | -19.1 | -171.2 | 55.3 | 0 | 0 | 0 | 0 | 115.4 | N356 R384 | N356-T358 PolarHBondContact O-N 3.15Å; T358-R384 PolarHBondContact O-NH1 3.29Å | ||
| 359 | A | 84.5 | Confident | 85.5 | Confident | 51 Ų | 51 | 59.8 Ų | 59.8 | 42% | 0.421 | 34% | 0.335 | S | S | . | . | trans | -63.5 | 141.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | T361 L362 R384 | A359-T361 VanDerWaalsContact C-N 3.31Å; A359-T361 PolarHBondContact O-N 3.34Å; A359-L362 HydrophobicContact CB-CD2 4.15Å; A359-R384 WeakPolarHBondContact O-CB 3.39Å; A359-R384 WeakPolarHBondContact O-CD 3.34Å | ||
| 360 | S | 85.8 | Confident | 85.8 | Confident | 98 Ų | 98 | 55.9 Ų | 55.9 | 69% | 0.685 | 32% | 0.317 | S | S | * | . | S | Bend | trans | -68 | -29.8 | 179.1 | 57.2 | 0 | 0 | 0 | 0 | 113.3 | R384 | S360-R384 VanDerWaalsContact O-CB 3.23Å; S360-R384 WeakPolarHBondContact O-CB 3.48Å; S360-R384 PolarHBondContact O-N 3.45Å |
| 361 | T | 87.3 | Confident | 85.7 | Confident | 77 Ų | 77 | 58.4 Ų | 58.4 | 47% | 0.472 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 126 | 173.5 | -53.9 | 0 | 0 | 0 | 0 | 108.2 | A359 F382 | A359-T361 VanDerWaalsContact C-N 3.31Å; A359-T361 PolarHBondContact O-N 3.34Å; T361-F382 CarbonylContact C-O 3.49Å; T361-F382 WeakPolarHBondContact CA-O 3.34Å; T361-F382 WeakPolarHBondContact CG2-O 3.47Å |
| 362 | L | 89.3 | Confident | 85.3 | Confident | 6 Ų | 6 | 57.4 Ų | 57.4 | 3% | 0.031 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 110.4 | -177.8 | -63 | 174.4 | 0 | 0 | 0 | 109.8 | L353 V357 A359 S381 F382 R384 L387 | L353-L362 HydrophobicContact CD1-CD1 3.68Å; V357-L362 HydrophobicContact CG1-CD1 3.72Å; V357-L362 HydrophobicContact CG1-CD2 3.24Å; V357-L362 HydrophobicContact CG1-CG 4.12Å; A359-L362 HydrophobicContact CB-CD2 4.15Å; L362-S381 CarbonylContact O-C 3.55Å; L362-S381 VanDerWaalsContact O-CA 3.3Å; L362-S381 WeakPolarHBondContact O-CA 3.47Å; L362-F382 PolarHBondContact N-O 3Å; L362-F382 PolarHBondContact O-N 3.1Å; L362-R384 HydrophobicContact CD1-CB 4.25Å; L362-R384 HydrophobicContact CD1-CG 4.23Å; L362-R384 HydrophobicContact CG-CB 4.29Å; L362-L387 HydrophobicContact CD1-CD2 3.87Å |
| 363 | T | 87.7 | Confident | 84.9 | Confident | 49 Ų | 49 | 57.5 Ų | 57.5 | 30% | 0.301 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -85.8 | 115.8 | 165.8 | -62.4 | 0 | 0 | 0 | 0 | 108 | H379 S381 P435 | T363-H379 HydrophobicContact CG2-CB 4.12Å; T363-H379 VanDerWaalsContact CG2-CD2 3.49Å; T363-H379 WeakPolarHBondContact CG2-CD2 3.21Å; T363-S381 PolarHBondContact OG1-OG 3.32Å; T363-P435 HydrophobicContact CG2-CG 4.49Å; T363-P435 WeakPolarHBondContact O-CD 3.49Å; T363-P435 WeakPolarHBondContact O-CG 3.32Å |
| 364 | L | 89.8 | Confident | 84.4 | Confident | 0 Ų | 0 | 64.1 Ų | 64.1 | 0% | 0 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 126 | 177.8 | -59.6 | -179.4 | 0 | 0 | 0 | 109.3 | L336 H379 I380 F382 L387 L420 L432 A433 L434 | L336-L364 HydrophobicContact CD2-CD1 3.99Å; L336-L364 HydrophobicContact CD2-CD2 3.71Å; L364-H379 CarbonylContact O-C 3.58Å; L364-H379 VanDerWaalsContact O-CA 3.24Å; L364-H379 WeakPolarHBondContact O-CA 3.41Å; L364-H379 WeakPolarHBondContact O-CB 3.48Å; L364-I380 PolarHBondContact N-O 3.5Å; L364-I380 PolarHBondContact O-N 3.33Å; L364-F382 HydrophobicContact CB-CE2 4.38Å; L364-F382 HydrophobicContact CD1-CD2 3.85Å; L364-F382 HydrophobicContact CD1-CE2 3.84Å; L364-F382 HydrophobicContact CG-CD2 4.17Å; L364-F382 HydrophobicContact CG-CE2 4.33Å; L364-L387 HydrophobicContact CD1-CD2 4.26Å; L364-L420 HydrophobicContact CD1-CD1 4.48Å; L364-L432 HydrophobicContact CB-CB 4.1Å; L364-L432 HydrophobicContact CB-CD1 4.26Å; L364-L432 HydrophobicContact CB-CD2 4.42Å; L364-L432 HydrophobicContact CD1-CB 4.21Å; L364-L432 HydrophobicContact CD1-CD1 3.85Å; L364-A433 CarbonylContact C-O 3.56Å; L364-A433 WeakPolarHBondContact CA-O 3.35Å; L364-L434 HydrophobicContact CD2-CD2 3.82Å; L364-L434 HydrophobicContact CD2-CG 4.47Å |
| 365 | L | 84.2 | Confident | 84.1 | Confident | 57 Ų | 57 | 65.8 Ų | 65.8 | 30% | 0.298 | 37% | 0.365 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -78.3 | 138.2 | 177 | -60.2 | 178.7 | 0 | 0 | 0 | 109.6 | H379 L432 A433 | L365-H379 HydrophobicContact CD2-CB 3.6Å; L365-L432 CarbonylContact O-C 3.52Å; L365-L432 WeakPolarHBondContact O-CA 3.36Å; L365-A433 PolarHBondContact N-O 2.89Å; L365-A433 PolarHBondContact O-N 3.42Å |
| 366 | L | 86.8 | Confident | 84.3 | Confident | 12 Ų | 12 | 65.9 Ų | 65.9 | 6% | 0.063 | 36% | 0.357 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -79 | 123.6 | 166.9 | -83.8 | 72.1 | 0 | 0 | 0 | 107.8 | K368 L370 L372 V377 V378 I380 V422 L432 | L366-K368 VanDerWaalsContact C-N 3.27Å; L366-K368 WeakPolarHBondContact CB-O 3.49Å; L366-K368 PolarHBondContact O-N 3.11Å; L366-L370 HydrophobicContact CD2-CB 3.91Å; L366-L370 HydrophobicContact CD2-CD1 4.2Å; L366-L370 HydrophobicContact CD2-CG 4.14Å; L366-L372 HydrophobicContact CD2-CD1 4.47Å; L366-V377 HydrophobicContact CD1-CG1 4.14Å; L366-V377 HydrophobicContact CD2-CB 4.45Å; L366-V377 HydrophobicContact CD2-CG1 4.34Å; L366-V378 PolarHBondContact N-O 2.92Å; L366-I380 HydrophobicContact CD1-CD1 3.73Å; L366-I380 HydrophobicContact CD1-CG1 3.67Å; L366-V422 HydrophobicContact CD1-CG1 4.25Å; L366-V422 HydrophobicContact CD2-CG1 3.77Å; L366-V422 HydrophobicContact CG-CG1 3.8Å; L366-L432 HydrophobicContact CD1-CD2 3.62Å; L366-L432 HydrophobicContact CG-CD2 3.87Å |
| 367 | Q | 81.3 | Confident | 84.5 | Confident | 44 Ų | 44 | 60.1 Ų | 60.1 | 21% | 0.206 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -70 | -27.4 | 179 | -71.5 | 177.8 | -19 | 0 | 0 | 112.5 | S331 T334 A335 S430 T431 A433 | S331-Q367 VanDerWaalsContact CA-OE1 3.25Å; S331-Q367 PolarHBondContact O-NE2 3.3Å; S331-Q367 PolarHBondContact O-OE1 3.33Å; S331-Q367 PolarHBondContact OG-OE1 3.02Å; T334-Q367 PolarHBondContact OG1-NE2 2.89Å; A335-Q367 VanDerWaalsContact N-NE2 3.13Å; Q367-S430 PolarHBondContact N-OG 2.97Å; Q367-T431 WeakPolarHBondContact CB-O 3.43Å; Q367-T431 WeakPolarHBondContact CG-O 3.46Å; Q367-T431 PolarHBondContact N-O 2.89Å; Q367-T431 VanDerWaalsContact OE1-CB 3.27Å; Q367-T431 PolarHBondContact OE1-OG1 3.41Å; Q367-A433 HydrophobicContact CG-CB 3.96Å |
| 368 | K | 80.7 | Confident | 84.6 | Confident | 100 Ų | 100 | 63.1 Ų | 63.1 | 44% | 0.435 | 34% | 0.344 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -117.2 | 123.6 | 163.3 | -177.5 | -171.5 | 174.2 | -169.3 | 0 | 109.2 | L366 L370 S430 | L366-K368 VanDerWaalsContact C-N 3.27Å; L366-K368 WeakPolarHBondContact CB-O 3.49Å; L366-K368 PolarHBondContact O-N 3.11Å; K368-L370 PolarHBondContact O-N 2.87Å; K368-S430 PolarHBondContact N-OG 2.65Å; K368-S430 VanDerWaalsContact O-CB 3.28Å; K368-S430 WeakPolarHBondContact O-CB 3.4Å; K368-S430 PolarHBondContact O-OG 3.16Å |
| 369 | P | 83 | Confident | 84.9 | Confident | 60 Ų | 60 | 60.3 Ų | 60.3 | 39% | 0.39 | 32% | 0.324 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -54.5 | 135.2 | 171.6 | -23.6 | 33.2 | 0 | 0 | 0 | 110.9 | E376 V377 V378 | P369-E376 HydrophobicContact CB-CG 4.08Å; P369-V377 WeakPolarHBondContact CA-O 3.42Å; P369-V378 HydrophobicContact CB-CG1 4.32Å; P369-V378 HydrophobicContact CG-CG1 4.28Å |
| 370 | L | 87.9 | Confident | 85.2 | Confident | 6 Ų | 6 | 57.9 Ų | 57.9 | 3% | 0.031 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 146.5 | 176.6 | -72.1 | 178.2 | 0 | 0 | 0 | 109.8 | L366 K368 L372 V377 V422 Q428 S430 | L366-L370 HydrophobicContact CD2-CB 3.91Å; L366-L370 HydrophobicContact CD2-CD1 4.2Å; L366-L370 HydrophobicContact CD2-CG 4.14Å; K368-L370 PolarHBondContact O-N 2.87Å; L370-L372 HydrophobicContact CB-CD2 4.23Å; L370-L372 HydrophobicContact CB-CG 4.16Å; L370-L372 PolarHBondContact O-N 3.05Å; L370-V377 PolarHBondContact N-O 3.48Å; L370-V377 PolarHBondContact O-N 2.94Å; L370-V422 HydrophobicContact CD1-CG1 4.22Å; L370-V422 WeakPolarHBondContact CD1-O 3.46Å; L370-Q428 WeakPolarHBondContact CD1-O 3.41Å; L370-Q428 HydrophobicContact CD2-CB 4.08Å; L370-S430 VanDerWaalsContact CD1-CB 3.48Å |
| 371 | K | 85.6 | Confident | 85.5 | Confident | 135 Ų | 135 | 54 Ų | 54 | 59% | 0.587 | 28% | 0.277 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -82.8 | 103.6 | 169.6 | -155.4 | -179.5 | -172.5 | -168.6 | 0 | 108.7 | D374 M375 | K371-D374 VanDerWaalsContact CE-O 3.31Å; K371-D374 WeakPolarHBondContact CE-O 3.31Å; K371-M375 CarbonylContact C-O 3.55Å; K371-M375 VanDerWaalsContact CA-O 3.28Å; K371-M375 WeakPolarHBondContact CA-O 3.39Å |
| 372 | L | 84.3 | Confident | 85.8 | Confident | 10 Ų | 10 | 50.4 Ų | 50.4 | 5% | 0.052 | 25% | 0.254 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.5 | 126.3 | 177.5 | -56.6 | 175.8 | 0 | 0 | 0 | 107.9 | L366 L370 D374 M375 V377 I380 L401 L410 V422 D424 | L366-L372 HydrophobicContact CD2-CD1 4.47Å; L370-L372 HydrophobicContact CB-CD2 4.23Å; L370-L372 HydrophobicContact CB-CG 4.16Å; L370-L372 PolarHBondContact O-N 3.05Å; L372-D374 VanDerWaalsContact C-N 3.32Å; L372-D374 PolarHBondContact O-N 3.28Å; L372-M375 PolarHBondContact N-O 3.27Å; L372-M375 WeakPolarHBondContact O-CG 3.37Å; L372-M375 PolarHBondContact O-N 2.98Å; L372-V377 HydrophobicContact CB-CG2 3.78Å; L372-V377 HydrophobicContact CD1-CB 4.1Å; L372-V377 HydrophobicContact CD1-CG1 4.27Å; L372-V377 HydrophobicContact CD1-CG2 4.12Å; L372-V377 HydrophobicContact CG-CB 4.36Å; L372-V377 HydrophobicContact CG-CG2 4.16Å; L372-I380 HydrophobicContact CD1-CD1 4.06Å; L372-L401 HydrophobicContact CB-CD1 4.3Å; L372-L401 HydrophobicContact CD1-CD2 4.13Å; L372-L410 HydrophobicContact CD1-CD2 4.3Å; L372-V422 HydrophobicContact CD1-CG2 4.1Å; L372-D424 HydrophobicContact CD2-CB 3.83Å |
| 373 | H | 82.2 | Confident | 85.9 | Confident | 105 Ų | 105 | 56.1 Ų | 56.1 | 49% | 0.486 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 51.4 | 50 | -180 | -57.4 | -81.1 | 0 | 0 | 0 | 112.6 | M375 L401 Q408 K409 | H373-M375 PolarHBondContact O-N 3.11Å; H373-L401 HydrophobicContact CB-CD1 4.35Å; H373-Q408 PolarHBondContact CD2-OE1 3.22Å; H373-Q408 VanDerWaalsContact CD2-OE1 3.26Å; H373-K409 PolarHBondContact NE2-O 3.43Å |
| 374 | D | 79.3 | Confident | 86 | Confident | 145 Ų | 145 | 57.3 Ų | 57.3 | 78% | 0.775 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 62.4 | 4.9 | 179.6 | -64.1 | -44.1 | 0 | 0 | 0 | 117.5 | K371 L372 | K371-D374 VanDerWaalsContact CE-O 3.31Å; K371-D374 WeakPolarHBondContact CE-O 3.31Å; L372-D374 VanDerWaalsContact C-N 3.32Å; L372-D374 PolarHBondContact O-N 3.28Å |
| 375 | M | 80.8 | Confident | 86.1 | Confident | 60 Ų | 60 | 60.9 Ų | 60.9 | 30% | 0.296 | 31% | 0.305 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 146.5 | 173.2 | 64 | 176.6 | 76.9 | 0 | 0 | 112.1 | K371 L372 H373 V377 L401 | K371-M375 CarbonylContact C-O 3.55Å; K371-M375 VanDerWaalsContact CA-O 3.28Å; K371-M375 WeakPolarHBondContact CA-O 3.39Å; L372-M375 PolarHBondContact N-O 3.27Å; L372-M375 WeakPolarHBondContact O-CG 3.37Å; L372-M375 PolarHBondContact O-N 2.98Å; H373-M375 PolarHBondContact O-N 3.11Å; M375-V377 HydrophobicContact CG-CG2 3.76Å; M375-V377 PolarHBondContact O-N 3.06Å; M375-V377 HydrophobicContact SD-CG2 4.24Å; M375-L401 HydrophobicContact CE-CD1 4.29Å; M375-L401 HydrophobicContact CG-CD1 4.2Å; M375-L401 HydrophobicContact SD-CB 3.66Å; M375-L401 HydrophobicContact SD-CD1 3.77Å; M375-L401 HydrophobicContact SD-CG 4.37Å |
| 376 | E | 85.3 | Confident | 86.5 | Confident | 135 Ų | 135 | 59.7 Ų | 59.7 | 63% | 0.631 | 30% | 0.304 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -73.2 | 116.9 | 168.6 | -173.2 | 175 | -153.1 | 0 | 0 | 109.4 | P369 N402 | P369-E376 HydrophobicContact CB-CG 4.08Å; E376-N402 PolarHBondContact O-ND2 2.89Å |
| 377 | V | 84.6 | Confident | 86.7 | Confident | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 30% | 0.301 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.4 | 124.5 | -178.2 | -177.1 | 0 | 0 | 0 | 0 | 109.3 | L366 P369 L370 L372 M375 H379 I380 L401 N402 | L366-V377 HydrophobicContact CD1-CG1 4.14Å; L366-V377 HydrophobicContact CD2-CB 4.45Å; L366-V377 HydrophobicContact CD2-CG1 4.34Å; P369-V377 WeakPolarHBondContact CA-O 3.42Å; L370-V377 PolarHBondContact N-O 3.48Å; L370-V377 PolarHBondContact O-N 2.94Å; L372-V377 HydrophobicContact CB-CG2 3.78Å; L372-V377 HydrophobicContact CD1-CB 4.1Å; L372-V377 HydrophobicContact CD1-CG1 4.27Å; L372-V377 HydrophobicContact CD1-CG2 4.12Å; L372-V377 HydrophobicContact CG-CB 4.36Å; L372-V377 HydrophobicContact CG-CG2 4.16Å; M375-V377 HydrophobicContact CG-CG2 3.76Å; M375-V377 PolarHBondContact O-N 3.06Å; M375-V377 HydrophobicContact SD-CG2 4.24Å; V377-H379 VanDerWaalsContact CG1-O 3.3Å; V377-H379 WeakPolarHBondContact CG1-O 3.33Å; V377-I380 HydrophobicContact CG1-CD1 4.49Å; V377-I380 HydrophobicContact CG1-CG1 3.84Å; V377-L401 HydrophobicContact CG1-CB 4.37Å; V377-L401 HydrophobicContact CG1-CD2 4.16Å; V377-L401 HydrophobicContact CG2-CB 3.95Å; V377-L401 HydrophobicContact CG2-CD1 4.08Å; V377-L401 HydrophobicContact CG2-CD2 4.09Å; V377-L401 HydrophobicContact CG2-CG 4.25Å; V377-N402 WeakPolarHBondContact CA-OD1 3.38Å |
| 378 | V | 84.8 | Confident | 87.3 | Confident | 69 Ų | 69 | 60.4 Ų | 60.4 | 42% | 0.418 | 31% | 0.307 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.5 | -21.8 | 176.1 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | L366 P369 N402 | L366-V378 PolarHBondContact N-O 2.92Å; P369-V378 HydrophobicContact CB-CG1 4.32Å; P369-V378 HydrophobicContact CG-CG1 4.28Å; V378-N402 VanDerWaalsContact CG2-OD1 3.29Å; V378-N402 WeakPolarHBondContact CG2-OD1 3.5Å; V378-N402 PolarHBondContact N-OD1 3.43Å |
| 379 | H | 87 | Confident | 87.8 | Confident | 47 Ų | 47 | 61.3 Ų | 61.3 | 22% | 0.218 | 31% | 0.312 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -153.4 | 157.7 | 174.9 | 69.5 | -95.4 | 0 | 0 | 0 | 112.3 | T363 L364 L365 V377 N402 G403 | T363-H379 HydrophobicContact CG2-CB 4.12Å; T363-H379 VanDerWaalsContact CG2-CD2 3.49Å; T363-H379 WeakPolarHBondContact CG2-CD2 3.21Å; L364-H379 CarbonylContact O-C 3.58Å; L364-H379 VanDerWaalsContact O-CA 3.24Å; L364-H379 WeakPolarHBondContact O-CA 3.41Å; L364-H379 WeakPolarHBondContact O-CB 3.48Å; L365-H379 HydrophobicContact CD2-CB 3.6Å; V377-H379 VanDerWaalsContact CG1-O 3.3Å; V377-H379 WeakPolarHBondContact CG1-O 3.33Å; H379-N402 VanDerWaalsContact CE1-C 3.49Å; H379-N402 VanDerWaalsContact CE1-CA 3.5Å; H379-N402 WeakPolarHBondContact CE1-CA 3.3Å; H379-N402 PolarHBondContact N-OD1 2.96Å; H379-N402 WeakPolarHBondContact NE2-CA 3.41Å; H379-N402 PolarHBondContact NE2-O 3.09Å; H379-N402 WeakPolarHBondContact O-CA 3.37Å; H379-N402 PolarHBondContact O-N 3.07Å; H379-G403 PolarHBondContact NE2-N 2.84Å |
| 380 | I | 92.4 | Very high | 88.3 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -130.4 | 130.1 | 178.6 | -60.6 | 170.2 | 0 | 0 | 0 | 109.3 | L364 L366 L372 V377 F382 K400 L401 L410 V422 | L364-I380 PolarHBondContact N-O 3.5Å; L364-I380 PolarHBondContact O-N 3.33Å; L366-I380 HydrophobicContact CD1-CD1 3.73Å; L366-I380 HydrophobicContact CD1-CG1 3.67Å; L372-I380 HydrophobicContact CD1-CD1 4.06Å; V377-I380 HydrophobicContact CG1-CD1 4.49Å; V377-I380 HydrophobicContact CG1-CG1 3.84Å; I380-F382 HydrophobicContact CB-CE2 3.76Å; I380-F382 HydrophobicContact CB-CZ 4.1Å; I380-F382 HydrophobicContact CG2-CD2 3.99Å; I380-F382 HydrophobicContact CG2-CE1 3.99Å; I380-F382 HydrophobicContact CG2-CE2 3.37Å; I380-F382 HydrophobicContact CG2-CZ 3.39Å; I380-K400 WeakPolarHBondContact CA-O 3.24Å; I380-L401 HydrophobicContact CD1-CD2 4.29Å; I380-L401 HydrophobicContact CG1-CD2 4.02Å; I380-L410 HydrophobicContact CD1-CD1 3.96Å; I380-L410 HydrophobicContact CD1-CD2 4.19Å; I380-L410 HydrophobicContact CG2-CD1 3.59Å; I380-V422 HydrophobicContact CD1-CB 4.39Å; I380-V422 HydrophobicContact CD1-CG1 4.22Å; I380-V422 HydrophobicContact CD1-CG2 4Å |
| 381 | S | 91.1 | Very high | 88.5 | Confident | 17 Ų | 17 | 59.4 Ų | 59.4 | 12% | 0.119 | 30% | 0.297 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 127.9 | 173.6 | -56.3 | 0 | 0 | 0 | 0 | 111.6 | L362 T363 G399 K400 | L362-S381 CarbonylContact O-C 3.55Å; L362-S381 VanDerWaalsContact O-CA 3.3Å; L362-S381 WeakPolarHBondContact O-CA 3.47Å; T363-S381 PolarHBondContact OG1-OG 3.32Å; S381-G399 CarbonylContact O-C 3.59Å; S381-G399 WeakPolarHBondContact O-CA 3.49Å; S381-K400 PolarHBondContact N-O 3.21Å; S381-K400 PolarHBondContact O-N 3.2Å |
| 382 | F | 92.9 | Very high | 88.6 | Confident | 1 Ų | 1 | 54.8 Ų | 54.8 | 0% | 0.004 | 28% | 0.282 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.2 | 144.5 | 176.9 | -60.4 | -88.9 | 0 | 0 | 0 | 110.6 | T361 L362 L364 I380 L387 I397 L410 L412 L432 | T361-F382 CarbonylContact C-O 3.49Å; T361-F382 WeakPolarHBondContact CA-O 3.34Å; T361-F382 WeakPolarHBondContact CG2-O 3.47Å; L362-F382 PolarHBondContact N-O 3Å; L362-F382 PolarHBondContact O-N 3.1Å; L364-F382 HydrophobicContact CB-CE2 4.38Å; L364-F382 HydrophobicContact CD1-CD2 3.85Å; L364-F382 HydrophobicContact CD1-CE2 3.84Å; L364-F382 HydrophobicContact CG-CD2 4.17Å; L364-F382 HydrophobicContact CG-CE2 4.33Å; I380-F382 HydrophobicContact CB-CE2 3.76Å; I380-F382 HydrophobicContact CB-CZ 4.1Å; I380-F382 HydrophobicContact CG2-CD2 3.99Å; I380-F382 HydrophobicContact CG2-CE1 3.99Å; I380-F382 HydrophobicContact CG2-CE2 3.37Å; I380-F382 HydrophobicContact CG2-CZ 3.39Å; F382-L387 HydrophobicContact CB-CB 4.36Å; F382-L387 HydrophobicContact CD1-CD1 4.47Å; F382-I397 HydrophobicContact CD1-CD1 4.15Å; F382-I397 HydrophobicContact CD1-CG1 3.87Å; F382-I397 HydrophobicContact CE1-CG1 3.75Å; F382-L410 HydrophobicContact CE1-CD1 3.66Å; F382-L410 HydrophobicContact CZ-CD1 3.76Å; F382-L412 HydrophobicContact CE1-CD2 4.28Å; F382-L412 HydrophobicContact CZ-CD1 4.38Å; F382-L412 HydrophobicContact CZ-CD2 4.34Å; F382-L432 HydrophobicContact CE2-CD1 4.04Å; F382-L432 HydrophobicContact CZ-CD1 4.26Å |
| 383 | E | 91.4 | Very high | 88.7 | Confident | 127 Ų | 127 | 61.7 Ų | 61.7 | 59% | 0.593 | 31% | 0.312 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -69.8 | 130.5 | 159 | -73.2 | -172.8 | 172.9 | 0 | 0 | 108.7 | S385 A386 L387 | E383-S385 VanDerWaalsContact C-N 3.32Å; E383-S385 PolarHBondContact O-N 2.81Å; E383-A386 HydrophobicContact CB-CB 4.08Å; E383-A386 WeakPolarHBondContact O-CB 3.48Å; E383-A386 PolarHBondContact O-N 3.11Å; E383-A386 VanDerWaalsContact O-N 3.15Å; E383-L387 PolarHBondContact O-N 3.39Å |
| 384 | R | 91 | Very high | 88.9 | Confident | 73 Ų | 73 | 57.5 Ų | 57.5 | 28% | 0.275 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -58.3 | -44.8 | -176 | 176.7 | 178.6 | 167.7 | -173 | 4.5 | 112 | L353 V357 T358 A359 S360 L362 A386 L387 E388 | L353-R384 HydrophobicContact CD1-CG 4.16Å; V357-R384 VanDerWaalsContact O-CZ 3.28Å; V357-R384 PolarHBondContact O-NH1 3.36Å; T358-R384 PolarHBondContact O-NH1 3.29Å; A359-R384 WeakPolarHBondContact O-CB 3.39Å; A359-R384 WeakPolarHBondContact O-CD 3.34Å; S360-R384 VanDerWaalsContact O-CB 3.23Å; S360-R384 WeakPolarHBondContact O-CB 3.48Å; S360-R384 PolarHBondContact O-N 3.45Å; L362-R384 HydrophobicContact CD1-CB 4.25Å; L362-R384 HydrophobicContact CD1-CG 4.23Å; L362-R384 HydrophobicContact CG-CB 4.29Å; R384-A386 VanDerWaalsContact C-N 3.31Å; R384-A386 PolarHBondContact O-N 2.95Å; R384-L387 PolarHBondContact O-N 3.12Å; R384-E388 HydrophobicContact CG-CG 4.31Å; R384-E388 IonicContact CZ-OE1 3.27Å; R384-E388 IonicContact NE-OE1 2.85Å; R384-E388 PolarHBondContact NE-OE1 2.96Å; R384-E388 IonicContact NH2-OE1 2.77Å; R384-E388 PolarHBondContact NH2-OE1 3.15Å; R384-E388 WeakPolarHBondContact O-CG 3.48Å; R384-E388 PolarHBondContact O-N 3.19Å |
| 385 | S | 91.9 | Very high | 89.3 | Confident | 75 Ų | 75 | 53.3 Ų | 53.3 | 52% | 0.524 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -59 | -41.2 | 177.8 | 50.2 | 0 | 0 | 0 | 0 | 112.3 | E383 Q389 | E383-S385 VanDerWaalsContact C-N 3.32Å; E383-S385 PolarHBondContact O-N 2.81Å; S385-Q389 VanDerWaalsContact O-CB 3.31Å; S385-Q389 WeakPolarHBondContact O-CB 3.31Å; S385-Q389 PolarHBondContact O-N 2.71Å |
| 386 | A | 91.9 | Very high | 89.7 | Confident | 33 Ų | 33 | 56.2 Ų | 56.2 | 27% | 0.273 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 177 | 0 | 0 | 0 | 0 | 0 | 111.8 | E383 R384 Q389 W390 I397 | E383-A386 HydrophobicContact CB-CB 4.08Å; E383-A386 WeakPolarHBondContact O-CB 3.48Å; E383-A386 PolarHBondContact O-N 3.11Å; E383-A386 VanDerWaalsContact O-N 3.15Å; R384-A386 VanDerWaalsContact C-N 3.31Å; R384-A386 PolarHBondContact O-N 2.95Å; A386-Q389 PolarHBondContact O-N 2.71Å; A386-W390 WeakPolarHBondContact O-CB 3.4Å; A386-W390 PolarHBondContact O-N 2.86Å; A386-I397 HydrophobicContact CB-CD1 4.36Å |
| 387 | L | 92.5 | Very high | 90.1 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.9 | -42.9 | 176.7 | -172.2 | 62.7 | 0 | 0 | 0 | 112 | L353 L362 L364 F382 E383 R384 Q389 W390 L391 L412 L420 | L353-L387 HydrophobicContact CD1-CD2 4.34Å; L353-L387 HydrophobicContact CD2-CD2 3.99Å; L362-L387 HydrophobicContact CD1-CD2 3.87Å; L364-L387 HydrophobicContact CD1-CD2 4.26Å; F382-L387 HydrophobicContact CB-CB 4.36Å; F382-L387 HydrophobicContact CD1-CD1 4.47Å; E383-L387 PolarHBondContact O-N 3.39Å; R384-L387 PolarHBondContact O-N 3.12Å; L387-Q389 PolarHBondContact O-N 3.15Å; L387-W390 HydrophobicContact CD1-CE3 4.28Å; L387-W390 PolarHBondContact O-N 3.03Å; L387-L391 HydrophobicContact CG-CD1 4.25Å; L387-L391 WeakPolarHBondContact O-CG 3.27Å; L387-L391 PolarHBondContact O-N 3.03Å; L387-L412 HydrophobicContact CD1-CD2 3.92Å; L387-L420 HydrophobicContact CD2-CD1 4.47Å |
| 388 | E | 92.3 | Very high | 90.5 | Very high | 71 Ų | 71 | 57.1 Ų | 57.1 | 33% | 0.332 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -63.2 | -39.6 | 175 | -73.1 | 176.7 | 167.1 | 0 | 0 | 112 | L353 R384 W390 L391 S392 | L353-E388 HydrophobicContact CD1-CG 3.7Å; L353-E388 HydrophobicContact CG-CG 4.22Å; R384-E388 HydrophobicContact CG-CG 4.31Å; R384-E388 IonicContact CZ-OE1 3.27Å; R384-E388 IonicContact NE-OE1 2.85Å; R384-E388 PolarHBondContact NE-OE1 2.96Å; R384-E388 IonicContact NH2-OE1 2.77Å; R384-E388 PolarHBondContact NH2-OE1 3.15Å; R384-E388 WeakPolarHBondContact O-CG 3.48Å; R384-E388 PolarHBondContact O-N 3.19Å; E388-W390 VanDerWaalsContact C-N 3.35Å; E388-L391 PolarHBondContact O-N 3.37Å; E388-S392 WeakPolarHBondContact O-CB 3.44Å; E388-S392 PolarHBondContact O-N 3.4Å; E388-S392 VanDerWaalsContact O-N 3.11Å; E388-S392 PolarHBondContact O-OG 2.97Å |
| 389 | Q | 91.4 | Very high | 90.8 | Very high | 118 Ų | 118 | 53.9 Ų | 53.9 | 55% | 0.551 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.7 | -41 | 173.3 | -176.6 | 175.8 | -9.2 | 0 | 0 | 111.5 | S385 A386 L387 S392 K393 G394 | S385-Q389 VanDerWaalsContact O-CB 3.31Å; S385-Q389 WeakPolarHBondContact O-CB 3.31Å; S385-Q389 PolarHBondContact O-N 2.71Å; A386-Q389 PolarHBondContact O-N 2.71Å; L387-Q389 PolarHBondContact O-N 3.15Å; Q389-S392 WeakPolarHBondContact CA-OG 3.38Å; Q389-S392 PolarHBondContact O-N 2.92Å; Q389-S392 PolarHBondContact O-OG 3.33Å; Q389-S392 VanDerWaalsContact O-OG 3.07Å; Q389-K393 PolarHBondContact O-N 2.81Å; Q389-G394 PolarHBondContact O-N 3.36Å |
| 390 | W | 93.4 | Very high | 90.9 | Very high | 22 Ų | 22 | 56.2 Ų | 56.2 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.9 | -38.2 | 177.1 | -179.5 | 87.3 | 0 | 0 | 0 | 112.6 | A386 L387 E388 S392 G394 G395 I397 L412 V414 L420 | A386-W390 WeakPolarHBondContact O-CB 3.4Å; A386-W390 PolarHBondContact O-N 2.86Å; L387-W390 HydrophobicContact CD1-CE3 4.28Å; L387-W390 PolarHBondContact O-N 3.03Å; E388-W390 VanDerWaalsContact C-N 3.35Å; W390-S392 VanDerWaalsContact C-N 3.28Å; W390-S392 PolarHBondContact O-N 3.1Å; W390-G394 WeakPolarHBondContact O-CA 3.41Å; W390-G394 PolarHBondContact O-N 3.19Å; W390-G395 VanDerWaalsContact CD1-O 3.31Å; W390-G395 PolarHBondContact NE1-O 3.37Å; W390-I397 HydrophobicContact CB-CB 4.4Å; W390-I397 HydrophobicContact CB-CD1 3.99Å; W390-I397 HydrophobicContact CD2-CB 4.37Å; W390-I397 HydrophobicContact CG-CB 3.89Å; W390-I397 HydrophobicContact CG-CD1 4.36Å; W390-I397 HydrophobicContact CG-CG1 4.37Å; W390-I397 HydrophobicContact CG-CG2 4.49Å; W390-L412 HydrophobicContact CD2-CD2 4.32Å; W390-L412 HydrophobicContact CE3-CD2 3.91Å; W390-L412 HydrophobicContact CH2-CB 4.02Å; W390-L412 HydrophobicContact CH2-CD2 3.93Å; W390-L412 HydrophobicContact CH2-CG 3.86Å; W390-L412 HydrophobicContact CZ2-CB 3.94Å; W390-L412 HydrophobicContact CZ2-CD2 4.34Å; W390-L412 HydrophobicContact CZ2-CG 4.28Å; W390-L412 WeakPolarHBondContact CZ2-O 3.17Å; W390-L412 HydrophobicContact CZ3-CD2 3.71Å; W390-L412 HydrophobicContact CZ3-CG 4.11Å; W390-V414 HydrophobicContact CH2-CG2 4.26Å; W390-V414 HydrophobicContact CZ3-CG2 4.1Å; W390-L420 HydrophobicContact CH2-CD2 4.4Å; W390-L420 HydrophobicContact CZ3-CD2 3.74Å |
| 391 | L | 92.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 56.2 Ų | 56.2 | 2% | 0.021 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -65.9 | -30.2 | 175.6 | -72.8 | 168.3 | 0 | 0 | 0 | 113 | V338 Y351 L353 L387 E388 V414 L420 | V338-L391 HydrophobicContact CB-CD2 4.44Å; V338-L391 HydrophobicContact CG1-CD1 4.06Å; V338-L391 HydrophobicContact CG1-CD2 3.94Å; V338-L391 HydrophobicContact CG2-CD2 4.41Å; Y351-L391 PolarHBondContact N-O 3.37Å; Y351-L391 CarbonylContact O-C 3.58Å; Y351-L391 WeakPolarHBondContact O-CB 3.45Å; L353-L391 HydrophobicContact CD2-CD1 3.66Å; L353-L391 HydrophobicContact CG-CD1 3.71Å; L387-L391 HydrophobicContact CG-CD1 4.25Å; L387-L391 WeakPolarHBondContact O-CG 3.27Å; L387-L391 PolarHBondContact O-N 3.03Å; E388-L391 PolarHBondContact O-N 3.37Å; L391-V414 HydrophobicContact CD2-CG2 3.91Å; L391-L420 HydrophobicContact CD2-CD2 4.17Å |
| 392 | S | 88.2 | Confident | 90.5 | Very high | 39 Ų | 39 | 57.3 Ų | 57.3 | 27% | 0.273 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -91.4 | -42.6 | -178.5 | 56.6 | 0 | 0 | 0 | 0 | 114.4 | Q350 E388 Q389 W390 | Q350-S392 WeakPolarHBondContact CG-O 3.48Å; E388-S392 WeakPolarHBondContact O-CB 3.44Å; E388-S392 PolarHBondContact O-N 3.4Å; E388-S392 VanDerWaalsContact O-N 3.11Å; E388-S392 PolarHBondContact O-OG 2.97Å; Q389-S392 WeakPolarHBondContact CA-OG 3.38Å; Q389-S392 PolarHBondContact O-N 2.92Å; Q389-S392 PolarHBondContact O-OG 3.33Å; Q389-S392 VanDerWaalsContact O-OG 3.07Å; W390-S392 VanDerWaalsContact C-N 3.28Å; W390-S392 PolarHBondContact O-N 3.1Å |
| 393 | K | 86 | Confident | 89.8 | Confident | 155 Ų | 155 | 59.1 Ų | 59.1 | 67% | 0.674 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -114.7 | -23.7 | -176 | -62.4 | -179.1 | -178.4 | 177.2 | 0 | 113.2 | R348 Q389 | R348-K393 PolarHBondContact NH1-O 2.83Å; Q389-K393 PolarHBondContact O-N 2.81Å |
| 394 | G | 85.9 | Confident | 89 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 17% | 0.165 | 31% | 0.31 | C | S | . | . | trans | 60.7 | -154.4 | -166.9 | 0 | 0 | 0 | 0 | 0 | 114 | Q389 W390 | Q389-G394 PolarHBondContact O-N 3.36Å; W390-G394 WeakPolarHBondContact O-CA 3.41Å; W390-G394 PolarHBondContact O-N 3.19Å | ||
| 395 | G | 88.2 | Confident | 88.4 | Confident | 58 Ų | 58 | 57.4 Ų | 57.4 | 60% | 0.598 | 33% | 0.325 | S | S | * | . | trans | 110.6 | -155.9 | -166.8 | 0 | 0 | 0 | 0 | 0 | 110.1 | W390 | W390-G395 VanDerWaalsContact CD1-O 3.31Å; W390-G395 PolarHBondContact NE1-O 3.37Å | ||
| 396 | E | 90.2 | Very high | 88.1 | Confident | 120 Ų | 120 | 62.7 Ų | 62.7 | 56% | 0.561 | 34% | 0.339 | S | S | * | . | trans | -79.9 | 132.5 | 174.7 | -60.6 | -166.3 | 157.4 | 0 | 0 | 110.7 | R398 K409 | E396-R398 IonicContact OE2-NH2 2.87Å; E396-K409 HydrophobicContact CG-CD 4.47Å; E396-K409 WeakPolarHBondContact OE1-CE 3.39Å; E396-K409 IonicContact OE1-NZ 2.85Å; E396-K409 PolarHBondContact OE1-NZ 3.38Å | ||
| 397 | I | 93.3 | Very high | 87.8 | Confident | 6 Ų | 6 | 63.2 Ų | 63.2 | 3% | 0.031 | 34% | 0.343 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109 | 138.6 | 168.5 | -171 | 64.5 | 0 | 0 | 0 | 109.2 | F382 A386 W390 L410 L412 | F382-I397 HydrophobicContact CD1-CD1 4.15Å; F382-I397 HydrophobicContact CD1-CG1 3.87Å; F382-I397 HydrophobicContact CE1-CG1 3.75Å; A386-I397 HydrophobicContact CB-CD1 4.36Å; W390-I397 HydrophobicContact CB-CB 4.4Å; W390-I397 HydrophobicContact CB-CD1 3.99Å; W390-I397 HydrophobicContact CD2-CB 4.37Å; W390-I397 HydrophobicContact CG-CB 3.89Å; W390-I397 HydrophobicContact CG-CD1 4.36Å; W390-I397 HydrophobicContact CG-CG1 4.37Å; W390-I397 HydrophobicContact CG-CG2 4.49Å; I397-L410 HydrophobicContact CG2-CB 4.38Å; I397-L410 PolarHBondContact O-N 3.15Å; I397-L410 VanDerWaalsContact O-N 3.1Å; I397-L412 HydrophobicContact CG1-CD2 4.27Å; I397-L412 HydrophobicContact CG2-CB 3.6Å; I397-L412 HydrophobicContact CG2-CD2 3.96Å; I397-L412 HydrophobicContact CG2-CG 4.44Å |
| 398 | R | 92.8 | Very high | 87.7 | Confident | 148 Ų | 148 | 66 Ų | 66 | 56% | 0.558 | 36% | 0.357 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -121.5 | 141.9 | 174.5 | -61.8 | -174.8 | 177.9 | -174.9 | -0.7 | 109.9 | E396 A407 Q408 | E396-R398 IonicContact OE2-NH2 2.87Å; R398-A407 HydrophobicContact CB-CB 3.91Å; R398-Q408 CarbonylContact C-O 3.54Å; R398-Q408 WeakPolarHBondContact CA-O 3.43Å; R398-Q408 WeakPolarHBondContact CB-O 3.36Å |
| 399 | G | 91.4 | Very high | 87.6 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.01 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.1 | 152.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | S381 A407 Q408 | S381-G399 CarbonylContact O-C 3.59Å; S381-G399 WeakPolarHBondContact O-CA 3.49Å; G399-A407 CarbonylContact O-C 3.55Å; G399-A407 WeakPolarHBondContact O-CA 3.35Å; G399-Q408 PolarHBondContact N-O 2.84Å; G399-Q408 PolarHBondContact O-N 3.35Å |
| 400 | K | 89.4 | Confident | 87.6 | Confident | 96 Ų | 96 | 63.1 Ų | 63.1 | 42% | 0.417 | 34% | 0.342 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.9 | 121 | 173.8 | -70.7 | -179 | 177 | 179.3 | 0 | 109.3 | I380 S381 G405 A407 | I380-K400 WeakPolarHBondContact CA-O 3.24Å; S381-K400 PolarHBondContact N-O 3.21Å; S381-K400 PolarHBondContact O-N 3.2Å; K400-G405 WeakPolarHBondContact CE-O 3.44Å; K400-A407 HydrophobicContact CG-CB 4.18Å |
| 401 | L | 90 | Very high | 87.5 | Confident | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 36% | 0.359 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -76.3 | 128.8 | 178.5 | -55 | -179.3 | 0 | 0 | 0 | 109.4 | L372 H373 M375 V377 I380 G403 I404 L410 | L372-L401 HydrophobicContact CB-CD1 4.3Å; L372-L401 HydrophobicContact CD1-CD2 4.13Å; H373-L401 HydrophobicContact CB-CD1 4.35Å; M375-L401 HydrophobicContact CE-CD1 4.29Å; M375-L401 HydrophobicContact CG-CD1 4.2Å; M375-L401 HydrophobicContact SD-CB 3.66Å; M375-L401 HydrophobicContact SD-CD1 3.77Å; M375-L401 HydrophobicContact SD-CG 4.37Å; V377-L401 HydrophobicContact CG1-CB 4.37Å; V377-L401 HydrophobicContact CG1-CD2 4.16Å; V377-L401 HydrophobicContact CG2-CB 3.95Å; V377-L401 HydrophobicContact CG2-CD1 4.08Å; V377-L401 HydrophobicContact CG2-CD2 4.09Å; V377-L401 HydrophobicContact CG2-CG 4.25Å; I380-L401 HydrophobicContact CD1-CD2 4.29Å; I380-L401 HydrophobicContact CG1-CD2 4.02Å; L401-G403 PolarHBondContact O-N 3.03Å; L401-I404 WeakPolarHBondContact O-CG1 3.35Å; L401-I404 PolarHBondContact O-N 3.32Å; L401-L410 HydrophobicContact CD2-CD2 3.68Å |
| 402 | N | 83.5 | Confident | 87.6 | Confident | 40 Ų | 40 | 66.5 Ų | 66.5 | 21% | 0.214 | 36% | 0.361 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 50.4 | 25.7 | -176.2 | -63.8 | -24.1 | 0 | 0 | 0 | 114.4 | E376 V377 V378 H379 I404 | E376-N402 PolarHBondContact O-ND2 2.89Å; V377-N402 WeakPolarHBondContact CA-OD1 3.38Å; V378-N402 VanDerWaalsContact CG2-OD1 3.29Å; V378-N402 WeakPolarHBondContact CG2-OD1 3.5Å; V378-N402 PolarHBondContact N-OD1 3.43Å; H379-N402 VanDerWaalsContact CE1-C 3.49Å; H379-N402 VanDerWaalsContact CE1-CA 3.5Å; H379-N402 WeakPolarHBondContact CE1-CA 3.3Å; H379-N402 PolarHBondContact N-OD1 2.96Å; H379-N402 WeakPolarHBondContact NE2-CA 3.41Å; H379-N402 PolarHBondContact NE2-O 3.09Å; H379-N402 WeakPolarHBondContact O-CA 3.37Å; H379-N402 PolarHBondContact O-N 3.07Å; N402-I404 HydrophobicContact CB-CG1 4.15Å; N402-I404 PolarHBondContact O-N 3.01Å; N402-I404 VanDerWaalsContact O-N 3.12Å |
| 403 | G | 78.3 | Confident | 87.8 | Confident | 38 Ų | 38 | 67.2 Ų | 67.2 | 39% | 0.392 | 36% | 0.36 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 68.9 | 2.3 | -177.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | H379 L401 | H379-G403 PolarHBondContact NE2-N 2.84Å; L401-G403 PolarHBondContact O-N 3.03Å |
| 404 | I | 75.5 | Confident | 88.1 | Confident | 107 Ų | 107 | 61.1 Ų | 61.1 | 55% | 0.549 | 34% | 0.336 | S | S | . | . | trans | -104.4 | 149.2 | -176 | 55.7 | 170.3 | 0 | 0 | 0 | 112 | L401 N402 | L401-I404 WeakPolarHBondContact O-CG1 3.35Å; L401-I404 PolarHBondContact O-N 3.32Å; N402-I404 HydrophobicContact CB-CG1 4.15Å; N402-I404 PolarHBondContact O-N 3.01Å; N402-I404 VanDerWaalsContact O-N 3.12Å | ||
| 405 | G | 79.2 | Confident | 88.2 | Confident | 58 Ų | 58 | 62.4 Ų | 62.4 | 60% | 0.598 | 34% | 0.339 | S | S | * | . | S | Bend | trans | 69.9 | -160.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 115.7 | K400 | K400-G405 WeakPolarHBondContact CE-O 3.44Š|
| 406 | F | 84.8 | Confident | 88.1 | Confident | 185 Ų | 185 | 65.7 Ų | 65.7 | 81% | 0.811 | 35% | 0.353 | S | S | * | . | S | Bend | trans | -82.7 | 151.9 | 178.4 | -59.6 | -76.7 | 0 | 0 | 0 | 111.3 | Q408 | F406-Q408 WeakPolarHBondContact O-CG 3.32Å; F406-Q408 PolarHBondContact O-N 2.97Å |
| 407 | A | 86 | Confident | 87.9 | Confident | 44 Ų | 44 | 62.4 Ų | 62.4 | 36% | 0.364 | 35% | 0.346 | S | S | . | . | P | Polyproline II helix | trans | -66 | 122.7 | 176 | 0 | 0 | 0 | 0 | 0 | 110.5 | R398 G399 K400 | R398-A407 HydrophobicContact CB-CB 3.91Å; G399-A407 CarbonylContact O-C 3.55Å; G399-A407 WeakPolarHBondContact O-CA 3.35Å; K400-A407 HydrophobicContact CG-CB 4.18Å |
| 408 | Q | 88.9 | Confident | 87.9 | Confident | 60 Ų | 60 | 65.1 Ų | 65.1 | 28% | 0.28 | 36% | 0.359 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.6 | 154.4 | -177.6 | -58.4 | -170.4 | 45.6 | 0 | 0 | 110.7 | H373 R398 G399 F406 | H373-Q408 PolarHBondContact CD2-OE1 3.22Å; H373-Q408 VanDerWaalsContact CD2-OE1 3.26Å; R398-Q408 CarbonylContact C-O 3.54Å; R398-Q408 WeakPolarHBondContact CA-O 3.43Å; R398-Q408 WeakPolarHBondContact CB-O 3.36Å; G399-Q408 PolarHBondContact N-O 2.84Å; G399-Q408 PolarHBondContact O-N 3.35Å; F406-Q408 WeakPolarHBondContact O-CG 3.32Å; F406-Q408 PolarHBondContact O-N 2.97Å |
| 409 | K | 91 | Very high | 87.8 | Confident | 113 Ų | 113 | 58.7 Ų | 58.7 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.5 | 135.2 | 175.7 | -175.7 | 175.4 | 174.6 | 175.4 | 0 | 110.2 | H373 E396 | H373-K409 PolarHBondContact NE2-O 3.43Å; E396-K409 HydrophobicContact CG-CD 4.47Å; E396-K409 WeakPolarHBondContact OE1-CE 3.39Å; E396-K409 IonicContact OE1-NZ 2.85Å; E396-K409 PolarHBondContact OE1-NZ 3.38Å |
| 410 | L | 92 | Very high | 87.9 | Confident | 15 Ų | 15 | 58.7 Ų | 58.7 | 8% | 0.079 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.4 | 145.9 | -177.8 | -60 | 167.9 | 0 | 0 | 0 | 110.7 | L372 I380 F382 I397 L401 L412 | L372-L410 HydrophobicContact CD1-CD2 4.3Å; I380-L410 HydrophobicContact CD1-CD1 3.96Å; I380-L410 HydrophobicContact CD1-CD2 4.19Å; I380-L410 HydrophobicContact CG2-CD1 3.59Å; F382-L410 HydrophobicContact CE1-CD1 3.66Å; F382-L410 HydrophobicContact CZ-CD1 3.76Å; I397-L410 HydrophobicContact CG2-CB 4.38Å; I397-L410 PolarHBondContact O-N 3.15Å; I397-L410 VanDerWaalsContact O-N 3.1Å; L401-L410 HydrophobicContact CD2-CD2 3.68Å; L410-L412 PolarHBondContact O-N 3.36Å |
| 411 | N | 91.8 | Very high | 88 | Confident | 83 Ų | 83 | 54.6 Ų | 54.6 | 44% | 0.444 | 32% | 0.318 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.8 | 93.7 | 166.2 | -169.3 | 4.9 | 0 | 0 | 0 | 108.2 | V422 R423 | N411-V422 WeakPolarHBondContact O-CA 3.32Å; N411-R423 HydrophobicContact CB-CB 4.37Å; N411-R423 PolarHBondContact O-N 2.89Å |
| 412 | L | 93.3 | Very high | 88.2 | Confident | 13 Ų | 13 | 54.5 Ų | 54.5 | 7% | 0.068 | 32% | 0.318 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.6 | 141 | -179.1 | -162.2 | 71.6 | 0 | 0 | 0 | 108.9 | F382 L387 W390 I397 L410 L420 V421 V422 L432 | F382-L412 HydrophobicContact CE1-CD2 4.28Å; F382-L412 HydrophobicContact CZ-CD1 4.38Å; F382-L412 HydrophobicContact CZ-CD2 4.34Å; L387-L412 HydrophobicContact CD1-CD2 3.92Å; W390-L412 HydrophobicContact CD2-CD2 4.32Å; W390-L412 HydrophobicContact CE3-CD2 3.91Å; W390-L412 HydrophobicContact CH2-CB 4.02Å; W390-L412 HydrophobicContact CH2-CD2 3.93Å; W390-L412 HydrophobicContact CH2-CG 3.86Å; W390-L412 HydrophobicContact CZ2-CB 3.94Å; W390-L412 HydrophobicContact CZ2-CD2 4.34Å; W390-L412 HydrophobicContact CZ2-CG 4.28Å; W390-L412 WeakPolarHBondContact CZ2-O 3.17Å; W390-L412 HydrophobicContact CZ3-CD2 3.71Å; W390-L412 HydrophobicContact CZ3-CG 4.11Å; I397-L412 HydrophobicContact CG1-CD2 4.27Å; I397-L412 HydrophobicContact CG2-CB 3.6Å; I397-L412 HydrophobicContact CG2-CD2 3.96Å; I397-L412 HydrophobicContact CG2-CG 4.44Å; L410-L412 PolarHBondContact O-N 3.36Å; L412-L420 HydrophobicContact CD2-CD2 3.98Å; L412-L420 HydrophobicContact CG-CD2 4.14Å; L412-V421 CarbonylContact C-O 3.42Å; L412-V421 WeakPolarHBondContact CA-O 3.5Å; L412-V422 HydrophobicContact CD1-CB 4.05Å; L412-L432 HydrophobicContact CD1-CD1 3.63Å |
| 413 | E | 91.9 | Very high | 88.6 | Confident | 55 Ų | 55 | 56.3 Ų | 56.3 | 26% | 0.257 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -139.7 | 163.5 | 175 | 68.7 | -178 | -176.2 | 0 | 0 | 110.9 | V421 R423 | E413-V421 HydrophobicContact CG-CB 3.83Å; E413-V421 HydrophobicContact CG-CG1 4.41Å; E413-V421 PolarHBondContact N-O 3.23Å; E413-V421 PolarHBondContact O-N 3.33Å; E413-R423 IonicContact OE1-CZ 2.79Å; E413-R423 IonicContact OE1-NE 3.74Å; E413-R423 PolarHBondContact OE1-NE 3.44Å; E413-R423 IonicContact OE1-NH2 3.97Å; E413-R423 PolarHBondContact OE1-NH2 2.96Å; E413-R423 IonicContact OE2-CZ 3.34Å; E413-R423 IonicContact OE2-NE 2.69Å; E413-R423 PolarHBondContact OE2-NE 3.16Å; E413-R423 IonicContact OE2-NH2 3Å; E413-R423 PolarHBondContact OE2-NH2 3.46Å |
| 414 | V | 91.8 | Very high | 89 | Confident | 27 Ų | 27 | 55.5 Ų | 55.5 | 16% | 0.164 | 31% | 0.308 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -109.4 | 122.1 | 166 | -179.9 | 0 | 0 | 0 | 0 | 106.2 | V338 Y351 W390 L391 H419 L420 | V338-V414 HydrophobicContact CG2-CG1 3.59Å; V338-V414 HydrophobicContact CG2-CG2 4.06Å; Y351-V414 HydrophobicContact CD1-CG1 4.06Å; Y351-V414 HydrophobicContact CD2-CB 4.31Å; Y351-V414 HydrophobicContact CD2-CG1 4.37Å; Y351-V414 HydrophobicContact CD2-CG2 4.05Å; Y351-V414 HydrophobicContact CE1-CB 4.48Å; Y351-V414 HydrophobicContact CE1-CG1 3.67Å; Y351-V414 HydrophobicContact CE2-CB 3.94Å; Y351-V414 HydrophobicContact CE2-CG1 4.03Å; Y351-V414 HydrophobicContact CE2-CG2 4.17Å; Y351-V414 HydrophobicContact CG-CG1 4.38Å; Y351-V414 HydrophobicContact CG-CG2 4.41Å; W390-V414 HydrophobicContact CH2-CG2 4.26Å; W390-V414 HydrophobicContact CZ3-CG2 4.1Å; L391-V414 HydrophobicContact CD2-CG2 3.91Å; V414-H419 WeakPolarHBondContact CA-O 3.5Å; V414-L420 HydrophobicContact CG2-CD2 4Å |
| 415 | D | 89.5 | Confident | 89.4 | Confident | 42 Ų | 42 | 57.2 Ų | 57.2 | 23% | 0.225 | 32% | 0.323 | C | S | . | . | trans | -78 | -177.4 | -178 | 74 | 9.4 | 0 | 0 | 0 | 112.7 | A417 Q418 H419 V421 | D415-A417 PolarHBondContact O-N 3.33Å; D415-A417 VanDerWaalsContact OD1-C 3.31Å; D415-A417 WeakPolarHBondContact OD1-CA 3.41Å; D415-A417 PolarHBondContact OD1-N 3.28Å; D415-Q418 PolarHBondContact O-N 3.33Å; D415-Q418 VanDerWaalsContact O-N 3.15Å; D415-Q418 PolarHBondContact OD1-N 3.06Å; D415-H419 PolarHBondContact N-O 3.42Å; D415-H419 PolarHBondContact OD1-N 3.25Å; D415-H419 IonicContact OD1-ND1 2.71Å; D415-H419 IonicContact OD2-ND1 2.74Å; D415-V421 HydrophobicContact CB-CG2 4.1Å | ||
| 416 | S | 85.2 | Confident | 89.6 | Confident | 127 Ų | 127 | 58.4 Ų | 58.4 | 89% | 0.888 | 32% | 0.322 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.7 | -24.5 | 178.6 | 49.4 | 0 | 0 | 0 | 0 | 114.2 | Q418 | S416-Q418 VanDerWaalsContact C-N 3.26Š|
| 417 | A | 87 | Confident | 89.5 | Confident | 52 Ų | 52 | 54.7 Ų | 54.7 | 43% | 0.43 | 31% | 0.31 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -88.9 | 5.2 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | D415 H419 | D415-A417 PolarHBondContact O-N 3.33Å; D415-A417 VanDerWaalsContact OD1-C 3.31Å; D415-A417 WeakPolarHBondContact OD1-CA 3.41Å; D415-A417 PolarHBondContact OD1-N 3.28Å; A417-H419 VanDerWaalsContact C-N 3.3Å; A417-H419 WeakPolarHBondContact CB-ND1 3.29Å |
| 418 | Q | 91.9 | Very high | 89.4 | Confident | 63 Ų | 63 | 57.1 Ų | 57.1 | 29% | 0.294 | 31% | 0.314 | S | S | . | . | S | Bend | trans | 69.7 | 23.6 | -179.6 | -47.8 | 176.2 | 9.7 | 0 | 0 | 113.2 | T337 V338 Y351 D415 S416 | T337-Q418 CarbonylContact C-O 3.42Å; T337-Q418 WeakPolarHBondContact CA-O 3.31Å; T337-Q418 HydrophobicContact CG2-CB 3.98Å; V338-Q418 HydrophobicContact CG2-CB 4.34Å; V338-Q418 VanDerWaalsContact CG2-O 3.27Å; V338-Q418 WeakPolarHBondContact CG2-O 3.49Å; V338-Q418 PolarHBondContact N-O 3.36Å; V338-Q418 WeakPolarHBondContact O-CB 3.46Å; V338-Q418 PolarHBondContact O-OE1 3.4Å; Y351-Q418 HydrophobicContact CE1-CG 4.39Å; D415-Q418 PolarHBondContact O-N 3.33Å; D415-Q418 VanDerWaalsContact O-N 3.15Å; D415-Q418 PolarHBondContact OD1-N 3.06Å; S416-Q418 VanDerWaalsContact C-N 3.26Å |
| 419 | H | 91.7 | Very high | 89.3 | Confident | 13 Ų | 13 | 55.9 Ų | 55.9 | 6% | 0.06 | 32% | 0.318 | C | S | . | . | B | Isolated β-bridge | trans | -88.5 | 145.7 | 173.2 | -57.4 | 106.4 | 0 | 0 | 0 | 111.2 | D332 A335 V414 D415 A417 T431 | D332-H419 PolarHBondContact O-NE2 3.06Å; A335-H419 HydrophobicContact CB-CB 4.15Å; A335-H419 WeakPolarHBondContact CB-CD2 3.31Å; V414-H419 WeakPolarHBondContact CA-O 3.5Å; D415-H419 PolarHBondContact N-O 3.42Å; D415-H419 PolarHBondContact OD1-N 3.25Å; D415-H419 IonicContact OD1-ND1 2.71Å; D415-H419 IonicContact OD2-ND1 2.74Å; A417-H419 VanDerWaalsContact C-N 3.3Å; A417-H419 WeakPolarHBondContact CB-ND1 3.29Å; H419-T431 HydrophobicContact CB-CG2 4.14Å |
| 420 | L | 92.4 | Very high | 89.2 | Confident | 0 Ų | 0 | 50.7 Ų | 50.7 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.9 | 122.8 | 171.3 | -84.9 | 165.2 | 0 | 0 | 0 | 110.4 | L336 V338 L364 L387 W390 L391 L412 V414 T431 L432 | L336-L420 HydrophobicContact CD2-CD1 3.71Å; L336-L420 HydrophobicContact CG-CD1 4.19Å; L336-L420 PolarHBondContact O-N 2.8Å; V338-L420 HydrophobicContact CG1-CD1 3.85Å; V338-L420 HydrophobicContact CG1-CG 4Å; L364-L420 HydrophobicContact CD1-CD1 4.48Å; L387-L420 HydrophobicContact CD2-CD1 4.47Å; W390-L420 HydrophobicContact CH2-CD2 4.4Å; W390-L420 HydrophobicContact CZ3-CD2 3.74Å; L391-L420 HydrophobicContact CD2-CD2 4.17Å; L412-L420 HydrophobicContact CD2-CD2 3.98Å; L412-L420 HydrophobicContact CG-CD2 4.14Å; V414-L420 HydrophobicContact CG2-CD2 4Å; L420-T431 CarbonylContact O-C 3.59Å; L420-T431 WeakPolarHBondContact O-CA 3.16Å; L420-L432 HydrophobicContact CB-CB 4.16Å; L420-L432 HydrophobicContact CB-CD1 4.35Å; L420-L432 PolarHBondContact O-N 3.47Å |
| 421 | V | 92.7 | Very high | 89.1 | Confident | 10 Ų | 10 | 50.7 Ų | 50.7 | 6% | 0.061 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.8 | 131.3 | -179 | -177.8 | 0 | 0 | 0 | 0 | 109.8 | L412 E413 D415 S430 T431 | L412-V421 CarbonylContact C-O 3.42Å; L412-V421 WeakPolarHBondContact CA-O 3.5Å; E413-V421 HydrophobicContact CG-CB 3.83Å; E413-V421 HydrophobicContact CG-CG1 4.41Å; E413-V421 PolarHBondContact N-O 3.23Å; E413-V421 PolarHBondContact O-N 3.33Å; D415-V421 HydrophobicContact CB-CG2 4.1Å; V421-S430 WeakPolarHBondContact CA-O 3.48Å; V421-T431 HydrophobicContact CG2-CG2 3.77Å |
| 422 | V | 93.1 | Very high | 89.1 | Confident | 0 Ų | 0 | 46.8 Ų | 46.8 | 0% | 0 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.4 | 137.6 | 169.1 | 63.6 | 0 | 0 | 0 | 0 | 109.7 | L366 L370 L372 I380 N411 L412 G429 S430 L432 | L366-V422 HydrophobicContact CD1-CG1 4.25Å; L366-V422 HydrophobicContact CD2-CG1 3.77Å; L366-V422 HydrophobicContact CG-CG1 3.8Å; L370-V422 HydrophobicContact CD1-CG1 4.22Å; L370-V422 WeakPolarHBondContact CD1-O 3.46Å; L372-V422 HydrophobicContact CD1-CG2 4.1Å; I380-V422 HydrophobicContact CD1-CB 4.39Å; I380-V422 HydrophobicContact CD1-CG1 4.22Å; I380-V422 HydrophobicContact CD1-CG2 4Å; N411-V422 WeakPolarHBondContact O-CA 3.32Å; L412-V422 HydrophobicContact CD1-CB 4.05Å; V422-G429 CarbonylContact O-C 3.56Å; V422-G429 WeakPolarHBondContact O-CA 3.45Å; V422-S430 PolarHBondContact N-O 3.3Å; V422-S430 PolarHBondContact O-N 2.94Å; V422-L432 HydrophobicContact CB-CD2 4.46Å; V422-L432 HydrophobicContact CG1-CD2 3.8Å; V422-L432 HydrophobicContact CG1-CG 4.39Å |
| 423 | R | 92.5 | Very high | 88.7 | Confident | 78 Ų | 78 | 46.3 Ų | 46.3 | 29% | 0.294 | 27% | 0.273 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.7 | 145.8 | 177.9 | -65.9 | -173.1 | -178.9 | -135.2 | 10.6 | 112.4 | N411 E413 L427 Q428 | N411-R423 HydrophobicContact CB-CB 4.37Å; N411-R423 PolarHBondContact O-N 2.89Å; E413-R423 IonicContact OE1-CZ 2.79Å; E413-R423 IonicContact OE1-NE 3.74Å; E413-R423 PolarHBondContact OE1-NE 3.44Å; E413-R423 IonicContact OE1-NH2 3.97Å; E413-R423 PolarHBondContact OE1-NH2 2.96Å; E413-R423 IonicContact OE2-CZ 3.34Å; E413-R423 IonicContact OE2-NE 2.69Å; E413-R423 PolarHBondContact OE2-NE 3.16Å; E413-R423 IonicContact OE2-NH2 3Å; E413-R423 PolarHBondContact OE2-NH2 3.46Å; R423-L427 PolarHBondContact NH1-O 2.97Å; R423-Q428 VanDerWaalsContact CA-O 3.3Å; R423-Q428 WeakPolarHBondContact CA-O 3.28Å |
| 424 | D | 88 | Confident | 88.3 | Confident | 20 Ų | 20 | 45.9 Ų | 45.9 | 11% | 0.107 | 27% | 0.272 | C | S | . | . | trans | -81 | -177.5 | 167.2 | 82.2 | -16.7 | 0 | 0 | 0 | 112.3 | L372 S426 L427 Q428 | L372-D424 HydrophobicContact CD2-CB 3.83Å; D424-S426 PolarHBondContact O-N 3.22Å; D424-S426 VanDerWaalsContact OD1-C 3.24Å; D424-S426 VanDerWaalsContact OD1-CA 3.3Å; D424-S426 WeakPolarHBondContact OD1-CA 3.37Å; D424-S426 WeakPolarHBondContact OD1-CB 3.11Å; D424-S426 PolarHBondContact OD1-N 3.06Å; D424-S426 PolarHBondContact OD2-OG 3.4Å; D424-L427 PolarHBondContact O-N 3.38Å; D424-L427 PolarHBondContact OD1-N 3.46Å; D424-Q428 PolarHBondContact N-O 2.94Å; D424-Q428 VanDerWaalsContact N-O 3.08Å; D424-Q428 PolarHBondContact OD1-N 3.46Å | ||
| 425 | V | 82.1 | Confident | 87.4 | Confident | 143 Ų | 143 | 48.2 Ų | 48.2 | 87% | 0.867 | 29% | 0.288 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.6 | -20.2 | 176.5 | -66.5 | 0 | 0 | 0 | 0 | 113.5 | L427 | V425-L427 VanDerWaalsContact C-N 3.33Š|
| 426 | S | 83.7 | Confident | 86.2 | Confident | 84 Ų | 84 | 49.6 Ų | 49.6 | 59% | 0.587 | 31% | 0.312 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | 7.6 | 177.1 | -46.2 | 0 | 0 | 0 | 0 | 112.7 | D424 Q428 | D424-S426 PolarHBondContact O-N 3.22Å; D424-S426 VanDerWaalsContact OD1-C 3.24Å; D424-S426 VanDerWaalsContact OD1-CA 3.3Å; D424-S426 WeakPolarHBondContact OD1-CA 3.37Å; D424-S426 WeakPolarHBondContact OD1-CB 3.11Å; D424-S426 PolarHBondContact OD1-N 3.06Å; D424-S426 PolarHBondContact OD2-OG 3.4Å; S426-Q428 PolarHBondContact O-N 3.17Å |
| 427 | L | 82.7 | Confident | 84.8 | Confident | 106 Ų | 106 | 45.5 Ų | 45.5 | 56% | 0.555 | 28% | 0.283 | S | S | * | . | trans | 64.2 | 16.1 | -175.7 | -57.4 | 172.1 | 0 | 0 | 0 | 115.1 | R423 D424 V425 G429 | R423-L427 PolarHBondContact NH1-O 2.97Å; D424-L427 PolarHBondContact O-N 3.38Å; D424-L427 PolarHBondContact OD1-N 3.46Å; V425-L427 VanDerWaalsContact C-N 3.33Å; L427-G429 PolarHBondContact O-N 3.07Å | ||
| 428 | Q | 83.8 | Confident | 83.1 | Confident | 96 Ų | 96 | 47.4 Ų | 47.4 | 45% | 0.449 | 29% | 0.294 | S | S | . | . | trans | -72.1 | 119.9 | 169.6 | -63.5 | -164.1 | 9.8 | 0 | 0 | 109.5 | L370 R423 D424 S426 | L370-Q428 WeakPolarHBondContact CD1-O 3.41Å; L370-Q428 HydrophobicContact CD2-CB 4.08Å; R423-Q428 VanDerWaalsContact CA-O 3.3Å; R423-Q428 WeakPolarHBondContact CA-O 3.28Å; D424-Q428 PolarHBondContact N-O 2.94Å; D424-Q428 VanDerWaalsContact N-O 3.08Å; D424-Q428 PolarHBondContact OD1-N 3.46Å; S426-Q428 PolarHBondContact O-N 3.17Å | ||
| 429 | G | 87 | Confident | 81.2 | Confident | 34 Ų | 34 | 48.5 Ų | 48.5 | 35% | 0.351 | 31% | 0.313 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -88.9 | 149.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113.3 | V422 L427 | V422-G429 CarbonylContact O-C 3.56Å; V422-G429 WeakPolarHBondContact O-CA 3.45Å; L427-G429 PolarHBondContact O-N 3.07Å |
| 430 | S | 89.3 | Confident | 79.4 | Confident | 3 Ų | 3 | 55.2 Ų | 55.2 | 2% | 0.021 | 35% | 0.345 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.7 | 123.6 | 166.9 | -174.6 | 0 | 0 | 0 | 0 | 108.8 | Q367 K368 L370 V421 V422 | Q367-S430 PolarHBondContact N-OG 2.97Å; K368-S430 PolarHBondContact N-OG 2.65Å; K368-S430 VanDerWaalsContact O-CB 3.28Å; K368-S430 WeakPolarHBondContact O-CB 3.4Å; K368-S430 PolarHBondContact O-OG 3.16Å; L370-S430 VanDerWaalsContact CD1-CB 3.48Å; V421-S430 WeakPolarHBondContact CA-O 3.48Å; V422-S430 PolarHBondContact N-O 3.3Å; V422-S430 PolarHBondContact O-N 2.94Å |
| 431 | T | 89.9 | Confident | 78 | Confident | 16 Ų | 16 | 58.1 Ų | 58.1 | 10% | 0.098 | 38% | 0.375 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.5 | 140.1 | 173.3 | 33.2 | 0 | 0 | 0 | 0 | 110.3 | S331 A335 Q367 H419 L420 V421 | S331-T431 PolarHBondContact OG-OG1 2.85Å; S331-T431 VanDerWaalsContact OG-OG1 3.06Å; A335-T431 HydrophobicContact CB-CG2 4.23Å; Q367-T431 WeakPolarHBondContact CB-O 3.43Å; Q367-T431 WeakPolarHBondContact CG-O 3.46Å; Q367-T431 PolarHBondContact N-O 2.89Å; Q367-T431 VanDerWaalsContact OE1-CB 3.27Å; Q367-T431 PolarHBondContact OE1-OG1 3.41Å; H419-T431 HydrophobicContact CB-CG2 4.14Å; L420-T431 CarbonylContact O-C 3.59Å; L420-T431 WeakPolarHBondContact O-CA 3.16Å; V421-T431 HydrophobicContact CG2-CG2 3.77Å |
| 432 | L | 90.9 | Very high | 76.8 | Confident | 0 Ų | 0 | 61.8 Ų | 61.8 | 0% | 0 | 39% | 0.394 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 133.8 | -178.5 | -65.8 | -174.7 | 0 | 0 | 0 | 110.6 | L336 L364 L365 L366 F382 L412 L420 V422 | L336-L432 WeakPolarHBondContact CB-O 3.49Å; L336-L432 PolarHBondContact N-O 3.43Å; L364-L432 HydrophobicContact CB-CB 4.1Å; L364-L432 HydrophobicContact CB-CD1 4.26Å; L364-L432 HydrophobicContact CB-CD2 4.42Å; L364-L432 HydrophobicContact CD1-CB 4.21Å; L364-L432 HydrophobicContact CD1-CD1 3.85Å; L365-L432 CarbonylContact O-C 3.52Å; L365-L432 WeakPolarHBondContact O-CA 3.36Å; L366-L432 HydrophobicContact CD1-CD2 3.62Å; L366-L432 HydrophobicContact CG-CD2 3.87Å; F382-L432 HydrophobicContact CE2-CD1 4.04Å; F382-L432 HydrophobicContact CZ-CD1 4.26Å; L412-L432 HydrophobicContact CD1-CD1 3.63Å; L420-L432 HydrophobicContact CB-CB 4.16Å; L420-L432 HydrophobicContact CB-CD1 4.35Å; L420-L432 PolarHBondContact O-N 3.47Å; V422-L432 HydrophobicContact CB-CD2 4.46Å; V422-L432 HydrophobicContact CG1-CD2 3.8Å; V422-L432 HydrophobicContact CG1-CG 4.39Å |
| 433 | A | 86.3 | Confident | 76.1 | Confident | 3 Ų | 3 | 63.5 Ų | 63.5 | 3% | 0.025 | 40% | 0.404 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 157.6 | 178.3 | 0 | 0 | 0 | 0 | 0 | 111.8 | T334 L364 L365 Q367 | T334-A433 WeakPolarHBondContact O-CB 3.3Å; L364-A433 CarbonylContact C-O 3.56Å; L364-A433 WeakPolarHBondContact CA-O 3.35Å; L365-A433 PolarHBondContact N-O 2.89Å; L365-A433 PolarHBondContact O-N 3.42Å; Q367-A433 HydrophobicContact CG-CB 3.96Å |
| 434 | L | 83.6 | Confident | 75.6 | Confident | 47 Ų | 47 | 62.5 Ų | 62.5 | 25% | 0.246 | 42% | 0.419 | C | S | . | . | trans | -72.6 | 152.3 | 172.5 | -71.4 | 165 | 0 | 0 | 0 | 111 | L336 V357 L364 S437 | L336-L434 HydrophobicContact CD1-CD1 4.12Å; L336-L434 HydrophobicContact CD1-CG 4.24Å; V357-L434 HydrophobicContact CG2-CD1 3.87Å; V357-L434 HydrophobicContact CG2-CD2 4.31Å; L364-L434 HydrophobicContact CD2-CD2 3.82Å; L364-L434 HydrophobicContact CD2-CG 4.47Å; L434-S437 WeakPolarHBondContact O-CB 3.37Å; L434-S437 PolarHBondContact O-N 2.92Å; L434-S437 PolarHBondContact O-OG 2.78Å | ||
| 435 | P | 71.6 | Confident | 75.6 | Confident | 75 Ų | 75 | 65.5 Ų | 65.5 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.8 | 139.1 | 174.1 | -16.8 | 32.6 | 0 | 0 | 0 | 110.2 | T363 | T363-P435 HydrophobicContact CG2-CG 4.49Å; T363-P435 WeakPolarHBondContact O-CD 3.49Å; T363-P435 WeakPolarHBondContact O-CG 3.32Å |
| 436 | G | 66 | Low | 75.9 | Confident | 71 Ų | 71 | 58.8 Ų | 58.8 | 73% | 0.732 | 39% | 0.392 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 96.9 | -8.3 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.5 | S438 | G436-S438 PolarHBondContact O-N 3.24Å; G436-S438 VanDerWaalsContact O-N 3.11Å |
| 437 | S | 55.9 | Low | 75.8 | Confident | 41 Ų | 41 | 60.2 Ų | 60.2 | 29% | 0.287 | 39% | 0.387 | S | S | . | . | trans | -77.2 | 19 | 171.9 | -35.4 | 0 | 0 | 0 | 0 | 113.4 | L434 A439 | L434-S437 WeakPolarHBondContact O-CB 3.37Å; L434-S437 PolarHBondContact O-N 2.92Å; L434-S437 PolarHBondContact O-OG 2.78Å; S437-A439 PolarHBondContact O-N 2.88Å | ||
| 438 | S | 50.4 | Low | 76.1 | Confident | 93 Ų | 93 | 60.5 Ų | 60.5 | 65% | 0.65 | 39% | 0.386 | S | S | * | . | trans | -67.4 | 124.1 | -161.6 | 55.9 | 0 | 0 | 0 | 0 | 113.8 | G436 | G436-S438 PolarHBondContact O-N 3.24Å; G436-S438 VanDerWaalsContact O-N 3.11Å | ||
| 439 | A | 51.2 | Low | 76.4 | Confident | 85 Ų | 85 | 58.9 Ų | 58.9 | 70% | 0.702 | 38% | 0.378 | S | S | * | . | trans | 19.8 | 95.9 | 144.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | S437 | S437-A439 PolarHBondContact O-N 2.88Š| ||
| 440 | E | 53.9 | Low | 76.5 | Confident | 155 Ų | 155 | 60.1 Ų | 60.1 | 72% | 0.724 | 38% | 0.376 | S | S | * | . | trans | -57.4 | 143.7 | 150.2 | -71.1 | -179.3 | 157.1 | 0 | 0 | 108 | ||||
| 441 | G | 63.3 | Low | 76.3 | Confident | 61 Ų | 61 | 65 Ų | 65 | 63% | 0.629 | 40% | 0.399 | S | S | * | . | trans | -59.8 | -176.1 | 171.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | P443 | G441-P443 WeakPolarHBondContact O-CD 3.44Å; G441-P443 VanDerWaalsContact O-N 3.1Å | ||
| 442 | L | 68.1 | Low | 76.3 | Confident | 87 Ų | 87 | 69.3 Ų | 69.3 | 46% | 0.455 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -47.6 | 122.3 | 177.4 | -152.7 | 113.5 | 0 | 0 | 0 | 110 | G444 I446 K447 L450 | L442-G444 PolarHBondContact O-N 3.34Å; L442-I446 HydrophobicContact CD2-CB 3.89Å; L442-I446 HydrophobicContact CD2-CG2 3.62Å; L442-I446 HydrophobicContact CG-CB 4.35Å; L442-I446 HydrophobicContact CG-CG2 4.09Å; L442-K447 HydrophobicContact CD2-CB 3.77Å; L442-K447 HydrophobicContact CD2-CG 4.48Å; L442-L450 HydrophobicContact CD2-CD1 4.01Å |
| 443 | P | 78.9 | Confident | 76.3 | Confident | 35 Ų | 35 | 70.2 Ų | 70.2 | 23% | 0.227 | 42% | 0.423 | C | S | . | . | trans | -54.1 | 138.4 | -175.8 | -26.9 | 33.2 | 0 | 0 | 0 | 110.7 | L326 G441 E445 I446 K447 | L326-P443 HydrophobicContact CB-CG 4.35Å; L326-P443 HydrophobicContact CD1-CB 3.9Å; L326-P443 HydrophobicContact CD1-CG 3.9Å; G441-P443 WeakPolarHBondContact O-CD 3.44Å; G441-P443 VanDerWaalsContact O-N 3.1Å; P443-E445 PolarHBondContact O-N 3.37Å; P443-E445 VanDerWaalsContact O-N 3.11Å; P443-I446 HydrophobicContact CB-CG1 4.08Å; P443-I446 HydrophobicContact CG-CG1 4.2Å; P443-I446 PolarHBondContact O-N 3.42Å; P443-K447 PolarHBondContact O-N 3Å | ||
| 444 | G | 80.8 | Confident | 76.2 | Confident | 58 Ų | 58 | 73.5 Ų | 73.5 | 60% | 0.598 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -53.1 | -36.9 | -175.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | L442 K447 Q448 | L442-G444 PolarHBondContact O-N 3.34Å; G444-K447 PolarHBondContact O-N 3.25Å; G444-Q448 WeakPolarHBondContact O-CB 3.45Å; G444-Q448 PolarHBondContact O-N 2.88Å |
| 445 | E | 87.5 | Confident | 76.2 | Confident | 82 Ų | 82 | 73.7 Ų | 73.7 | 38% | 0.383 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57 | -50.4 | 172.5 | -175.9 | -170.8 | 155.2 | 0 | 0 | 112.2 | R322 P443 K447 Q448 Q449 | R322-E445 IonicContact CZ-OE1 3.15Å; R322-E445 IonicContact NE-OE1 2.71Å; R322-E445 PolarHBondContact NE-OE1 3.47Å; R322-E445 VanDerWaalsContact NE-OE1 3.15Å; R322-E445 IonicContact NE-OE2 3.42Å; R322-E445 IonicContact NH2-OE1 3.7Å; R322-E445 IonicContact NH2-OE2 3.73Å; R322-E445 PolarHBondContact NH2-OE2 3.48Å; P443-E445 PolarHBondContact O-N 3.37Å; P443-E445 VanDerWaalsContact O-N 3.11Å; E445-K447 VanDerWaalsContact C-N 3.33Å; E445-K447 PolarHBondContact O-N 3.21Å; E445-Q448 PolarHBondContact O-N 3.25Å; E445-Q449 WeakPolarHBondContact O-CG 3.49Å; E445-Q449 PolarHBondContact O-N 3.18Å |
| 446 | I | 88.7 | Confident | 77 | Confident | 3 Ų | 3 | 72 Ų | 72 | 2% | 0.015 | 43% | 0.43 | C | S | . | . | H | α-helix | trans | -65.4 | -40.4 | 180 | -57.8 | -60.6 | 0 | 0 | 0 | 110.2 | I319 R322 H323 L326 L442 P443 Q448 Q449 L450 | I319-I446 HydrophobicContact CG2-CD1 4.47Å; I319-I446 HydrophobicContact CG2-CG2 3.84Å; R322-I446 HydrophobicContact CB-CD1 4Å; R322-I446 HydrophobicContact CG-CD1 3.74Å; H323-I446 HydrophobicContact CB-CD1 4.03Å; H323-I446 HydrophobicContact CB-CG1 4.17Å; H323-I446 HydrophobicContact CB-CG2 4.26Å; L326-I446 HydrophobicContact CD1-CD1 4.03Å; L326-I446 HydrophobicContact CD1-CG1 3.9Å; L442-I446 HydrophobicContact CD2-CB 3.89Å; L442-I446 HydrophobicContact CD2-CG2 3.62Å; L442-I446 HydrophobicContact CG-CB 4.35Å; L442-I446 HydrophobicContact CG-CG2 4.09Å; P443-I446 HydrophobicContact CB-CG1 4.08Å; P443-I446 HydrophobicContact CG-CG1 4.2Å; P443-I446 PolarHBondContact O-N 3.42Å; I446-Q448 PolarHBondContact O-N 2.81Å; I446-Q449 PolarHBondContact O-N 3.05Å; I446-L450 HydrophobicContact CG2-CD1 4.07Å; I446-L450 HydrophobicContact CG2-CG 4.4Å; I446-L450 WeakPolarHBondContact O-CG 3.49Å; I446-L450 PolarHBondContact O-N 3.22Å |
| 447 | K | 82.6 | Confident | 78 | Confident | 114 Ų | 114 | 73.5 Ų | 73.5 | 50% | 0.496 | 41% | 0.413 | S | S | . | . | H | α-helix | trans | -61.7 | -46.8 | 179.7 | -172.8 | 178.8 | 173.4 | -174.2 | 0 | 110.6 | L442 P443 G444 E445 L450 E451 | L442-K447 HydrophobicContact CD2-CB 3.77Å; L442-K447 HydrophobicContact CD2-CG 4.48Å; P443-K447 PolarHBondContact O-N 3Å; G444-K447 PolarHBondContact O-N 3.25Å; E445-K447 VanDerWaalsContact C-N 3.33Å; E445-K447 PolarHBondContact O-N 3.21Å; K447-L450 PolarHBondContact O-N 3.48Å; K447-E451 WeakPolarHBondContact CE-OE1 3.36Å; K447-E451 WeakPolarHBondContact O-CG 3.47Å; K447-E451 PolarHBondContact O-N 3.32Å |
| 448 | Q | 87.9 | Confident | 79.3 | Confident | 112 Ų | 112 | 74 Ų | 74 | 52% | 0.523 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -60.8 | -46.3 | 176.4 | -175.7 | -176.6 | -13.4 | 0 | 0 | 111.7 | G444 E445 I446 L450 E451 E452 | G444-Q448 WeakPolarHBondContact O-CB 3.45Å; G444-Q448 PolarHBondContact O-N 2.88Å; E445-Q448 PolarHBondContact O-N 3.25Å; I446-Q448 PolarHBondContact O-N 2.81Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; Q448-L450 PolarHBondContact O-N 3.45Å; Q448-E451 PolarHBondContact O-N 2.97Å; Q448-E452 PolarHBondContact NE2-OE1 3.34Å; Q448-E452 WeakPolarHBondContact O-CG 3.39Å; Q448-E452 PolarHBondContact O-N 3.09Å |
| 449 | Q | 91 | Very high | 81 | Confident | 61 Ų | 61 | 75 Ų | 75 | 29% | 0.285 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -61.6 | -38.1 | 178.6 | -73 | 174.9 | -7.5 | 0 | 0 | 112.9 | I319 E445 I446 L453 | I319-Q449 HydrophobicContact CD1-CB 3.84Å; I319-Q449 HydrophobicContact CG1-CB 3.91Å; E445-Q449 WeakPolarHBondContact O-CG 3.49Å; E445-Q449 PolarHBondContact O-N 3.18Å; I446-Q449 PolarHBondContact O-N 3.05Å; Q449-L453 WeakPolarHBondContact O-CB 3.49Å; Q449-L453 PolarHBondContact O-N 2.96Å |
| 450 | L | 88 | Confident | 82.8 | Confident | 61 Ų | 61 | 72.4 Ų | 72.4 | 32% | 0.319 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -68.2 | -42.4 | 175.5 | -73.4 | 173.6 | 0 | 0 | 0 | 112 | L316 I319 L442 I446 K447 Q448 L453 E454 | L316-L450 HydrophobicContact CD1-CD2 4.12Å; I319-L450 HydrophobicContact CD1-CD2 4.25Å; I319-L450 HydrophobicContact CG2-CD2 3.85Å; I319-L450 HydrophobicContact CG2-CG 3.99Å; L442-L450 HydrophobicContact CD2-CD1 4.01Å; I446-L450 HydrophobicContact CG2-CD1 4.07Å; I446-L450 HydrophobicContact CG2-CG 4.4Å; I446-L450 WeakPolarHBondContact O-CG 3.49Å; I446-L450 PolarHBondContact O-N 3.22Å; K447-L450 PolarHBondContact O-N 3.48Å; Q448-L450 VanDerWaalsContact C-N 3.32Å; Q448-L450 PolarHBondContact O-N 3.45Å; L450-L453 PolarHBondContact O-N 2.91Å; L450-E454 VanDerWaalsContact O-CB 3.32Å; L450-E454 WeakPolarHBondContact O-CB 3.35Å; L450-E454 PolarHBondContact O-N 3.05Å |
| 451 | E | 85.5 | Confident | 84.1 | Confident | 104 Ų | 104 | 67.3 Ų | 67.3 | 49% | 0.486 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -63.6 | -40.5 | 177.2 | -73.9 | 173.8 | -179.6 | 0 | 0 | 111.8 | K447 Q448 E454 S455 | K447-E451 WeakPolarHBondContact CE-OE1 3.36Å; K447-E451 WeakPolarHBondContact O-CG 3.47Å; K447-E451 PolarHBondContact O-N 3.32Å; Q448-E451 PolarHBondContact O-N 2.97Å; E451-E454 PolarHBondContact O-N 2.91Å; E451-S455 WeakPolarHBondContact O-CB 3.47Å; E451-S455 PolarHBondContact O-N 3.36Å |
| 452 | E | 89.7 | Confident | 84.9 | Confident | 107 Ų | 107 | 66.7 Ų | 66.7 | 50% | 0.5 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -62.6 | -46.3 | 173.5 | -74 | 174.2 | -169.3 | 0 | 0 | 111.5 | Q448 E454 S455 D456 | Q448-E452 PolarHBondContact NE2-OE1 3.34Å; Q448-E452 WeakPolarHBondContact O-CG 3.39Å; Q448-E452 PolarHBondContact O-N 3.09Å; E452-E454 PolarHBondContact O-N 3.41Å; E452-S455 WeakPolarHBondContact O-CB 3.49Å; E452-S455 PolarHBondContact O-N 3.42Å; E452-D456 PolarHBondContact O-N 3.45Å |
| 453 | L | 91 | Very high | 85.7 | Confident | 20 Ų | 20 | 66 Ų | 66 | 11% | 0.105 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.8 | -40.6 | 177.6 | -176.6 | 64.4 | 0 | 0 | 0 | 112.2 | M312 R315 L316 I319 Q449 L450 S455 D456 W457 | M312-L453 HydrophobicContact CB-CD1 3.89Å; M312-L453 HydrophobicContact CG-CD1 3.91Å; R315-L453 HydrophobicContact CB-CD1 4.05Å; L316-L453 HydrophobicContact CB-CD2 3.84Å; L316-L453 HydrophobicContact CD1-CD2 4.08Å; I319-L453 HydrophobicContact CD1-CB 4.38Å; I319-L453 HydrophobicContact CD1-CD2 3.95Å; Q449-L453 WeakPolarHBondContact O-CB 3.49Å; Q449-L453 PolarHBondContact O-N 2.96Å; L450-L453 PolarHBondContact O-N 2.91Å; L453-S455 VanDerWaalsContact C-N 3.33Å; L453-D456 PolarHBondContact O-N 3.1Å; L453-W457 WeakPolarHBondContact O-CB 3.42Å; L453-W457 PolarHBondContact O-N 2.76Å |
| 454 | E | 83.8 | Confident | 85.9 | Confident | 71 Ų | 71 | 67 Ų | 67 | 33% | 0.332 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -65.1 | -37.3 | 176.4 | -167.4 | -171.6 | 169.1 | 0 | 0 | 111.5 | L450 E451 E452 W457 R458 | L450-E454 VanDerWaalsContact O-CB 3.32Å; L450-E454 WeakPolarHBondContact O-CB 3.35Å; L450-E454 PolarHBondContact O-N 3.05Å; E451-E454 PolarHBondContact O-N 2.91Å; E452-E454 PolarHBondContact O-N 3.41Å; E454-W457 PolarHBondContact O-N 2.79Å; E454-R458 VanDerWaalsContact CD-NH1 3.28Å; E454-R458 WeakPolarHBondContact O-CG 3.43Å; E454-R458 PolarHBondContact O-N 3.16Å; E454-R458 IonicContact OE1-CZ 2.84Å; E454-R458 IonicContact OE1-NH1 3.92Å; E454-R458 PolarHBondContact OE1-NH1 2.87Å; E454-R458 IonicContact OE1-NH2 3.9Å; E454-R458 PolarHBondContact OE1-NH2 3.49Å; E454-R458 IonicContact OE2-NH1 3.08Å |
| 455 | S | 84.5 | Confident | 85.7 | Confident | 51 Ų | 51 | 66 Ų | 66 | 36% | 0.357 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -62.3 | -46.2 | 173.2 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | E451 E452 L453 R458 K459 | E451-S455 WeakPolarHBondContact O-CB 3.47Å; E451-S455 PolarHBondContact O-N 3.36Å; E452-S455 WeakPolarHBondContact O-CB 3.49Å; E452-S455 PolarHBondContact O-N 3.42Å; L453-S455 VanDerWaalsContact C-N 3.33Å; S455-R458 PolarHBondContact O-N 3.15Å; S455-K459 WeakPolarHBondContact O-CG 3.15Å; S455-K459 PolarHBondContact O-N 3.25Å |
| 456 | D | 88.8 | Confident | 85.2 | Confident | 41 Ų | 41 | 68.5 Ų | 68.5 | 22% | 0.219 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -62.5 | -44.3 | 176.8 | -77.2 | -8.6 | 0 | 0 | 0 | 111.2 | R315 E452 L453 R458 K459 Q460 | R315-D456 IonicContact NH1-OD2 3.73Å; R315-D456 PolarHBondContact NH1-OD2 3.3Å; E452-D456 PolarHBondContact O-N 3.45Å; L453-D456 PolarHBondContact O-N 3.1Å; D456-R458 PolarHBondContact O-N 3.32Å; D456-K459 WeakPolarHBondContact O-CB 3.32Å; D456-K459 PolarHBondContact O-N 3.06Å; D456-K459 IonicContact OD1-NZ 3.51Å; D456-K459 PolarHBondContact OD1-NZ 2.91Å; D456-Q460 WeakPolarHBondContact O-CG 3.39Å; D456-Q460 PolarHBondContact O-N 3.28Å |
| 457 | W | 87.7 | Confident | 84.6 | Confident | 101 Ų | 101 | 70.1 Ų | 70.1 | 38% | 0.383 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -58.2 | -47 | 175.4 | 174.3 | 76.9 | 0 | 0 | 0 | 112.4 | M312 L453 E454 K459 Q460 H461 | M312-W457 VanDerWaalsContact SD-CA 3.51Å; M312-W457 HydrophobicContact SD-CB 3.78Å; M312-W457 HydrophobicContact SD-CG 4.5Å; L453-W457 WeakPolarHBondContact O-CB 3.42Å; L453-W457 PolarHBondContact O-N 2.76Å; E454-W457 PolarHBondContact O-N 2.79Å; W457-K459 VanDerWaalsContact C-N 3.33Å; W457-K459 PolarHBondContact O-N 3.48Å; W457-Q460 PolarHBondContact O-N 3.19Å; W457-H461 WeakPolarHBondContact O-CB 3.47Å; W457-H461 PolarHBondContact O-N 3.26Å |
| 458 | R | 81.4 | Confident | 83.9 | Confident | 52 Ų | 52 | 70 Ų | 70 | 20% | 0.196 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -59.8 | -41.6 | 176.3 | -76.8 | -173.7 | 178.2 | 107.7 | 2.2 | 112.3 | E454 S455 D456 H461 A462 | E454-R458 VanDerWaalsContact CD-NH1 3.28Å; E454-R458 WeakPolarHBondContact O-CG 3.43Å; E454-R458 PolarHBondContact O-N 3.16Å; E454-R458 IonicContact OE1-CZ 2.84Å; E454-R458 IonicContact OE1-NH1 3.92Å; E454-R458 PolarHBondContact OE1-NH1 2.87Å; E454-R458 IonicContact OE1-NH2 3.9Å; E454-R458 PolarHBondContact OE1-NH2 3.49Å; E454-R458 IonicContact OE2-NH1 3.08Å; S455-R458 PolarHBondContact O-N 3.15Å; D456-R458 PolarHBondContact O-N 3.32Å; R458-H461 PolarHBondContact O-N 3.02Å; R458-A462 WeakPolarHBondContact O-CB 3.37Å; R458-A462 PolarHBondContact O-N 2.95Å |
| 459 | K | 86.4 | Confident | 82.4 | Confident | 114 Ų | 114 | 73 Ų | 73 | 50% | 0.496 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -62.2 | -47.3 | 176.6 | -69.7 | 169.3 | -165.6 | 159.9 | 0 | 111.3 | S455 D456 W457 H461 A462 L463 | S455-K459 WeakPolarHBondContact O-CG 3.15Å; S455-K459 PolarHBondContact O-N 3.25Å; D456-K459 WeakPolarHBondContact O-CB 3.32Å; D456-K459 PolarHBondContact O-N 3.06Å; D456-K459 IonicContact OD1-NZ 3.51Å; D456-K459 PolarHBondContact OD1-NZ 2.91Å; W457-K459 VanDerWaalsContact C-N 3.33Å; W457-K459 PolarHBondContact O-N 3.48Å; K459-H461 VanDerWaalsContact C-N 3.34Å; K459-H461 PolarHBondContact O-N 2.95Å; K459-A462 PolarHBondContact O-N 3.11Å; K459-L463 WeakPolarHBondContact O-CG 3.46Å; K459-L463 PolarHBondContact O-N 3.11Å |
| 460 | Q | 89 | Confident | 80.2 | Confident | 30 Ų | 30 | 78.1 Ų | 78.1 | 14% | 0.14 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -63.7 | -40.7 | 179.1 | -68.1 | -54.5 | -33.8 | 0 | 0 | 111.9 | W307 M312 D456 W457 L463 F464 | W307-Q460 HydrophobicContact CB-CB 4.25Å; W307-Q460 WeakPolarHBondContact O-CG 3.2Å; M312-Q460 HydrophobicContact CE-CB 4.26Å; M312-Q460 HydrophobicContact CE-CG 4.23Å; D456-Q460 WeakPolarHBondContact O-CG 3.39Å; D456-Q460 PolarHBondContact O-N 3.28Å; W457-Q460 PolarHBondContact O-N 3.19Å; Q460-L463 PolarHBondContact O-N 3.35Å; Q460-F464 PolarHBondContact O-N 2.91Å |
| 461 | H | 82.3 | Confident | 77.6 | Confident | 49 Ų | 49 | 78.3 Ų | 78.3 | 23% | 0.227 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.9 | -42.1 | 176 | -161.1 | 100.8 | 0 | 0 | 0 | 112.1 | W457 R458 K459 L463 F464 S465 L557 | W457-H461 WeakPolarHBondContact O-CB 3.47Å; W457-H461 PolarHBondContact O-N 3.26Å; R458-H461 PolarHBondContact O-N 3.02Å; K459-H461 VanDerWaalsContact C-N 3.34Å; K459-H461 PolarHBondContact O-N 2.95Å; H461-L463 VanDerWaalsContact C-N 3.35Å; H461-L463 PolarHBondContact O-N 3.41Å; H461-F464 WeakPolarHBondContact O-CB 3.49Å; H461-F464 PolarHBondContact O-N 3.37Å; H461-S465 PolarHBondContact O-N 3.41Å; H461-S465 PolarHBondContact O-OG 3.32Å; H461-S465 VanDerWaalsContact O-OG 3.09Å; H461-L557 HydrophobicContact CB-CD2 3.68Å; H461-L557 WeakPolarHBondContact CD2-CD2 3.33Å |
| 462 | A | 78.6 | Confident | 75.1 | Confident | 47 Ų | 47 | 79.4 Ų | 79.4 | 39% | 0.388 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -61.7 | -42.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | R458 K459 S465 E466 | R458-A462 WeakPolarHBondContact O-CB 3.37Å; R458-A462 PolarHBondContact O-N 2.95Å; K459-A462 PolarHBondContact O-N 3.11Å; A462-S465 PolarHBondContact O-N 3.11Å; A462-E466 WeakPolarHBondContact O-CB 3.39Å; A462-E466 PolarHBondContact O-N 2.95Å |
| 463 | L | 84.7 | Confident | 72.3 | Confident | 72 Ų | 72 | 77 Ų | 77 | 38% | 0.377 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -60.3 | -44.7 | 174.1 | -73.8 | 169.5 | 0 | 0 | 0 | 111.7 | K459 Q460 H461 E466 Q467 | K459-L463 WeakPolarHBondContact O-CG 3.46Å; K459-L463 PolarHBondContact O-N 3.11Å; Q460-L463 PolarHBondContact O-N 3.35Å; H461-L463 VanDerWaalsContact C-N 3.35Å; H461-L463 PolarHBondContact O-N 3.41Å; L463-E466 PolarHBondContact O-N 3.33Å; L463-Q467 WeakPolarHBondContact O-CB 3.49Å; L463-Q467 WeakPolarHBondContact O-CG 3.48Å; L463-Q467 PolarHBondContact O-N 2.83Å |
| 464 | F | 84.6 | Confident | 69.8 | Low | 57 Ų | 57 | 81.7 Ų | 81.7 | 25% | 0.25 | 43% | 0.426 | C | S | . | . | H | α-helix | trans | -59.4 | -50.2 | 175.2 | 175.9 | -117.9 | 0 | 0 | 0 | 111.9 | W307 Q460 H461 E466 Q467 Q468 | W307-F464 HydrophobicContact CD2-CB 4.28Å; W307-F464 AromaticContact CD2-CD2 3.94Å; W307-F464 HydrophobicContact CD2-CD2 3.94Å; W307-F464 HydrophobicContact CD2-CG 4.43Å; W307-F464 AromaticContact CE2-CD2 3.47Å; W307-F464 VanDerWaalsContact CE2-CD2 3.47Å; W307-F464 HydrophobicContact CE3-CD2 4.14Å; W307-F464 HydrophobicContact CE3-CE2 4.44Å; W307-F464 HydrophobicContact CG-CB 4.31Å; W307-F464 AromaticContact CH2-CD2 3.47Å; W307-F464 HydrophobicContact CH2-CD2 3.47Å; W307-F464 VanDerWaalsContact CH2-CD2 3.47Å; W307-F464 AromaticContact CH2-CE2 3.5Å; W307-F464 HydrophobicContact CH2-CE2 3.5Å; W307-F464 AromaticContact CZ2-CD2 3.28Å; W307-F464 HydrophobicContact CZ2-CD2 3.28Å; W307-F464 AromaticContact CZ2-CE2 3.81Å; W307-F464 HydrophobicContact CZ2-CE2 3.81Å; W307-F464 HydrophobicContact CZ2-CG 4.35Å; W307-F464 AromaticContact CZ3-CD2 3.91Å; W307-F464 HydrophobicContact CZ3-CD2 3.91Å; W307-F464 AromaticContact CZ3-CE2 3.86Å; W307-F464 HydrophobicContact CZ3-CE2 3.86Å; Q460-F464 PolarHBondContact O-N 2.91Å; H461-F464 WeakPolarHBondContact O-CB 3.49Å; H461-F464 PolarHBondContact O-N 3.37Å; F464-E466 VanDerWaalsContact C-N 3.32Å; F464-E466 PolarHBondContact O-N 3.46Å; F464-Q467 PolarHBondContact O-N 2.94Å; F464-Q468 HydrophobicContact CD2-CG 4.23Å; F464-Q468 HydrophobicContact CE1-CG 4.38Å; F464-Q468 HydrophobicContact CE2-CG 3.94Å; F464-Q468 VanDerWaalsContact CZ-CD 3.41Å; F464-Q468 HydrophobicContact CZ-CG 4.05Å; F464-Q468 WeakPolarHBondContact O-CG 3.48Å; F464-Q468 PolarHBondContact O-N 3.39Å |
| 465 | S | 75.1 | Confident | 68.2 | Low | 36 Ų | 36 | 83.9 Ų | 83.9 | 25% | 0.252 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -61.7 | -38 | 179.5 | -58.3 | 0 | 0 | 0 | 0 | 112.5 | H461 A462 Q468 | H461-S465 PolarHBondContact O-N 3.41Å; H461-S465 PolarHBondContact O-OG 3.32Å; H461-S465 VanDerWaalsContact O-OG 3.09Å; A462-S465 PolarHBondContact O-N 3.11Å; S465-Q468 PolarHBondContact O-N 3.38Å |
| 466 | E | 77.4 | Confident | 67.3 | Low | 135 Ų | 135 | 86.8 Ų | 86.8 | 63% | 0.631 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.1 | -42.7 | 175.3 | -173.1 | 177.9 | -174.4 | 0 | 0 | 111.7 | A462 L463 F464 Q468 K469 | A462-E466 WeakPolarHBondContact O-CB 3.39Å; A462-E466 PolarHBondContact O-N 2.95Å; L463-E466 PolarHBondContact O-N 3.33Å; F464-E466 VanDerWaalsContact C-N 3.32Å; F464-E466 PolarHBondContact O-N 3.46Å; E466-Q468 VanDerWaalsContact C-N 3.27Å; E466-Q468 PolarHBondContact O-N 2.99Å; E466-K469 PolarHBondContact O-N 2.93Å |
| 467 | Q | 77.6 | Confident | 66.9 | Low | 38 Ų | 38 | 85.4 Ų | 85.4 | 18% | 0.178 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.3 | -21.1 | 179.6 | -69.1 | 167 | 7.7 | 0 | 0 | 113.2 | A273 V275 L463 F464 | A273-Q467 HydrophobicContact CB-CG 3.93Å; V275-Q467 HydrophobicContact CG1-CB 4.17Å; L463-Q467 WeakPolarHBondContact O-CB 3.49Å; L463-Q467 WeakPolarHBondContact O-CG 3.48Å; L463-Q467 PolarHBondContact O-N 2.83Å; F464-Q467 PolarHBondContact O-N 2.94Å |
| 468 | Q | 67.7 | Low | 66.7 | Low | 110 Ų | 110 | 82.8 Ų | 82.8 | 51% | 0.514 | 44% | 0.442 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -13.3 | 174.8 | -79.6 | -160.8 | -27.7 | 0 | 0 | 114.8 | F464 S465 E466 Y470 | F464-Q468 HydrophobicContact CD2-CG 4.23Å; F464-Q468 HydrophobicContact CE1-CG 4.38Å; F464-Q468 HydrophobicContact CE2-CG 3.94Å; F464-Q468 VanDerWaalsContact CZ-CD 3.41Å; F464-Q468 HydrophobicContact CZ-CG 4.05Å; F464-Q468 WeakPolarHBondContact O-CG 3.48Å; F464-Q468 PolarHBondContact O-N 3.39Å; S465-Q468 PolarHBondContact O-N 3.38Å; E466-Q468 VanDerWaalsContact C-N 3.27Å; E466-Q468 PolarHBondContact O-N 2.99Å; Q468-Y470 PolarHBondContact O-N 3.47Å |
| 469 | K | 55.6 | Low | 67 | Low | 175 Ų | 175 | 80.3 Ų | 80.3 | 76% | 0.761 | 43% | 0.432 | S | S | * | . | trans | -65.2 | 76.6 | -178.6 | -75.9 | -179.5 | -178.2 | 174.4 | 0 | 111.9 | E466 | E466-K469 PolarHBondContact O-N 2.93Š| ||
| 470 | Y | 44.2 | Very low | 66.9 | Low | 169 Ų | 169 | 77.3 Ų | 77.3 | 66% | 0.663 | 42% | 0.422 | S | S | * | . | trans | -68.5 | 141.1 | 150.5 | -95.8 | -93.1 | 0 | 0 | 0 | 108.2 | Q468 | Q468-Y470 PolarHBondContact O-N 3.47Š| ||
| 471 | S | 33.5 | Very low | 66.6 | Low | 65 Ų | 65 | 78.3 Ų | 78.3 | 46% | 0.455 | 43% | 0.43 | S | S | . | . | trans | -32.9 | 138.1 | -176.6 | -164.1 | 0 | 0 | 0 | 0 | 114.6 | G473 | S471-G473 PolarHBondContact O-N 3.24Š| ||
| 472 | P | 33.6 | Very low | 66.8 | Low | 128 Ų | 128 | 76 Ų | 76 | 83% | 0.831 | 42% | 0.419 | S | S | * | . | trans | -75.9 | 48.5 | -169.6 | 34.4 | -37.5 | 0 | 0 | 0 | 113.9 | T474 | P472-T474 VanDerWaalsContact C-N 3.33Å; P472-T474 PolarHBondContact O-N 2.97Å | ||
| 473 | G | 31.5 | Very low | 67.2 | Low | 56 Ų | 56 | 73.9 Ų | 73.9 | 58% | 0.577 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -81.6 | 82.1 | 163.9 | 0 | 0 | 0 | 0 | 0 | 109.2 | S471 T475 | S471-G473 PolarHBondContact O-N 3.24Å; G473-T475 VanDerWaalsContact C-N 3.34Å; G473-T475 PolarHBondContact O-N 3.33Å |
| 474 | T | 38.4 | Very low | 67 | Low | 119 Ų | 119 | 75.5 Ų | 75.5 | 73% | 0.73 | 41% | 0.414 | S | S | * | . | trans | 24.6 | 66.1 | 163.7 | -35.8 | 0 | 0 | 0 | 0 | 113.7 | P472 M476 | P472-T474 VanDerWaalsContact C-N 3.33Å; P472-T474 PolarHBondContact O-N 2.97Å; T474-M476 VanDerWaalsContact C-N 3.26Å; T474-M476 PolarHBondContact O-N 3.35Å | ||
| 475 | T | 50 | Low | 66.8 | Low | 116 Ų | 116 | 76.7 Ų | 76.7 | 71% | 0.712 | 42% | 0.422 | S | S | * | . | trans | -66.2 | 94.4 | 176.4 | -40.7 | 0 | 0 | 0 | 0 | 106.9 | G473 L477 | G473-T475 VanDerWaalsContact C-N 3.34Å; G473-T475 PolarHBondContact O-N 3.33Å; T475-L477 PolarHBondContact O-N 2.91Å | ||
| 476 | M | 65 | Low | 67.1 | Low | 113 Ų | 113 | 75.2 Ų | 75.2 | 56% | 0.557 | 41% | 0.411 | S | S | * | . | P | Polyproline II helix | trans | -61.6 | 122.1 | 178.1 | -67.7 | -170 | 170.2 | 0 | 0 | 108.1 | T474 | T474-M476 VanDerWaalsContact C-N 3.26Å; T474-M476 PolarHBondContact O-N 3.35Å |
| 477 | L | 79.7 | Confident | 67.2 | Low | 11 Ų | 11 | 72.7 Ų | 72.7 | 6% | 0.058 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -69.4 | 131.8 | -179.4 | -169.1 | 73.5 | 0 | 0 | 0 | 109.4 | T475 T481 L482 M485 V541 T546 V549 M550 | T475-L477 PolarHBondContact O-N 2.91Å; L477-T481 WeakPolarHBondContact CD1-OG1 3.48Å; L477-T481 WeakPolarHBondContact CG-OG1 3.34Å; L477-L482 HydrophobicContact CD2-CB 3.98Å; L477-L482 HydrophobicContact CD2-CD1 4.09Å; L477-M485 HydrophobicContact CD1-CE 3.85Å; L477-M485 HydrophobicContact CD1-SD 4.05Å; L477-V541 HydrophobicContact CB-CB 4.26Å; L477-V541 HydrophobicContact CB-CG2 4.28Å; L477-V541 HydrophobicContact CD2-CG2 4.2Å; L477-V541 HydrophobicContact CG-CG2 4.21Å; L477-V541 WeakPolarHBondContact O-CB 3.45Å; L477-V541 WeakPolarHBondContact O-CG2 3.48Å; L477-V541 PolarHBondContact O-N 3.32Å; L477-T546 HydrophobicContact CB-CG2 3.9Å; L477-V549 HydrophobicContact CD2-CB 4.37Å; L477-V549 HydrophobicContact CD2-CG1 4.04Å; L477-M550 HydrophobicContact CD1-CE 4.09Å |
| 478 | T | 84.4 | Confident | 67.3 | Low | 46 Ų | 46 | 71.9 Ų | 71.9 | 28% | 0.282 | 41% | 0.41 | S | S | . | . | B | Isolated β-bridge | trans | -86.2 | 154 | 171.8 | 64.8 | 0 | 0 | 0 | 0 | 110.1 | D480 T481 L482 A539 | T478-D480 PolarHBondContact O-N 3.14Å; T478-T481 PolarHBondContact N-OG1 2.9Å; T478-T481 VanDerWaalsContact N-OG1 3.13Å; T478-T481 PolarHBondContact O-N 3.42Å; T478-T481 VanDerWaalsContact O-N 3.15Å; T478-T481 PolarHBondContact O-OG1 3.41Å; T478-T481 WeakPolarHBondContact OG1-CG2 3.27Å; T478-T481 PolarHBondContact OG1-N 2.88Å; T478-T481 PolarHBondContact OG1-OG1 3.11Å; T478-L482 PolarHBondContact O-N 2.94Å; T478-A539 CarbonylContact C-O 3.6Å; T478-A539 WeakPolarHBondContact CA-O 3.4Å |
| 479 | L | 87.3 | Confident | 67.9 | Low | 0 Ų | 0 | 70.6 Ų | 70.6 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -62.8 | -33.1 | 179.8 | -176.4 | 55.4 | 0 | 0 | 0 | 112 | L482 N483 L536 A539 V541 L618 N619 L622 | L479-L482 HydrophobicContact CD1-CD2 4.21Å; L479-L482 WeakPolarHBondContact O-CB 3.47Å; L479-L482 PolarHBondContact O-N 3.32Å; L479-N483 WeakPolarHBondContact O-CB 3.5Å; L479-N483 VanDerWaalsContact O-CG 3.29Å; L479-N483 PolarHBondContact O-N 3.47Å; L479-L536 HydrophobicContact CD2-CD2 3.98Å; L479-A539 HydrophobicContact CB-CB 4.06Å; L479-A539 HydrophobicContact CD2-CB 4.05Å; L479-A539 PolarHBondContact N-O 3.47Å; L479-V541 HydrophobicContact CB-CG2 4.43Å; L479-L618 HydrophobicContact CD1-CD2 3.83Å; L479-L618 HydrophobicContact CD1-CG 4.26Å; L479-L618 HydrophobicContact CD2-CD2 4.45Å; L479-L618 HydrophobicContact CD2-CG 4.25Å; L479-N619 WeakPolarHBondContact CD2-OD1 3.33Å; L479-N619 WeakPolarHBondContact CG-OD1 3.27Å; L479-L622 HydrophobicContact CD2-CD1 3.5Å; L479-L622 VanDerWaalsContact CD2-CD1 3.5Å |
| 480 | D | 84.6 | Confident | 69.2 | Low | 52 Ų | 52 | 64.4 Ų | 64.4 | 28% | 0.278 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58 | -50.4 | 171 | -172.9 | 65.8 | 0 | 0 | 0 | 112.1 | T478 L482 N483 V484 K537 | T478-D480 PolarHBondContact O-N 3.14Å; D480-L482 VanDerWaalsContact C-N 3.28Å; D480-L482 PolarHBondContact O-N 3.14Å; D480-N483 PolarHBondContact O-N 3.19Å; D480-V484 WeakPolarHBondContact O-CG2 3.2Å; D480-V484 PolarHBondContact O-N 3.35Å; D480-K537 HydrophobicContact CB-CB 4.42Å; D480-K537 HydrophobicContact CB-CG 4.16Å |
| 481 | T | 83.2 | Confident | 70.9 | Confident | 51 Ų | 51 | 62 Ų | 62 | 31% | 0.313 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -61.3 | -38.3 | 177.8 | 53.7 | 0 | 0 | 0 | 0 | 112 | L477 T478 M485 | L477-T481 WeakPolarHBondContact CD1-OG1 3.48Å; L477-T481 WeakPolarHBondContact CG-OG1 3.34Å; T478-T481 PolarHBondContact N-OG1 2.9Å; T478-T481 VanDerWaalsContact N-OG1 3.13Å; T478-T481 PolarHBondContact O-N 3.42Å; T478-T481 VanDerWaalsContact O-N 3.15Å; T478-T481 PolarHBondContact O-OG1 3.41Å; T478-T481 WeakPolarHBondContact OG1-CG2 3.27Å; T478-T481 PolarHBondContact OG1-N 2.88Å; T478-T481 PolarHBondContact OG1-OG1 3.11Å; T481-M485 WeakPolarHBondContact O-CB 3.5Å; T481-M485 WeakPolarHBondContact O-CG 3.28Å; T481-M485 PolarHBondContact O-N 2.91Å |
| 482 | L | 86.7 | Confident | 73.2 | Confident | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -64.6 | -46.7 | 175 | 179.9 | 60.6 | 0 | 0 | 0 | 112.2 | L477 T478 L479 D480 V484 M485 L486 V541 L545 V549 A615 | L477-L482 HydrophobicContact CD2-CB 3.98Å; L477-L482 HydrophobicContact CD2-CD1 4.09Å; T478-L482 PolarHBondContact O-N 2.94Å; L479-L482 HydrophobicContact CD1-CD2 4.21Å; L479-L482 WeakPolarHBondContact O-CB 3.47Å; L479-L482 PolarHBondContact O-N 3.32Å; D480-L482 VanDerWaalsContact C-N 3.28Å; D480-L482 PolarHBondContact O-N 3.14Å; L482-V484 VanDerWaalsContact C-N 3.34Å; L482-V484 PolarHBondContact O-N 2.93Å; L482-M485 PolarHBondContact O-N 2.97Å; L482-L486 HydrophobicContact CD1-CD1 3.58Å; L482-L486 HydrophobicContact CD1-CG 4.08Å; L482-L486 HydrophobicContact CG-CD1 3.98Å; L482-L486 WeakPolarHBondContact O-CB 3.4Å; L482-L486 WeakPolarHBondContact O-CG 3.36Å; L482-L486 PolarHBondContact O-N 2.84Å; L482-V541 HydrophobicContact CB-CG2 3.98Å; L482-V541 HydrophobicContact CD2-CG1 4Å; L482-V541 HydrophobicContact CD2-CG2 3.82Å; L482-L545 HydrophobicContact CD2-CD2 3.87Å; L482-L545 HydrophobicContact CD2-CG 4.31Å; L482-V549 HydrophobicContact CD1-CB 4.39Å; L482-V549 HydrophobicContact CD1-CG1 4.07Å; L482-V549 HydrophobicContact CD1-CG2 3.47Å; L482-V549 VanDerWaalsContact CD1-CG2 3.47Å; L482-A615 HydrophobicContact CD2-CB 3.87Å; L482-A615 HydrophobicContact CG-CB 4.1Å |
| 483 | N | 86.9 | Confident | 75.7 | Confident | 3 Ų | 3 | 56.4 Ų | 56.4 | 2% | 0.016 | 35% | 0.352 | C | S | . | . | H | α-helix | trans | -60.1 | -45.1 | 178.5 | -75.1 | -14.3 | 0 | 0 | 0 | 110.7 | L479 D480 L486 A487 V488 N619 | L479-N483 WeakPolarHBondContact O-CB 3.5Å; L479-N483 VanDerWaalsContact O-CG 3.29Å; L479-N483 PolarHBondContact O-N 3.47Å; D480-N483 PolarHBondContact O-N 3.19Å; N483-L486 CarbonylContact O-C 3.5Å; N483-L486 PolarHBondContact O-N 3.45Å; N483-A487 CarbonylContact O-C 3.5Å; N483-A487 WeakPolarHBondContact O-CA 3.18Å; N483-A487 PolarHBondContact O-N 3.38Å; N483-V488 HydrophobicContact CB-CB 4.21Å; N483-V488 PolarHBondContact O-N 2.74Å; N483-N619 PolarHBondContact ND2-ND2 3.13Å; N483-N619 PolarHBondContact ND2-OD1 3.06Å; N483-N619 PolarHBondContact OD1-ND2 2.78Å |
| 484 | V | 80.9 | Confident | 78.4 | Confident | 106 Ų | 106 | 53.9 Ų | 53.9 | 64% | 0.642 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -62.1 | -45.7 | 175.8 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | D480 L482 L486 A487 | D480-V484 WeakPolarHBondContact O-CG2 3.2Å; D480-V484 PolarHBondContact O-N 3.35Å; L482-V484 VanDerWaalsContact C-N 3.34Å; L482-V484 PolarHBondContact O-N 2.93Å; V484-L486 PolarHBondContact O-N 2.82Å; V484-A487 PolarHBondContact O-N 3.4Å |
| 485 | M | 78.9 | Confident | 80.8 | Confident | 82 Ų | 82 | 52 Ų | 52 | 40% | 0.404 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -59.6 | -34.5 | 177.9 | -75.6 | 170 | -178.1 | 0 | 0 | 112.7 | L477 T481 L482 V549 Q553 | L477-M485 HydrophobicContact CD1-CE 3.85Å; L477-M485 HydrophobicContact CD1-SD 4.05Å; T481-M485 WeakPolarHBondContact O-CB 3.5Å; T481-M485 WeakPolarHBondContact O-CG 3.28Å; T481-M485 PolarHBondContact O-N 2.91Å; L482-M485 PolarHBondContact O-N 2.97Å; M485-V549 HydrophobicContact SD-CG1 4.31Å; M485-Q553 PolarHBondContact SD-NE2 3.16Å |
| 486 | L | 82.8 | Confident | 82.5 | Confident | 5 Ų | 5 | 52.7 Ų | 52.7 | 3% | 0.026 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -95.8 | -10 | -177.5 | -64.3 | 176.5 | 0 | 0 | 0 | 113.8 | L482 N483 V484 V488 R608 L611 I612 A615 | L482-L486 HydrophobicContact CD1-CD1 3.58Å; L482-L486 HydrophobicContact CD1-CG 4.08Å; L482-L486 HydrophobicContact CG-CD1 3.98Å; L482-L486 WeakPolarHBondContact O-CB 3.4Å; L482-L486 WeakPolarHBondContact O-CG 3.36Å; L482-L486 PolarHBondContact O-N 2.84Å; N483-L486 CarbonylContact O-C 3.5Å; N483-L486 PolarHBondContact O-N 3.45Å; V484-L486 PolarHBondContact O-N 2.82Å; L486-V488 HydrophobicContact CB-CG2 3.87Å; L486-R608 HydrophobicContact CD2-CG 4.29Å; L486-R608 PolarHBondContact O-NH2 2.93Å; L486-L611 HydrophobicContact CD1-CB 3.84Å; L486-L611 HydrophobicContact CD2-CB 3.88Å; L486-L611 HydrophobicContact CD2-CD1 4.31Å; L486-I612 HydrophobicContact CB-CG1 3.99Å; L486-A615 HydrophobicContact CD1-CB 3.88Å |
| 487 | A | 79.5 | Confident | 83.7 | Confident | 82 Ų | 82 | 47.9 Ų | 47.9 | 68% | 0.678 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 59.6 | 44.3 | -169.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | N483 V484 | N483-A487 CarbonylContact O-C 3.5Å; N483-A487 WeakPolarHBondContact O-CA 3.18Å; N483-A487 PolarHBondContact O-N 3.38Å; V484-A487 PolarHBondContact O-N 3.4Å |
| 488 | V | 79 | Confident | 84.1 | Confident | 20 Ų | 20 | 47.6 Ų | 47.6 | 12% | 0.121 | 28% | 0.278 | C | S | . | . | trans | -89.9 | 129.9 | 173 | 179.2 | 0 | 0 | 0 | 0 | 108.6 | N483 L486 I612 | N483-V488 HydrophobicContact CB-CB 4.21Å; N483-V488 PolarHBondContact O-N 2.74Å; L486-V488 HydrophobicContact CB-CG2 3.87Å; V488-I612 HydrophobicContact CG2-CB 4.44Å; V488-I612 HydrophobicContact CG2-CG1 4.22Å; V488-I612 HydrophobicContact CG2-CG2 4.06Å | ||
| 489 | S | 81 | Confident | 84.3 | Confident | 83 Ų | 83 | 50.2 Ų | 50.2 | 58% | 0.58 | 29% | 0.289 | S | S | * | . | trans | -96.3 | 124.2 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 110.3 | E491 | S489-E491 PolarHBondContact OG-N 3.42Š| ||
| 490 | E | 81.6 | Confident | 84.3 | Confident | 45 Ų | 45 | 51.9 Ų | 51.9 | 21% | 0.21 | 30% | 0.303 | C | S | . | . | trans | -84.5 | -16.3 | 172.4 | 66.6 | -79.4 | 171.7 | 0 | 0 | 114.1 | G492 L493 I494 L536 | E490-G492 VanDerWaalsContact C-N 3.34Å; E490-G492 PolarHBondContact O-N 2.85Å; E490-L493 PolarHBondContact O-N 2.77Å; E490-L493 VanDerWaalsContact O-N 3.09Å; E490-I494 HydrophobicContact CG-CD1 4.16Å; E490-I494 WeakPolarHBondContact O-CG1 3.45Å; E490-I494 PolarHBondContact O-N 2.93Å; E490-I494 VanDerWaalsContact O-N 3.08Å; E490-L536 HydrophobicContact CB-CD1 3.81Å; E490-L536 HydrophobicContact CG-CD1 4.13Å | ||
| 491 | E | 81.4 | Confident | 84.4 | Confident | 118 Ų | 118 | 49.4 Ų | 49.4 | 55% | 0.551 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -61.8 | -39.7 | -171.4 | -173.1 | 164.1 | -139.6 | 0 | 0 | 112.8 | S489 E495 R533 | S489-E491 PolarHBondContact OG-N 3.42Å; E491-E495 PolarHBondContact O-N 3.2Å; E491-R533 IonicContact OE1-NH2 3.94Å; E491-R533 PolarHBondContact OE1-NH2 2.77Å |
| 492 | G | 81.9 | Confident | 84.6 | Confident | 50 Ų | 50 | 49.3 Ų | 49.3 | 52% | 0.515 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -64.3 | -38.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | E490 E496 | E490-G492 VanDerWaalsContact C-N 3.34Å; E490-G492 PolarHBondContact O-N 2.85Å; G492-E496 WeakPolarHBondContact O-CB 3.18Å; G492-E496 PolarHBondContact O-N 3.33Å; G492-E496 VanDerWaalsContact O-N 3.1Å |
| 493 | L | 85.4 | Confident | 84.6 | Confident | 27 Ų | 27 | 52.7 Ų | 52.7 | 14% | 0.141 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -68.6 | -41.1 | -179.9 | -63.4 | 173.4 | 0 | 0 | 0 | 111.5 | E490 M497 T616 N619 Q620 L623 | E490-L493 PolarHBondContact O-N 2.77Å; E490-L493 VanDerWaalsContact O-N 3.09Å; L493-M497 WeakPolarHBondContact O-CB 3.22Å; L493-M497 PolarHBondContact O-N 2.84Å; L493-T616 HydrophobicContact CD1-CG2 4.43Å; L493-N619 HydrophobicContact CD1-CB 3.72Å; L493-Q620 HydrophobicContact CD2-CG 4.09Å; L493-L623 HydrophobicContact CB-CD1 3.62Å |
| 494 | I | 88.7 | Confident | 84.7 | Confident | 2 Ų | 2 | 53 Ų | 53 | 1% | 0.01 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 178.2 | -64.8 | 173.4 | 0 | 0 | 0 | 110.7 | E490 M497 I498 R529 L532 R533 L536 L623 | E490-I494 HydrophobicContact CG-CD1 4.16Å; E490-I494 WeakPolarHBondContact O-CG1 3.45Å; E490-I494 PolarHBondContact O-N 2.93Å; E490-I494 VanDerWaalsContact O-N 3.08Å; I494-M497 PolarHBondContact O-N 3.49Å; I494-I498 HydrophobicContact CG2-CD1 4Å; I494-I498 WeakPolarHBondContact O-CG1 3.34Å; I494-I498 PolarHBondContact O-N 3.45Å; I494-R529 HydrophobicContact CG2-CG 3.97Å; I494-L532 HydrophobicContact CG2-CB 4.34Å; I494-L532 HydrophobicContact CG2-CD1 4.03Å; I494-R533 HydrophobicContact CD1-CB 4.47Å; I494-R533 HydrophobicContact CD1-CG 3.49Å; I494-R533 VanDerWaalsContact CD1-CG 3.49Å; I494-L536 HydrophobicContact CD1-CD1 4.1Å; I494-L536 HydrophobicContact CG1-CD1 4.18Å; I494-L623 HydrophobicContact CG1-CD1 4.45Å; I494-L623 HydrophobicContact CG1-CD2 4.22Å |
| 495 | E | 87.7 | Confident | 85 | Confident | 79 Ų | 79 | 52.9 Ų | 52.9 | 37% | 0.369 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | -179.1 | -164.4 | 65.6 | -168.6 | 0 | 0 | 111.5 | E491 M497 I498 I499 R529 | E491-E495 PolarHBondContact O-N 3.2Å; E495-M497 VanDerWaalsContact C-N 3.32Å; E495-M497 PolarHBondContact O-N 3.25Å; E495-I498 PolarHBondContact O-N 3.21Å; E495-I499 HydrophobicContact CG-CD1 4.23Å; E495-I499 VanDerWaalsContact O-CG1 3.29Å; E495-I499 WeakPolarHBondContact O-CG1 3.27Å; E495-I499 PolarHBondContact O-N 3.43Å; E495-R529 IonicContact OE1-NH2 3.29Å; E495-R529 PolarHBondContact OE1-NH2 2.95Å; E495-R529 IonicContact OE2-CZ 3.86Å; E495-R529 IonicContact OE2-NE 3.58Å; E495-R529 PolarHBondContact OE2-NE 3.23Å; E495-R529 IonicContact OE2-NH2 2.74Å; E495-R529 PolarHBondContact OE2-NH2 3.46Å |
| 496 | E | 86.5 | Confident | 85.3 | Confident | 132 Ų | 132 | 54.4 Ų | 54.4 | 62% | 0.617 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -59.1 | -43.5 | 173.5 | -172.7 | 174.4 | -171.6 | 0 | 0 | 111.7 | G492 I499 A500 | G492-E496 WeakPolarHBondContact O-CB 3.18Å; G492-E496 PolarHBondContact O-N 3.33Å; G492-E496 VanDerWaalsContact O-N 3.1Å; E496-I499 PolarHBondContact O-N 2.97Å; E496-A500 WeakPolarHBondContact O-CB 3.18Å; E496-A500 PolarHBondContact O-N 3.29Å |
| 497 | M | 88.9 | Confident | 85.5 | Confident | 12 Ų | 12 | 54.3 Ų | 54.3 | 6% | 0.059 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.1 | -42.4 | 178.3 | -164.1 | -148.2 | 81.9 | 0 | 0 | 112.5 | L493 I494 E495 A500 L501 L532 L623 R627 | L493-M497 WeakPolarHBondContact O-CB 3.22Å; L493-M497 PolarHBondContact O-N 2.84Å; I494-M497 PolarHBondContact O-N 3.49Å; E495-M497 VanDerWaalsContact C-N 3.32Å; E495-M497 PolarHBondContact O-N 3.25Å; M497-A500 PolarHBondContact O-N 3.01Å; M497-L501 WeakPolarHBondContact O-CB 3.46Å; M497-L501 PolarHBondContact O-N 3.14Å; M497-L532 HydrophobicContact CE-CD1 3.17Å; M497-L532 HydrophobicContact CE-CD2 3.66Å; M497-L532 HydrophobicContact CE-CG 4.02Å; M497-L532 HydrophobicContact SD-CD1 4.05Å; M497-L532 HydrophobicContact SD-CD2 3.78Å; M497-L623 HydrophobicContact CG-CB 4.46Å; M497-L623 HydrophobicContact SD-CB 3.92Å; M497-L623 HydrophobicContact SD-CD2 3.9Å; M497-L623 HydrophobicContact SD-CG 4.47Å; M497-L623 VanDerWaalsContact SD-O 3.32Å; M497-R627 HydrophobicContact CE-CB 4.48Å; M497-R627 HydrophobicContact CG-CB 4.06Å; M497-R627 HydrophobicContact CG-CG 4.27Å; M497-R627 HydrophobicContact SD-CB 3.99Å |
| 498 | I | 89.6 | Confident | 85.8 | Confident | 4 Ų | 4 | 52.6 Ų | 52.6 | 2% | 0.021 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -63.8 | -44.5 | 176.7 | -70.8 | 172.4 | 0 | 0 | 0 | 110.6 | I494 E495 A500 L501 L502 V525 R529 L532 | I494-I498 HydrophobicContact CG2-CD1 4Å; I494-I498 WeakPolarHBondContact O-CG1 3.34Å; I494-I498 PolarHBondContact O-N 3.45Å; E495-I498 PolarHBondContact O-N 3.21Å; I498-A500 VanDerWaalsContact C-N 3.33Å; I498-A500 PolarHBondContact O-N 3.27Å; I498-L501 WeakPolarHBondContact O-CB 3.19Å; I498-L501 PolarHBondContact O-N 3.28Å; I498-L502 HydrophobicContact CG2-CD1 4.1Å; I498-L502 WeakPolarHBondContact O-CG 3.45Å; I498-L502 PolarHBondContact O-N 2.75Å; I498-V525 HydrophobicContact CD1-CG1 4.35Å; I498-V525 HydrophobicContact CG2-CG1 3.76Å; I498-R529 HydrophobicContact CD1-CB 3.86Å; I498-R529 HydrophobicContact CD1-CG 4.19Å; I498-L532 HydrophobicContact CG1-CD1 4.25Å |
| 499 | I | 87.3 | Confident | 86.2 | Confident | 102 Ų | 102 | 56.3 Ų | 56.3 | 52% | 0.523 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -61.2 | -45.1 | 176.3 | -67.7 | 166.8 | 0 | 0 | 0 | 110 | E495 E496 L501 L502 A503 | E495-I499 HydrophobicContact CG-CD1 4.23Å; E495-I499 VanDerWaalsContact O-CG1 3.29Å; E495-I499 WeakPolarHBondContact O-CG1 3.27Å; E495-I499 PolarHBondContact O-N 3.43Å; E496-I499 PolarHBondContact O-N 2.97Å; I499-L501 VanDerWaalsContact C-N 3.3Å; I499-L501 PolarHBondContact O-N 3.39Å; I499-L502 PolarHBondContact O-N 2.89Å; I499-A503 WeakPolarHBondContact O-CB 3.35Å; I499-A503 PolarHBondContact O-N 3.33Å |
| 500 | A | 86.8 | Confident | 86.6 | Confident | 35 Ų | 35 | 53.4 Ų | 53.4 | 29% | 0.289 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -65.1 | -30.6 | 178.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | E496 M497 I498 R627 | E496-A500 WeakPolarHBondContact O-CB 3.18Å; E496-A500 PolarHBondContact O-N 3.29Å; M497-A500 PolarHBondContact O-N 3.01Å; I498-A500 VanDerWaalsContact C-N 3.33Å; I498-A500 PolarHBondContact O-N 3.27Å; A500-R627 PolarHBondContact O-NH2 2.92Å |
| 501 | L | 88.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68.3 | -52.7 | 172.6 | -177.7 | 76.4 | 0 | 0 | 0 | 110.7 | M497 I498 I499 A503 S504 L507 W528 R627 L630 L631 | M497-L501 WeakPolarHBondContact O-CB 3.46Å; M497-L501 PolarHBondContact O-N 3.14Å; I498-L501 WeakPolarHBondContact O-CB 3.19Å; I498-L501 PolarHBondContact O-N 3.28Å; I499-L501 VanDerWaalsContact C-N 3.3Å; I499-L501 PolarHBondContact O-N 3.39Å; L501-A503 VanDerWaalsContact C-N 3.26Å; L501-A503 PolarHBondContact O-N 2.87Å; L501-S504 VanDerWaalsContact O-CB 3.26Å; L501-S504 WeakPolarHBondContact O-CB 3.04Å; L501-S504 PolarHBondContact O-N 3.33Å; L501-S504 PolarHBondContact O-OG 2.89Å; L501-L507 HydrophobicContact CG-CD1 4.46Å; L501-L507 WeakPolarHBondContact O-CD1 3.34Å; L501-W528 HydrophobicContact CD2-CE3 3.78Å; L501-W528 HydrophobicContact CD2-CH2 4.35Å; L501-W528 HydrophobicContact CD2-CZ3 3.64Å; L501-R627 HydrophobicContact CD1-CG 4.37Å; L501-L630 HydrophobicContact CD2-CD2 3.49Å; L501-L630 VanDerWaalsContact CD2-CD2 3.49Å; L501-L630 HydrophobicContact CD2-CG 4.07Å; L501-L631 HydrophobicContact CD1-CB 3.88Å; L501-L631 HydrophobicContact CD1-CD1 4.23Å |
| 502 | L | 87.6 | Confident | 87.1 | Confident | 48 Ų | 48 | 55 Ų | 55 | 25% | 0.251 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -65.2 | -29.1 | -179.1 | -68.3 | 176.3 | 0 | 0 | 0 | 112.8 | I498 I499 S504 F511 V525 W528 | I498-L502 HydrophobicContact CG2-CD1 4.1Å; I498-L502 WeakPolarHBondContact O-CG 3.45Å; I498-L502 PolarHBondContact O-N 2.75Å; I499-L502 PolarHBondContact O-N 2.89Å; L502-S504 VanDerWaalsContact C-N 3.26Å; L502-S504 PolarHBondContact O-N 2.8Å; L502-F511 HydrophobicContact CD2-CZ 4.48Å; L502-V525 HydrophobicContact CD1-CG2 4.2Å; L502-V525 HydrophobicContact CD2-CG2 4.47Å; L502-W528 HydrophobicContact CD2-CZ3 4.33Å |
| 503 | A | 86.5 | Confident | 87.4 | Confident | 71 Ų | 71 | 60 Ų | 60 | 59% | 0.587 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.4 | 0.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | I499 L501 | I499-A503 WeakPolarHBondContact O-CB 3.35Å; I499-A503 PolarHBondContact O-N 3.33Å; L501-A503 VanDerWaalsContact C-N 3.26Å; L501-A503 PolarHBondContact O-N 2.87Å |
| 504 | S | 89 | Confident | 87.5 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 7% | 0.07 | 32% | 0.323 | C | S | . | . | trans | -61 | 136.4 | 179.7 | 67.6 | 0 | 0 | 0 | 0 | 111 | L501 L502 Q506 L507 A508 | L501-S504 VanDerWaalsContact O-CB 3.26Å; L501-S504 WeakPolarHBondContact O-CB 3.04Å; L501-S504 PolarHBondContact O-N 3.33Å; L501-S504 PolarHBondContact O-OG 2.89Å; L502-S504 VanDerWaalsContact C-N 3.26Å; L502-S504 PolarHBondContact O-N 2.8Å; S504-Q506 PolarHBondContact O-N 3.33Å; S504-L507 PolarHBondContact O-N 3.46Å; S504-L507 WeakPolarHBondContact OG-CB 3.39Å; S504-L507 WeakPolarHBondContact OG-CD1 3.39Å; S504-A508 PolarHBondContact O-N 2.96Å; S504-A508 VanDerWaalsContact O-N 3.12Å | ||
| 505 | P | 87.2 | Confident | 87.4 | Confident | 103 Ų | 103 | 64 Ų | 64 | 67% | 0.669 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -55.4 | -33.8 | -174.2 | -28.7 | 34.3 | 0 | 0 | 0 | 114.1 | V509 | P505-V509 WeakPolarHBondContact O-CG2 3.35Å; P505-V509 PolarHBondContact O-N 3.15Å |
| 506 | Q | 84.4 | Confident | 87.2 | Confident | 115 Ų | 115 | 64.7 Ų | 64.7 | 54% | 0.537 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -70.6 | -39.1 | -179.3 | -57.6 | -171.7 | 22.4 | 0 | 0 | 112.4 | S504 F510 Q635 | S504-Q506 PolarHBondContact O-N 3.33Å; Q506-F510 WeakPolarHBondContact O-CB 3.34Å; Q506-F510 PolarHBondContact O-N 3.19Å; Q506-F510 VanDerWaalsContact O-N 3.09Å; Q506-Q635 VanDerWaalsContact CD-NE2 3.34Å |
| 507 | L | 86.5 | Confident | 87.2 | Confident | 3 Ų | 3 | 58.4 Ų | 58.4 | 2% | 0.016 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 175.1 | -87.7 | 165.3 | 0 | 0 | 0 | 111.1 | L501 S504 V509 F510 F511 V634 M638 | L501-L507 HydrophobicContact CG-CD1 4.46Å; L501-L507 WeakPolarHBondContact O-CD1 3.34Å; S504-L507 PolarHBondContact O-N 3.46Å; S504-L507 WeakPolarHBondContact OG-CB 3.39Å; S504-L507 WeakPolarHBondContact OG-CD1 3.39Å; L507-V509 PolarHBondContact O-N 2.96Å; L507-F510 PolarHBondContact O-N 3.45Å; L507-F511 HydrophobicContact CB-CE2 4.23Å; L507-F511 HydrophobicContact CB-CZ 4.49Å; L507-F511 HydrophobicContact CD2-CE1 4Å; L507-F511 HydrophobicContact CD2-CE2 4.29Å; L507-F511 HydrophobicContact CD2-CZ 3.71Å; L507-F511 WeakPolarHBondContact O-CB 3.06Å; L507-F511 WeakPolarHBondContact O-CD2 3.49Å; L507-F511 VanDerWaalsContact O-CG 3.22Å; L507-F511 WeakPolarHBondContact O-CG 3.31Å; L507-F511 PolarHBondContact O-N 3.17Å; L507-V634 HydrophobicContact CD1-CG1 4.39Å; L507-V634 HydrophobicContact CD2-CG1 3.91Å; L507-V634 HydrophobicContact CG-CG1 4.49Å; L507-M638 HydrophobicContact CD2-CE 4.4Å; L507-M638 HydrophobicContact CD2-SD 3.34Å; L507-M638 WeakPolarHBondContact CD2-SD 3.24Å; L507-M638 HydrophobicContact CG-SD 4.16Å |
| 508 | A | 86.3 | Confident | 87.1 | Confident | 45 Ų | 45 | 62.9 Ų | 62.9 | 37% | 0.372 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -58 | -50.1 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.1 | S504 F510 F511 E512 | S504-A508 PolarHBondContact O-N 2.96Å; S504-A508 VanDerWaalsContact O-N 3.12Å; A508-F510 VanDerWaalsContact C-N 3.31Å; A508-F510 PolarHBondContact O-N 3.3Å; A508-F511 PolarHBondContact O-N 3.16Å; A508-E512 PolarHBondContact O-N 3.29Å |
| 509 | V | 88.2 | Confident | 86.8 | Confident | 98 Ų | 98 | 64.6 Ų | 64.6 | 59% | 0.594 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -63 | -37.9 | 177.3 | 175 | 0 | 0 | 0 | 0 | 111.6 | P505 L507 K513 | P505-V509 WeakPolarHBondContact O-CG2 3.35Å; P505-V509 PolarHBondContact O-N 3.15Å; L507-V509 PolarHBondContact O-N 2.96Å; V509-K513 PolarHBondContact O-N 2.95Å |
| 510 | F | 88.1 | Confident | 86.7 | Confident | 23 Ų | 23 | 60.2 Ų | 60.2 | 10% | 0.101 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.3 | -42.4 | 177.5 | -174 | -94.8 | 0 | 0 | 0 | 112.3 | Q506 L507 A508 E512 K513 F514 L517 I521 M638 | Q506-F510 WeakPolarHBondContact O-CB 3.34Å; Q506-F510 PolarHBondContact O-N 3.19Å; Q506-F510 VanDerWaalsContact O-N 3.09Å; L507-F510 PolarHBondContact O-N 3.45Å; A508-F510 VanDerWaalsContact C-N 3.31Å; A508-F510 PolarHBondContact O-N 3.3Å; F510-E512 VanDerWaalsContact C-N 3.32Å; F510-E512 PolarHBondContact O-N 3.26Å; F510-K513 PolarHBondContact O-N 3.42Å; F510-K513 VanDerWaalsContact O-N 3.15Å; F510-F514 AromaticContact CD2-CD2 3.72Å; F510-F514 HydrophobicContact CD2-CD2 3.72Å; F510-F514 HydrophobicContact CD2-CE2 4.14Å; F510-F514 HydrophobicContact CE1-CB 4.18Å; F510-F514 HydrophobicContact CE1-CD2 4.28Å; F510-F514 AromaticContact CE2-CD2 3.39Å; F510-F514 HydrophobicContact CE2-CD2 3.39Å; F510-F514 AromaticContact CE2-CE2 3.74Å; F510-F514 HydrophobicContact CE2-CE2 3.74Å; F510-F514 HydrophobicContact CE2-CG 4.32Å; F510-F514 HydrophobicContact CG-CD2 4.3Å; F510-F514 HydrophobicContact CZ-CB 4.23Å; F510-F514 AromaticContact CZ-CD2 3.71Å; F510-F514 HydrophobicContact CZ-CD2 3.71Å; F510-F514 HydrophobicContact CZ-CE2 4.39Å; F510-F514 HydrophobicContact CZ-CG 4.21Å; F510-F514 PolarHBondContact O-N 2.89Å; F510-L517 HydrophobicContact CE1-CB 3.96Å; F510-L517 HydrophobicContact CE1-CD1 3.93Å; F510-L517 HydrophobicContact CZ-CB 4.5Å; F510-L517 HydrophobicContact CZ-CD1 3.6Å; F510-I521 HydrophobicContact CD1-CD1 4.22Å; F510-I521 HydrophobicContact CE1-CD1 3.91Å; F510-M638 HydrophobicContact CB-CE 3.95Å; F510-M638 HydrophobicContact CB-SD 3.76Å; F510-M638 HydrophobicContact CD1-CB 4.44Å; F510-M638 HydrophobicContact CD1-CG 3.91Å; F510-M638 HydrophobicContact CD1-SD 3.47Å; F510-M638 WeakPolarHBondContact CD1-SD 3.48Å; F510-M638 HydrophobicContact CD2-CB 4Å; F510-M638 HydrophobicContact CD2-CE 4.17Å; F510-M638 HydrophobicContact CD2-CG 4.32Å; F510-M638 HydrophobicContact CD2-SD 4.05Å; F510-M638 HydrophobicContact CE1-CB 4.18Å; F510-M638 HydrophobicContact CE1-CG 3.8Å; F510-M638 HydrophobicContact CE1-SD 4.02Å; F510-M638 HydrophobicContact CE2-CB 3.71Å; F510-M638 HydrophobicContact CE2-CG 4.22Å; F510-M638 VanDerWaalsContact CE2-O 3.27Å; F510-M638 WeakPolarHBondContact CE2-O 3.39Å; F510-M638 HydrophobicContact CG-CB 4.35Å; F510-M638 HydrophobicContact CG-CE 3.98Å; F510-M638 HydrophobicContact CG-CG 4.16Å; F510-M638 HydrophobicContact CG-SD 3.48Å; F510-M638 WeakPolarHBondContact CG-SD 3.29Å; F510-M638 HydrophobicContact CZ-CB 3.8Å; F510-M638 HydrophobicContact CZ-CG 3.96Å; F510-M638 WeakPolarHBondContact CZ-O 3.44Å |
| 511 | F | 88.9 | Confident | 86.7 | Confident | 28 Ų | 28 | 58.5 Ų | 58.5 | 12% | 0.123 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -64.8 | -33.4 | 178.1 | -68.4 | -26.3 | 0 | 0 | 0 | 113.3 | L502 L507 A508 K518 I521 | L502-F511 HydrophobicContact CD2-CZ 4.48Å; L507-F511 HydrophobicContact CB-CE2 4.23Å; L507-F511 HydrophobicContact CB-CZ 4.49Å; L507-F511 HydrophobicContact CD2-CE1 4Å; L507-F511 HydrophobicContact CD2-CE2 4.29Å; L507-F511 HydrophobicContact CD2-CZ 3.71Å; L507-F511 WeakPolarHBondContact O-CB 3.06Å; L507-F511 WeakPolarHBondContact O-CD2 3.49Å; L507-F511 VanDerWaalsContact O-CG 3.22Å; L507-F511 WeakPolarHBondContact O-CG 3.31Å; L507-F511 PolarHBondContact O-N 3.17Å; A508-F511 PolarHBondContact O-N 3.16Å; F511-K518 HydrophobicContact CB-CB 4.38Å; F511-K518 HydrophobicContact CB-CD 4.22Å; F511-K518 HydrophobicContact CB-CG 4.27Å; F511-K518 HydrophobicContact CD1-CB 3.7Å; F511-K518 HydrophobicContact CD1-CG 3.77Å; F511-K518 HydrophobicContact CD2-CG 4.24Å; F511-K518 HydrophobicContact CE1-CB 4.19Å; F511-K518 HydrophobicContact CE1-CG 4.09Å; F511-K518 HydrophobicContact CG-CB 4.13Å; F511-K518 HydrophobicContact CG-CD 4.25Å; F511-K518 HydrophobicContact CG-CG 3.85Å; F511-K518 HydrophobicContact CZ-CG 4.46Å; F511-I521 HydrophobicContact CD1-CD1 4.47Å; F511-I521 HydrophobicContact CE1-CB 4.02Å; F511-I521 HydrophobicContact CE1-CD1 3.67Å; F511-I521 HydrophobicContact CE1-CG1 4.42Å; F511-I521 HydrophobicContact CE1-CG2 4.04Å; F511-I521 HydrophobicContact CZ-CB 4.35Å; F511-I521 HydrophobicContact CZ-CG2 3.94Å |
| 512 | E | 86.3 | Confident | 86.5 | Confident | 168 Ų | 168 | 61.1 Ų | 61.1 | 79% | 0.785 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -65.3 | -41 | 171.6 | -73.1 | -175.2 | 171 | 0 | 0 | 111.8 | A508 F510 | A508-E512 PolarHBondContact O-N 3.29Å; F510-E512 VanDerWaalsContact C-N 3.32Å; F510-E512 PolarHBondContact O-N 3.26Å |
| 513 | K | 86.8 | Confident | 86.4 | Confident | 154 Ų | 154 | 64.9 Ų | 64.9 | 67% | 0.67 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -76.7 | -35.4 | -177.8 | -169.4 | 174.4 | 176.8 | -178.1 | 0 | 113.4 | V509 F510 | V509-K513 PolarHBondContact O-N 2.95Å; F510-K513 PolarHBondContact O-N 3.42Å; F510-K513 VanDerWaalsContact O-N 3.15Å |
| 514 | F | 88.3 | Confident | 86.4 | Confident | 26 Ų | 26 | 62.2 Ų | 62.2 | 11% | 0.114 | 33% | 0.33 | C | S | . | . | trans | -129.3 | 72.4 | -175.5 | -59.6 | -76.9 | 0 | 0 | 0 | 111.9 | F510 R516 L517 K518 G642 | F510-F514 AromaticContact CD2-CD2 3.72Å; F510-F514 HydrophobicContact CD2-CD2 3.72Å; F510-F514 HydrophobicContact CD2-CE2 4.14Å; F510-F514 HydrophobicContact CE1-CB 4.18Å; F510-F514 HydrophobicContact CE1-CD2 4.28Å; F510-F514 AromaticContact CE2-CD2 3.39Å; F510-F514 HydrophobicContact CE2-CD2 3.39Å; F510-F514 AromaticContact CE2-CE2 3.74Å; F510-F514 HydrophobicContact CE2-CE2 3.74Å; F510-F514 HydrophobicContact CE2-CG 4.32Å; F510-F514 HydrophobicContact CG-CD2 4.3Å; F510-F514 HydrophobicContact CZ-CB 4.23Å; F510-F514 AromaticContact CZ-CD2 3.71Å; F510-F514 HydrophobicContact CZ-CD2 3.71Å; F510-F514 HydrophobicContact CZ-CE2 4.39Å; F510-F514 HydrophobicContact CZ-CG 4.21Å; F510-F514 PolarHBondContact O-N 2.89Å; F514-R516 PolarHBondContact O-N 3.39Å; F514-L517 HydrophobicContact CB-CB 4.2Å; F514-L517 HydrophobicContact CB-CD1 3.96Å; F514-L517 HydrophobicContact CB-CG 4.33Å; F514-L517 HydrophobicContact CG-CD1 4.27Å; F514-L517 PolarHBondContact O-N 3.07Å; F514-L517 VanDerWaalsContact O-N 3.1Å; F514-K518 PolarHBondContact O-N 3.16Å; F514-G642 WeakPolarHBondContact CE1-O 3.25Å; F514-G642 WeakPolarHBondContact CZ-O 3.49Å | ||
| 515 | P | 86.5 | Confident | 86.4 | Confident | 89 Ų | 89 | 62.6 Ų | 62.6 | 58% | 0.578 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -63.2 | -26.9 | -175.2 | 24.2 | -34.7 | 0 | 0 | 0 | 113.8 | K518 | P515-K518 WeakPolarHBondContact O-CB 3.29Å; P515-K518 PolarHBondContact O-N 3.02Å |
| 516 | R | 84.1 | Confident | 86.4 | Confident | 93 Ų | 93 | 61.4 Ų | 61.4 | 35% | 0.351 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.5 | -34.1 | 176.5 | -58.3 | -169.7 | -174.5 | 152 | -14.9 | 112.8 | F514 K518 E645 A649 D650 N652 A655 | F514-R516 PolarHBondContact O-N 3.39Å; R516-K518 VanDerWaalsContact C-N 3.34Å; R516-E645 WeakPolarHBondContact CD-OE1 3.47Å; R516-E645 IonicContact CZ-OE1 3.96Å; R516-E645 IonicContact NE-OE1 3.47Å; R516-E645 IonicContact NH1-OE1 3.15Å; R516-E645 PolarHBondContact NH1-OE1 3.4Å; R516-A649 PolarHBondContact NH1-O 3.49Å; R516-D650 PolarHBondContact NH2-O 3.34Å; R516-N652 WeakPolarHBondContact CG-OD1 3.47Å; R516-A655 HydrophobicContact CB-CB 3.79Å |
| 517 | L | 86.5 | Confident | 86.5 | Confident | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -77.4 | -22 | 176.9 | -69.1 | 174.3 | 0 | 0 | 0 | 112.1 | F510 F514 A519 A520 I521 E645 A655 W659 | F510-L517 HydrophobicContact CE1-CB 3.96Å; F510-L517 HydrophobicContact CE1-CD1 3.93Å; F510-L517 HydrophobicContact CZ-CB 4.5Å; F510-L517 HydrophobicContact CZ-CD1 3.6Å; F514-L517 HydrophobicContact CB-CB 4.2Å; F514-L517 HydrophobicContact CB-CD1 3.96Å; F514-L517 HydrophobicContact CB-CG 4.33Å; F514-L517 HydrophobicContact CG-CD1 4.27Å; F514-L517 PolarHBondContact O-N 3.07Å; F514-L517 VanDerWaalsContact O-N 3.1Å; L517-A519 VanDerWaalsContact C-N 3.33Å; L517-A519 PolarHBondContact O-N 2.82Å; L517-A520 PolarHBondContact O-N 2.9Å; L517-I521 VanDerWaalsContact O-CG1 3.31Å; L517-I521 WeakPolarHBondContact O-CG1 3.34Å; L517-I521 PolarHBondContact O-N 3.23Å; L517-E645 HydrophobicContact CD1-CB 4.28Å; L517-E645 HydrophobicContact CD1-CG 4.43Å; L517-E645 HydrophobicContact CG-CG 4.39Å; L517-A655 HydrophobicContact CD2-CB 4.02Å; L517-A655 WeakPolarHBondContact CD2-O 3.42Å; L517-W659 HydrophobicContact CD2-CB 4.34Å |
| 518 | K | 86.7 | Confident | 86.6 | Confident | 105 Ų | 105 | 62.4 Ų | 62.4 | 46% | 0.457 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -55.1 | -48.9 | 173.8 | -177.2 | -175 | 178 | 179.2 | 0 | 111.5 | F511 F514 P515 R516 A520 I521 T522 | F511-K518 HydrophobicContact CB-CB 4.38Å; F511-K518 HydrophobicContact CB-CD 4.22Å; F511-K518 HydrophobicContact CB-CG 4.27Å; F511-K518 HydrophobicContact CD1-CB 3.7Å; F511-K518 HydrophobicContact CD1-CG 3.77Å; F511-K518 HydrophobicContact CD2-CG 4.24Å; F511-K518 HydrophobicContact CE1-CB 4.19Å; F511-K518 HydrophobicContact CE1-CG 4.09Å; F511-K518 HydrophobicContact CG-CB 4.13Å; F511-K518 HydrophobicContact CG-CD 4.25Å; F511-K518 HydrophobicContact CG-CG 3.85Å; F511-K518 HydrophobicContact CZ-CG 4.46Å; F514-K518 PolarHBondContact O-N 3.16Å; P515-K518 WeakPolarHBondContact O-CB 3.29Å; P515-K518 PolarHBondContact O-N 3.02Å; R516-K518 VanDerWaalsContact C-N 3.34Å; K518-A520 VanDerWaalsContact C-N 3.35Å; K518-A520 PolarHBondContact O-N 2.72Å; K518-I521 PolarHBondContact O-N 3.13Å; K518-T522 PolarHBondContact O-N 3Å; K518-T522 PolarHBondContact O-OG1 2.91Å |
| 519 | A | 83.7 | Confident | 86.7 | Confident | 41 Ų | 41 | 63.4 Ų | 63.4 | 34% | 0.339 | 32% | 0.318 | S | S | . | . | H | α-helix | trans | -58.6 | -46.9 | 179.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | L517 I521 T522 D523 | L517-A519 VanDerWaalsContact C-N 3.33Å; L517-A519 PolarHBondContact O-N 2.82Å; A519-I521 VanDerWaalsContact C-N 3.35Å; A519-I521 PolarHBondContact O-N 3.38Å; A519-T522 WeakPolarHBondContact CA-OG1 3.42Å; A519-T522 PolarHBondContact O-N 3.3Å; A519-T522 PolarHBondContact O-OG1 3.27Å; A519-D523 PolarHBondContact O-N 3.43Å |
| 520 | A | 83.6 | Confident | 86.6 | Confident | 9 Ų | 9 | 64 Ų | 64 | 7% | 0.074 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -61.3 | -39.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | L517 K518 D523 W659 | L517-A520 PolarHBondContact O-N 2.9Å; K518-A520 VanDerWaalsContact C-N 3.35Å; K518-A520 PolarHBondContact O-N 2.72Å; A520-D523 PolarHBondContact O-N 3Å; A520-W659 HydrophobicContact CB-CB 3.87Å; A520-W659 HydrophobicContact CB-CG 4.08Å |
| 521 | I | 86.4 | Confident | 86.5 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.6 | -38.6 | 177.5 | -67.1 | 165.5 | 0 | 0 | 0 | 110.6 | F510 F511 L517 K518 A519 D523 D524 W528 M638 W659 | F510-I521 HydrophobicContact CD1-CD1 4.22Å; F510-I521 HydrophobicContact CE1-CD1 3.91Å; F511-I521 HydrophobicContact CD1-CD1 4.47Å; F511-I521 HydrophobicContact CE1-CB 4.02Å; F511-I521 HydrophobicContact CE1-CD1 3.67Å; F511-I521 HydrophobicContact CE1-CG1 4.42Å; F511-I521 HydrophobicContact CE1-CG2 4.04Å; F511-I521 HydrophobicContact CZ-CB 4.35Å; F511-I521 HydrophobicContact CZ-CG2 3.94Å; L517-I521 VanDerWaalsContact O-CG1 3.31Å; L517-I521 WeakPolarHBondContact O-CG1 3.34Å; L517-I521 PolarHBondContact O-N 3.23Å; K518-I521 PolarHBondContact O-N 3.13Å; A519-I521 VanDerWaalsContact C-N 3.35Å; A519-I521 PolarHBondContact O-N 3.38Å; I521-D523 VanDerWaalsContact C-N 3.3Å; I521-D523 PolarHBondContact O-N 3.15Å; I521-D524 WeakPolarHBondContact O-CB 3.23Å; I521-D524 PolarHBondContact O-N 3.49Å; I521-W528 HydrophobicContact CG2-CH2 3.81Å; I521-M638 HydrophobicContact CD1-CG 4.13Å; I521-M638 HydrophobicContact CD1-SD 4.45Å; I521-W659 HydrophobicContact CD1-CE3 4.16Å; I521-W659 HydrophobicContact CD1-CH2 4.07Å; I521-W659 HydrophobicContact CD1-CZ2 4.47Å; I521-W659 HydrophobicContact CD1-CZ3 3.88Å; I521-W659 HydrophobicContact CG1-CD2 3.76Å; I521-W659 HydrophobicContact CG1-CE3 3.85Å; I521-W659 HydrophobicContact CG1-CH2 3.78Å; I521-W659 HydrophobicContact CG1-CZ2 3.68Å; I521-W659 HydrophobicContact CG1-CZ3 3.84Å |
| 522 | T | 85.6 | Confident | 86.5 | Confident | 54 Ų | 54 | 64.8 Ų | 64.8 | 33% | 0.331 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -68.2 | -29.5 | 176.3 | 44.5 | 0 | 0 | 0 | 0 | 113.1 | K518 A519 D524 V525 | K518-T522 PolarHBondContact O-N 3Å; K518-T522 PolarHBondContact O-OG1 2.91Å; A519-T522 WeakPolarHBondContact CA-OG1 3.42Å; A519-T522 PolarHBondContact O-N 3.3Å; A519-T522 PolarHBondContact O-OG1 3.27Å; T522-D524 PolarHBondContact O-N 3.38Å; T522-V525 WeakPolarHBondContact O-CB 3.31Å; T522-V525 WeakPolarHBondContact O-CG2 3.24Å; T522-V525 PolarHBondContact O-N 3.32Å; T522-V525 VanDerWaalsContact O-N 3.17Å |
| 523 | D | 85.3 | Confident | 86.5 | Confident | 127 Ų | 127 | 60 Ų | 60 | 68% | 0.679 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -66 | -19.8 | 174.7 | -67.2 | -18.9 | 0 | 0 | 0 | 112.4 | A519 A520 I521 P526 | A519-D523 PolarHBondContact O-N 3.43Å; A520-D523 PolarHBondContact O-N 3Å; I521-D523 VanDerWaalsContact C-N 3.3Å; I521-D523 PolarHBondContact O-N 3.15Å; D523-P526 WeakPolarHBondContact O-CD 3.45Å |
| 524 | D | 86.2 | Confident | 86.4 | Confident | 15 Ų | 15 | 55 Ų | 55 | 8% | 0.08 | 29% | 0.288 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.5 | -14.3 | 176.2 | -105.1 | -17.7 | 0 | 0 | 0 | 113.4 | I521 T522 R527 W528 R637 W659 | I521-D524 WeakPolarHBondContact O-CB 3.23Å; I521-D524 PolarHBondContact O-N 3.49Å; T522-D524 PolarHBondContact O-N 3.38Å; D524-R527 WeakPolarHBondContact O-CB 3.39Å; D524-R527 PolarHBondContact O-N 2.97Å; D524-R527 VanDerWaalsContact O-N 3.08Å; D524-R527 IonicContact OD1-CZ 3.49Å; D524-R527 IonicContact OD1-NE 3.78Å; D524-R527 PolarHBondContact OD1-NE 3.39Å; D524-R527 IonicContact OD1-NH2 3.77Å; D524-R527 PolarHBondContact OD1-NH2 3.2Å; D524-R527 IonicContact OD2-CZ 3.31Å; D524-R527 IonicContact OD2-NH2 2.96Å; D524-R527 PolarHBondContact OD2-NH2 2.9Å; D524-W528 HydrophobicContact CB-CD2 4.49Å; D524-W528 HydrophobicContact CB-CZ2 3.88Å; D524-W528 PolarHBondContact O-N 2.78Å; D524-R637 IonicContact OD2-CZ 2.87Å; D524-R637 IonicContact OD2-NH1 2.65Å; D524-R637 PolarHBondContact OD2-NH1 2.96Å; D524-R637 IonicContact OD2-NH2 3.07Å; D524-W659 PolarHBondContact OD2-NE1 3.37Å |
| 525 | V | 88.3 | Confident | 86.3 | Confident | 18 Ų | 18 | 58.2 Ų | 58.2 | 11% | 0.109 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -58.5 | -44.4 | -176 | 172.6 | 0 | 0 | 0 | 0 | 113.5 | I498 L502 T522 R527 W528 R529 | I498-V525 HydrophobicContact CD1-CG1 4.35Å; I498-V525 HydrophobicContact CG2-CG1 3.76Å; L502-V525 HydrophobicContact CD1-CG2 4.2Å; L502-V525 HydrophobicContact CD2-CG2 4.47Å; T522-V525 WeakPolarHBondContact O-CB 3.31Å; T522-V525 WeakPolarHBondContact O-CG2 3.24Å; T522-V525 PolarHBondContact O-N 3.32Å; T522-V525 VanDerWaalsContact O-N 3.17Å; V525-R527 VanDerWaalsContact C-N 3.25Å; V525-R527 PolarHBondContact O-N 3.05Å; V525-W528 HydrophobicContact CG2-CE3 4.13Å; V525-W528 HydrophobicContact CG2-CZ3 4.15Å; V525-W528 PolarHBondContact O-N 2.94Å; V525-R529 PolarHBondContact O-N 3.28Å |
| 526 | P | 87.1 | Confident | 86.3 | Confident | 78 Ų | 78 | 54.2 Ų | 54.2 | 51% | 0.506 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -59.6 | -37.2 | 175.7 | -23.4 | 34.9 | 0 | 0 | 0 | 112.7 | D523 R529 E530 | D523-P526 WeakPolarHBondContact O-CD 3.45Å; P526-R529 PolarHBondContact O-N 3.42Å; P526-E530 PolarHBondContact O-N 3.32Å; P526-E530 VanDerWaalsContact O-N 3.11Å |
| 527 | R | 86.7 | Confident | 86.1 | Confident | 129 Ų | 129 | 54.2 Ų | 54.2 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.3 | -41.6 | 177.3 | -176.8 | 173.8 | 68.4 | 123.1 | -1.3 | 111.3 | D524 V525 E530 A531 | D524-R527 WeakPolarHBondContact O-CB 3.39Å; D524-R527 PolarHBondContact O-N 2.97Å; D524-R527 VanDerWaalsContact O-N 3.08Å; D524-R527 IonicContact OD1-CZ 3.49Å; D524-R527 IonicContact OD1-NE 3.78Å; D524-R527 PolarHBondContact OD1-NE 3.39Å; D524-R527 IonicContact OD1-NH2 3.77Å; D524-R527 PolarHBondContact OD1-NH2 3.2Å; D524-R527 IonicContact OD2-CZ 3.31Å; D524-R527 IonicContact OD2-NH2 2.96Å; D524-R527 PolarHBondContact OD2-NH2 2.9Å; V525-R527 VanDerWaalsContact C-N 3.25Å; V525-R527 PolarHBondContact O-N 3.05Å; R527-E530 PolarHBondContact O-N 2.97Å; R527-A531 WeakPolarHBondContact O-CB 3.45Å; R527-A531 PolarHBondContact O-N 2.98Å |
| 528 | W | 88.7 | Confident | 85.8 | Confident | 10 Ų | 10 | 58.9 Ų | 58.9 | 4% | 0.038 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -64.6 | -42 | 174.5 | -59.2 | -20.7 | 0 | 0 | 0 | 112 | L501 L502 I521 D524 V525 E530 A531 L532 L630 V634 | L501-W528 HydrophobicContact CD2-CE3 3.78Å; L501-W528 HydrophobicContact CD2-CH2 4.35Å; L501-W528 HydrophobicContact CD2-CZ3 3.64Å; L502-W528 HydrophobicContact CD2-CZ3 4.33Å; I521-W528 HydrophobicContact CG2-CH2 3.81Å; D524-W528 HydrophobicContact CB-CD2 4.49Å; D524-W528 HydrophobicContact CB-CZ2 3.88Å; D524-W528 PolarHBondContact O-N 2.78Å; V525-W528 HydrophobicContact CG2-CE3 4.13Å; V525-W528 HydrophobicContact CG2-CZ3 4.15Å; V525-W528 PolarHBondContact O-N 2.94Å; W528-E530 VanDerWaalsContact C-N 3.31Å; W528-E530 PolarHBondContact O-N 3.35Å; W528-A531 PolarHBondContact O-N 3.47Å; W528-L532 WeakPolarHBondContact O-CD1 3.4Å; W528-L532 VanDerWaalsContact O-CG 3.24Å; W528-L532 WeakPolarHBondContact O-CG 3.36Å; W528-L532 PolarHBondContact O-N 3.43Å; W528-L630 HydrophobicContact CB-CD2 4.23Å; W528-L630 HydrophobicContact CD2-CD1 4.34Å; W528-L630 HydrophobicContact CD2-CD2 3.98Å; W528-L630 HydrophobicContact CE3-CD2 4.27Å; W528-L630 HydrophobicContact CG-CD1 4.25Å; W528-L630 HydrophobicContact CG-CD2 3.97Å; W528-V634 HydrophobicContact CH2-CG2 3.89Å; W528-V634 HydrophobicContact CZ2-CG2 3.62Å |
| 529 | R | 88.9 | Confident | 85.8 | Confident | 67 Ų | 67 | 54 Ų | 54 | 25% | 0.253 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -57 | -45.7 | 176.6 | -170.3 | 179.9 | -70.4 | 118.5 | -4.6 | 111.5 | I494 E495 I498 V525 P526 L532 R533 | I494-R529 HydrophobicContact CG2-CG 3.97Å; E495-R529 IonicContact OE1-NH2 3.29Å; E495-R529 PolarHBondContact OE1-NH2 2.95Å; E495-R529 IonicContact OE2-CZ 3.86Å; E495-R529 IonicContact OE2-NE 3.58Å; E495-R529 PolarHBondContact OE2-NE 3.23Å; E495-R529 IonicContact OE2-NH2 2.74Å; E495-R529 PolarHBondContact OE2-NH2 3.46Å; I498-R529 HydrophobicContact CD1-CB 3.86Å; I498-R529 HydrophobicContact CD1-CG 4.19Å; V525-R529 PolarHBondContact O-N 3.28Å; P526-R529 PolarHBondContact O-N 3.42Å; R529-L532 PolarHBondContact O-N 2.86Å; R529-R533 WeakPolarHBondContact O-CG 3.42Å; R529-R533 PolarHBondContact O-N 2.64Å |
| 530 | E | 86.1 | Confident | 85.9 | Confident | 110 Ų | 110 | 60.7 Ų | 60.7 | 51% | 0.514 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -68.6 | -39.4 | 179 | -166.3 | 57.1 | -148.4 | 0 | 0 | 112.3 | P526 R527 W528 L532 R533 S534 | P526-E530 PolarHBondContact O-N 3.32Å; P526-E530 VanDerWaalsContact O-N 3.11Å; R527-E530 PolarHBondContact O-N 2.97Å; W528-E530 VanDerWaalsContact C-N 3.31Å; W528-E530 PolarHBondContact O-N 3.35Å; E530-L532 PolarHBondContact O-N 3.08Å; E530-R533 PolarHBondContact O-N 2.76Å; E530-S534 PolarHBondContact O-N 3.5Å |
| 531 | A | 85.1 | Confident | 86.2 | Confident | 61 Ų | 61 | 60.7 Ų | 60.7 | 50% | 0.504 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61 | -43.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | R527 W528 S534 R535 | R527-A531 WeakPolarHBondContact O-CB 3.45Å; R527-A531 PolarHBondContact O-N 2.98Å; W528-A531 PolarHBondContact O-N 3.47Å; A531-S534 PolarHBondContact O-N 2.81Å; A531-R535 WeakPolarHBondContact O-CB 3.32Å; A531-R535 PolarHBondContact O-N 2.84Å |
| 532 | L | 89.7 | Confident | 86.4 | Confident | 7 Ų | 7 | 63 Ų | 63 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.2 | -41.4 | 176.6 | -65.2 | 161.2 | 0 | 0 | 0 | 111.8 | I494 M497 I498 W528 R529 E530 R535 L536 L623 E626 | I494-L532 HydrophobicContact CG2-CB 4.34Å; I494-L532 HydrophobicContact CG2-CD1 4.03Å; M497-L532 HydrophobicContact CE-CD1 3.17Å; M497-L532 HydrophobicContact CE-CD2 3.66Å; M497-L532 HydrophobicContact CE-CG 4.02Å; M497-L532 HydrophobicContact SD-CD1 4.05Å; M497-L532 HydrophobicContact SD-CD2 3.78Å; I498-L532 HydrophobicContact CG1-CD1 4.25Å; W528-L532 WeakPolarHBondContact O-CD1 3.4Å; W528-L532 VanDerWaalsContact O-CG 3.24Å; W528-L532 WeakPolarHBondContact O-CG 3.36Å; W528-L532 PolarHBondContact O-N 3.43Å; R529-L532 PolarHBondContact O-N 2.86Å; E530-L532 PolarHBondContact O-N 3.08Å; L532-R535 PolarHBondContact O-N 3.27Å; L532-L536 PolarHBondContact O-N 3.22Å; L532-L623 HydrophobicContact CB-CD2 4.28Å; L532-L623 HydrophobicContact CD2-CD2 3.98Å; L532-E626 HydrophobicContact CD2-CB 3.78Å; L532-E626 HydrophobicContact CD2-CG 4.41Å |
| 533 | R | 87.2 | Confident | 86.4 | Confident | 68 Ų | 68 | 64.8 Ų | 64.8 | 26% | 0.257 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -60 | -49.4 | 174.1 | -77.1 | -179.5 | 180 | -170.5 | -4.5 | 111.5 | E491 I494 R529 E530 R535 L536 K537 | E491-R533 IonicContact OE1-NH2 3.94Å; E491-R533 PolarHBondContact OE1-NH2 2.77Å; I494-R533 HydrophobicContact CD1-CB 4.47Å; I494-R533 HydrophobicContact CD1-CG 3.49Å; I494-R533 VanDerWaalsContact CD1-CG 3.49Å; R529-R533 WeakPolarHBondContact O-CG 3.42Å; R529-R533 PolarHBondContact O-N 2.64Å; E530-R533 PolarHBondContact O-N 2.76Å; R533-R535 VanDerWaalsContact C-N 3.28Å; R533-R535 PolarHBondContact O-N 3.46Å; R533-L536 PolarHBondContact O-N 2.84Å; R533-K537 WeakPolarHBondContact O-CG 3.41Å; R533-K537 PolarHBondContact O-N 3Å |
| 534 | S | 84.3 | Confident | 86.7 | Confident | 48 Ų | 48 | 63.5 Ų | 63.5 | 34% | 0.336 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -58.9 | -43.6 | 176.7 | -164.8 | 0 | 0 | 0 | 0 | 110.9 | E530 A531 L536 K537 D538 | E530-S534 PolarHBondContact O-N 3.5Å; A531-S534 PolarHBondContact O-N 2.81Å; S534-L536 PolarHBondContact O-N 3.06Å; S534-K537 PolarHBondContact O-N 3.4Å; S534-K537 VanDerWaalsContact O-N 3.11Å; S534-D538 PolarHBondContact O-N 3.27Å; S534-D538 PolarHBondContact OG-OD2 3.45Å |
| 535 | R | 85.5 | Confident | 87 | Confident | 93 Ų | 93 | 63.3 Ų | 63.3 | 35% | 0.351 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61.2 | -42.9 | -179.6 | -176.9 | 64 | 177.6 | 102.2 | 4.5 | 112.9 | A531 L532 R533 A539 E626 | A531-R535 WeakPolarHBondContact O-CB 3.32Å; A531-R535 PolarHBondContact O-N 2.84Å; L532-R535 PolarHBondContact O-N 3.27Å; R533-R535 VanDerWaalsContact C-N 3.28Å; R533-R535 PolarHBondContact O-N 3.46Å; R535-A539 WeakPolarHBondContact O-CB 3.1Å; R535-A539 PolarHBondContact O-N 3.34Å; R535-A539 VanDerWaalsContact O-N 3.11Å; R535-E626 WeakPolarHBondContact CD-OE1 3.18Å; R535-E626 HydrophobicContact CG-CG 3.88Å; R535-E626 WeakPolarHBondContact CG-OE1 3.36Å; R535-E626 IonicContact CZ-OE1 3.96Å; R535-E626 IonicContact NE-OE1 3.08Å; R535-E626 PolarHBondContact NE-OE1 3.18Å |
| 536 | L | 86.3 | Confident | 87 | Confident | 5 Ų | 5 | 63.5 Ų | 63.5 | 3% | 0.026 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -66.8 | -39.2 | 173.9 | -71.4 | 179.2 | 0 | 0 | 0 | 111.4 | L479 E490 I494 L532 R533 S534 D538 A539 L622 L623 | L479-L536 HydrophobicContact CD2-CD2 3.98Å; E490-L536 HydrophobicContact CB-CD1 3.81Å; E490-L536 HydrophobicContact CG-CD1 4.13Å; I494-L536 HydrophobicContact CD1-CD1 4.1Å; I494-L536 HydrophobicContact CG1-CD1 4.18Å; L532-L536 PolarHBondContact O-N 3.22Å; R533-L536 PolarHBondContact O-N 2.84Å; S534-L536 PolarHBondContact O-N 3.06Å; L536-D538 PolarHBondContact O-N 3.24Å; L536-A539 WeakPolarHBondContact O-CB 3.2Å; L536-A539 PolarHBondContact O-N 3.45Å; L536-L622 HydrophobicContact CD2-CB 4.15Å; L536-L622 HydrophobicContact CD2-CD1 4.28Å; L536-L623 HydrophobicContact CD1-CD1 4.33Å; L536-L623 HydrophobicContact CD1-CD2 4.07Å; L536-L623 HydrophobicContact CD1-CG 4.29Å; L536-L623 HydrophobicContact CD2-CD2 4.48Å; L536-L623 HydrophobicContact CD2-CG 4.3Å; L536-L623 HydrophobicContact CG-CD2 4.31Å |
| 537 | K | 81.2 | Confident | 87.2 | Confident | 94 Ų | 94 | 63.4 Ų | 63.4 | 41% | 0.409 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -62.7 | -42.3 | 178.9 | -77 | 178.4 | 176.1 | -179.2 | 0 | 113.6 | D480 R533 S534 A539 | D480-K537 HydrophobicContact CB-CB 4.42Å; D480-K537 HydrophobicContact CB-CG 4.16Å; R533-K537 WeakPolarHBondContact O-CG 3.41Å; R533-K537 PolarHBondContact O-N 3Å; S534-K537 PolarHBondContact O-N 3.4Å; S534-K537 VanDerWaalsContact O-N 3.11Å; K537-A539 VanDerWaalsContact C-N 3.34Å |
| 538 | D | 79.6 | Confident | 87.5 | Confident | 97 Ų | 97 | 57.4 Ų | 57.4 | 52% | 0.519 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -84.9 | -10 | -178.8 | -61.4 | -40.4 | 0 | 0 | 0 | 113 | S534 L536 R540 | S534-D538 PolarHBondContact O-N 3.27Å; S534-D538 PolarHBondContact OG-OD2 3.45Å; L536-D538 PolarHBondContact O-N 3.24Å; D538-R540 PolarHBondContact O-N 3.41Å |
| 539 | A | 85.9 | Confident | 87.6 | Confident | 2 Ų | 2 | 57 Ų | 57 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | P | Polyproline II helix | trans | -63.7 | 134.3 | 179.1 | 0 | 0 | 0 | 0 | 0 | 110.9 | T478 L479 R535 L536 K537 L622 | T478-A539 CarbonylContact C-O 3.6Å; T478-A539 WeakPolarHBondContact CA-O 3.4Å; L479-A539 HydrophobicContact CB-CB 4.06Å; L479-A539 HydrophobicContact CD2-CB 4.05Å; L479-A539 PolarHBondContact N-O 3.47Å; R535-A539 WeakPolarHBondContact O-CB 3.1Å; R535-A539 PolarHBondContact O-N 3.34Å; R535-A539 VanDerWaalsContact O-N 3.11Å; L536-A539 WeakPolarHBondContact O-CB 3.2Å; L536-A539 PolarHBondContact O-N 3.45Å; K537-A539 VanDerWaalsContact C-N 3.34Å; A539-L622 HydrophobicContact CB-CD1 3.54Å |
| 540 | R | 86.7 | Confident | 87.6 | Confident | 183 Ų | 183 | 57 Ų | 57 | 69% | 0.691 | 29% | 0.285 | S | S | * | . | B | Isolated β-bridge | trans | -88.4 | 136.9 | 178.6 | -63.5 | -176.8 | -175.7 | -179.7 | 1.9 | 109.9 | D538 | D538-R540 PolarHBondContact O-N 3.41Å |
| 541 | V | 88.5 | Confident | 87.8 | Confident | 8 Ų | 8 | 52.4 Ų | 52.4 | 5% | 0.048 | 27% | 0.265 | C | S | . | . | P | Polyproline II helix | trans | -71.9 | 136.1 | 171.1 | -179 | 0 | 0 | 0 | 0 | 108.4 | L477 L479 L482 L545 | L477-V541 HydrophobicContact CB-CB 4.26Å; L477-V541 HydrophobicContact CB-CG2 4.28Å; L477-V541 HydrophobicContact CD2-CG2 4.2Å; L477-V541 HydrophobicContact CG-CG2 4.21Å; L477-V541 WeakPolarHBondContact O-CB 3.45Å; L477-V541 WeakPolarHBondContact O-CG2 3.48Å; L477-V541 PolarHBondContact O-N 3.32Å; L479-V541 HydrophobicContact CB-CG2 4.43Å; L482-V541 HydrophobicContact CB-CG2 3.98Å; L482-V541 HydrophobicContact CD2-CG1 4Å; L482-V541 HydrophobicContact CD2-CG2 3.82Å; V541-L545 HydrophobicContact CG1-CB 3.74Å; V541-L545 HydrophobicContact CG1-CD2 3.79Å; V541-L545 HydrophobicContact CG1-CG 3.65Å |
| 542 | P | 90.7 | Very high | 88.1 | Confident | 48 Ų | 48 | 50.2 Ų | 50.2 | 31% | 0.312 | 24% | 0.244 | S | C | . | . | P | Polyproline II helix | trans | -50.4 | 143.4 | 172.5 | -28.1 | 35.2 | 0 | 0 | 0 | 111.8 | E544 L545 T546 L618 | P542-E544 PolarHBondContact O-N 2.98Å; P542-L545 HydrophobicContact CB-CB 4.48Å; P542-L545 PolarHBondContact O-N 3.48Å; P542-T546 PolarHBondContact O-N 3.29Å; P542-T546 PolarHBondContact O-OG1 3.25Å; P542-L618 HydrophobicContact CG-CD2 4.4Å |
| 543 | P | 87.5 | Confident | 88 | Confident | 92 Ų | 92 | 52.2 Ų | 52.2 | 60% | 0.597 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -60.4 | -33.2 | -175.8 | 23.4 | -32.1 | 0 | 0 | 0 | 112.6 | T546 E547 | P543-T546 WeakPolarHBondContact O-CB 3.27Å; P543-T546 PolarHBondContact O-N 2.86Å; P543-E547 PolarHBondContact O-N 2.98Å |
| 544 | E | 90.7 | Very high | 87.9 | Confident | 101 Ų | 101 | 55 Ų | 55 | 47% | 0.472 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.4 | -48.2 | 177.1 | -56 | 79.1 | -172.9 | 0 | 0 | 111 | P542 T546 E547 E548 L577 | P542-E544 PolarHBondContact O-N 2.98Å; E544-T546 VanDerWaalsContact C-N 3.31Å; E544-T546 PolarHBondContact O-N 2.84Å; E544-E547 PolarHBondContact O-N 3.47Å; E544-E548 PolarHBondContact O-N 3.34Å; E544-L577 HydrophobicContact CB-CD2 4.24Å |
| 545 | L | 91.7 | Very high | 88.2 | Confident | 11 Ų | 11 | 52.8 Ų | 52.8 | 6% | 0.058 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -67.5 | -33.9 | 177.2 | -179.2 | 55.6 | 0 | 0 | 0 | 111.5 | L482 V541 P542 E548 V549 L611 Q614 L618 | L482-L545 HydrophobicContact CD2-CD2 3.87Å; L482-L545 HydrophobicContact CD2-CG 4.31Å; V541-L545 HydrophobicContact CG1-CB 3.74Å; V541-L545 HydrophobicContact CG1-CD2 3.79Å; V541-L545 HydrophobicContact CG1-CG 3.65Å; P542-L545 HydrophobicContact CB-CB 4.48Å; P542-L545 PolarHBondContact O-N 3.48Å; L545-E548 PolarHBondContact O-N 3.47Å; L545-V549 HydrophobicContact CD1-CG2 4.07Å; L545-V549 HydrophobicContact CG-CG2 4.4Å; L545-V549 WeakPolarHBondContact O-CB 3.44Å; L545-V549 WeakPolarHBondContact O-CG2 3.35Å; L545-V549 PolarHBondContact O-N 2.88Å; L545-L611 HydrophobicContact CD1-CD2 3.79Å; L545-Q614 HydrophobicContact CD1-CB 4.19Å; L545-Q614 HydrophobicContact CD2-CB 4.27Å; L545-L618 HydrophobicContact CD2-CD2 4.47Å |
| 546 | T | 89.2 | Confident | 88.2 | Confident | 21 Ų | 21 | 50.7 Ų | 50.7 | 13% | 0.129 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -61.4 | -47.7 | 173.1 | -59.1 | 0 | 0 | 0 | 0 | 110.9 | L477 P542 P543 E544 E548 V549 M550 | L477-T546 HydrophobicContact CB-CG2 3.9Å; P542-T546 PolarHBondContact O-N 3.29Å; P542-T546 PolarHBondContact O-OG1 3.25Å; P543-T546 WeakPolarHBondContact O-CB 3.27Å; P543-T546 PolarHBondContact O-N 2.86Å; E544-T546 VanDerWaalsContact C-N 3.31Å; E544-T546 PolarHBondContact O-N 2.84Å; T546-E548 VanDerWaalsContact C-N 3.33Å; T546-E548 PolarHBondContact O-N 2.91Å; T546-V549 PolarHBondContact O-N 3.46Å; T546-M550 HydrophobicContact CG2-CE 4.49Å; T546-M550 HydrophobicContact CG2-CG 4.5Å; T546-M550 WeakPolarHBondContact O-CG 3.44Å; T546-M550 PolarHBondContact O-N 3.34Å |
| 547 | E | 90.7 | Very high | 88 | Confident | 76 Ų | 76 | 52.7 Ų | 52.7 | 36% | 0.355 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.4 | -41.2 | 177.7 | -167.1 | -179.5 | 162.4 | 0 | 0 | 111.5 | P543 E544 M550 C551 R576 L577 | P543-E547 PolarHBondContact O-N 2.98Å; E544-E547 PolarHBondContact O-N 3.47Å; E547-M550 PolarHBondContact O-N 3.19Å; E547-C551 WeakPolarHBondContact O-CB 3.19Å; E547-C551 PolarHBondContact O-N 3.38Å; E547-R576 IonicContact OE1-CZ 3.96Å; E547-R576 VanDerWaalsContact OE1-CZ 3.27Å; E547-R576 IonicContact OE1-NH1 2.78Å; E547-R576 PolarHBondContact OE1-NH1 3.4Å; E547-R576 IonicContact OE1-NH2 3.49Å; E547-R576 PolarHBondContact OE1-NH2 2.85Å; E547-R576 IonicContact OE2-NH1 3.37Å; E547-R576 PolarHBondContact OE2-NH1 2.99Å; E547-L577 HydrophobicContact CB-CD1 3.93Å; E547-L577 HydrophobicContact CB-CD2 4.34Å; E547-L577 HydrophobicContact CG-CD1 4.08Å |
| 548 | E | 93.8 | Very high | 88.3 | Confident | 3 Ų | 3 | 49 Ų | 49 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -61.3 | -47.2 | 176.3 | -170 | -179.4 | 175 | 0 | 0 | 112 | E544 L545 T546 M550 C551 Y552 L574 L577 S579 W607 L611 Q614 | E544-E548 PolarHBondContact O-N 3.34Å; L545-E548 PolarHBondContact O-N 3.47Å; T546-E548 VanDerWaalsContact C-N 3.33Å; T546-E548 PolarHBondContact O-N 2.91Å; E548-M550 PolarHBondContact O-N 3.09Å; E548-C551 WeakPolarHBondContact O-CB 3.15Å; E548-C551 PolarHBondContact O-N 2.91Å; E548-Y552 PolarHBondContact O-N 3.36Å; E548-L574 HydrophobicContact CG-CD2 3.9Å; E548-L577 HydrophobicContact CB-CD1 3.94Å; E548-S579 VanDerWaalsContact CD-OG 3.28Å; E548-S579 WeakPolarHBondContact OE1-CB 3.45Å; E548-S579 PolarHBondContact OE1-OG 3.49Å; E548-S579 WeakPolarHBondContact OE2-CB 3.18Å; E548-S579 PolarHBondContact OE2-OG 3.46Å; E548-W607 HydrophobicContact CG-CZ2 4.12Å; E548-W607 PolarHBondContact OE1-NE1 3.09Å; E548-L611 HydrophobicContact CG-CD2 3.96Å; E548-Q614 PolarHBondContact OE2-NE2 2.87Å |
| 549 | V | 90.9 | Very high | 88.5 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.012 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -64.1 | -41.2 | -179.9 | 170.9 | 0 | 0 | 0 | 0 | 111.3 | L477 L482 M485 L545 T546 C551 Y552 Q553 L611 | L477-V549 HydrophobicContact CD2-CB 4.37Å; L477-V549 HydrophobicContact CD2-CG1 4.04Å; L482-V549 HydrophobicContact CD1-CB 4.39Å; L482-V549 HydrophobicContact CD1-CG1 4.07Å; L482-V549 HydrophobicContact CD1-CG2 3.47Å; L482-V549 VanDerWaalsContact CD1-CG2 3.47Å; M485-V549 HydrophobicContact SD-CG1 4.31Å; L545-V549 HydrophobicContact CD1-CG2 4.07Å; L545-V549 HydrophobicContact CG-CG2 4.4Å; L545-V549 WeakPolarHBondContact O-CB 3.44Å; L545-V549 WeakPolarHBondContact O-CG2 3.35Å; L545-V549 PolarHBondContact O-N 2.88Å; T546-V549 PolarHBondContact O-N 3.46Å; V549-C551 VanDerWaalsContact C-N 3.33Å; V549-C551 PolarHBondContact O-N 3.03Å; V549-Y552 WeakPolarHBondContact O-CB 3.39Å; V549-Y552 PolarHBondContact O-N 3.46Å; V549-Q553 WeakPolarHBondContact O-CG 3.41Å; V549-Q553 PolarHBondContact O-N 3.28Å; V549-L611 HydrophobicContact CG2-CD1 4.39Å; V549-L611 HydrophobicContact CG2-CD2 3.92Å |
| 550 | M | 88.2 | Confident | 88.3 | Confident | 67 Ų | 67 | 47.3 Ų | 47.3 | 33% | 0.33 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -63.5 | -41.2 | 176.1 | -67.1 | -66.1 | 156.7 | 0 | 0 | 111.3 | L477 T546 E547 E548 Q553 Q554 | L477-M550 HydrophobicContact CD1-CE 4.09Å; T546-M550 HydrophobicContact CG2-CE 4.49Å; T546-M550 HydrophobicContact CG2-CG 4.5Å; T546-M550 WeakPolarHBondContact O-CG 3.44Å; T546-M550 PolarHBondContact O-N 3.34Å; E547-M550 PolarHBondContact O-N 3.19Å; E548-M550 PolarHBondContact O-N 3.09Å; M550-Q553 PolarHBondContact O-N 3.13Å; M550-Q554 VanDerWaalsContact O-CG 3.32Å; M550-Q554 WeakPolarHBondContact O-CG 3.41Å; M550-Q554 PolarHBondContact O-N 3.02Å |
| 551 | C | 91.2 | Very high | 88.3 | Confident | 14 Ų | 14 | 42.9 Ų | 42.9 | 10% | 0.095 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.2 | -41.8 | 174.5 | -172.2 | 0 | 0 | 0 | 0 | 111.8 | E547 E548 V549 Q554 S555 L573 W607 | E547-C551 WeakPolarHBondContact O-CB 3.19Å; E547-C551 PolarHBondContact O-N 3.38Å; E548-C551 WeakPolarHBondContact O-CB 3.15Å; E548-C551 PolarHBondContact O-N 2.91Å; V549-C551 VanDerWaalsContact C-N 3.33Å; V549-C551 PolarHBondContact O-N 3.03Å; C551-Q554 PolarHBondContact O-N 3.45Å; C551-S555 WeakPolarHBondContact O-CB 3.42Å; C551-S555 PolarHBondContact O-N 2.99Å; C551-S555 PolarHBondContact O-OG 3.25Å; C551-L573 HydrophobicContact CB-CD1 4.07Å; C551-L573 HydrophobicContact CB-CD2 3.85Å; C551-W607 HydrophobicContact CB-CH2 4.22Å; C551-W607 HydrophobicContact CB-CZ2 4.42Å |
| 552 | Y | 91.3 | Very high | 88.4 | Confident | 14 Ų | 14 | 47.4 Ų | 47.4 | 6% | 0.055 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -59.2 | -48.7 | 175 | 172.5 | -107.6 | 0 | 0 | 0 | 111.8 | E548 V549 Q554 S555 Q556 L604 W607 R608 L611 | E548-Y552 PolarHBondContact O-N 3.36Å; V549-Y552 WeakPolarHBondContact O-CB 3.39Å; V549-Y552 PolarHBondContact O-N 3.46Å; Y552-Q554 PolarHBondContact O-N 3.02Å; Y552-S555 WeakPolarHBondContact O-CB 3.39Å; Y552-S555 PolarHBondContact O-N 3.48Å; Y552-S555 VanDerWaalsContact O-N 3.1Å; Y552-Q556 HydrophobicContact CD1-CG 4.5Å; Y552-Q556 VanDerWaalsContact CE1-CD 3.46Å; Y552-Q556 HydrophobicContact CE1-CG 4.07Å; Y552-Q556 HydrophobicContact CE2-CG 4.14Å; Y552-Q556 WeakPolarHBondContact O-CG 3.35Å; Y552-Q556 PolarHBondContact O-N 3.02Å; Y552-Q556 PolarHBondContact OH-NE2 3.29Å; Y552-L604 HydrophobicContact CD2-CD2 4.42Å; Y552-L604 HydrophobicContact CE2-CB 4.43Å; Y552-L604 HydrophobicContact CE2-CD2 4.22Å; Y552-L604 WeakPolarHBondContact CE2-O 3.2Å; Y552-W607 HydrophobicContact CD2-CB 4.19Å; Y552-W607 AromaticContact CD2-CD2 3.59Å; Y552-W607 HydrophobicContact CD2-CD2 3.59Å; Y552-W607 AromaticContact CD2-CE3 3.69Å; Y552-W607 HydrophobicContact CD2-CE3 3.69Å; Y552-W607 AromaticContact CD2-CG 3.82Å; Y552-W607 HydrophobicContact CD2-CG 3.82Å; Y552-W607 HydrophobicContact CD2-CZ3 4.29Å; Y552-W607 HydrophobicContact CE2-CB 4.25Å; Y552-W607 HydrophobicContact CE2-CD2 4.46Å; Y552-W607 HydrophobicContact CE2-CG 4.36Å; Y552-W607 HydrophobicContact CG-CD2 4.34Å; Y552-R608 HydrophobicContact CE2-CB 4.33Å; Y552-R608 WeakPolarHBondContact OH-CB 3.47Å; Y552-L611 HydrophobicContact CD1-CD1 3.62Å; Y552-L611 HydrophobicContact CD2-CD1 4.14Å; Y552-L611 HydrophobicContact CE1-CD1 4.25Å; Y552-L611 HydrophobicContact CG-CD1 3.55Å |
| 553 | Q | 86.1 | Confident | 88.4 | Confident | 50 Ų | 50 | 45.2 Ų | 45.2 | 23% | 0.234 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -60.8 | -43.6 | 178.4 | -75 | -174.3 | -24.8 | 0 | 0 | 112.4 | M485 V549 M550 S555 Q556 | M485-Q553 PolarHBondContact SD-NE2 3.16Å; V549-Q553 WeakPolarHBondContact O-CG 3.41Å; V549-Q553 PolarHBondContact O-N 3.28Å; M550-Q553 PolarHBondContact O-N 3.13Å; Q553-S555 VanDerWaalsContact C-N 3.28Å; Q553-S555 PolarHBondContact O-N 2.67Å; Q553-Q556 PolarHBondContact O-N 3.24Å |
| 554 | Q | 86.5 | Confident | 88.5 | Confident | 126 Ų | 126 | 44.4 Ų | 44.4 | 59% | 0.589 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -62 | -39.5 | 174.4 | -71 | 175.2 | 14.3 | 0 | 0 | 111.5 | M550 C551 Y552 Q556 L557 | M550-Q554 VanDerWaalsContact O-CG 3.32Å; M550-Q554 WeakPolarHBondContact O-CG 3.41Å; M550-Q554 PolarHBondContact O-N 3.02Å; C551-Q554 PolarHBondContact O-N 3.45Å; Y552-Q554 PolarHBondContact O-N 3.02Å; Q554-Q556 VanDerWaalsContact C-N 3.35Å; Q554-Q556 PolarHBondContact O-N 2.95Å; Q554-L557 WeakPolarHBondContact O-CB 3.44Å; Q554-L557 PolarHBondContact O-N 2.74Å |
| 555 | S | 90 | Very high | 88.6 | Confident | 1 Ų | 1 | 45 Ų | 45 | 1% | 0.007 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -66.8 | -34 | 179.5 | -59.5 | 0 | 0 | 0 | 0 | 112.8 | C551 Y552 Q553 L557 L558 I570 | C551-S555 WeakPolarHBondContact O-CB 3.42Å; C551-S555 PolarHBondContact O-N 2.99Å; C551-S555 PolarHBondContact O-OG 3.25Å; Y552-S555 WeakPolarHBondContact O-CB 3.39Å; Y552-S555 PolarHBondContact O-N 3.48Å; Y552-S555 VanDerWaalsContact O-N 3.1Å; Q553-S555 VanDerWaalsContact C-N 3.28Å; Q553-S555 PolarHBondContact O-N 2.67Å; S555-L557 PolarHBondContact O-N 2.85Å; S555-L558 WeakPolarHBondContact O-CB 3.49Å; S555-L558 PolarHBondContact O-N 3.31Å; S555-I570 WeakPolarHBondContact OG-CD1 3.43Å |
| 556 | Q | 85.3 | Confident | 88.7 | Confident | 50 Ų | 50 | 47.9 Ų | 47.9 | 23% | 0.234 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.9 | -27.6 | 174.9 | -71 | -178.6 | -46.6 | 0 | 0 | 112.9 | Y552 Q553 Q554 | Y552-Q556 HydrophobicContact CD1-CG 4.5Å; Y552-Q556 VanDerWaalsContact CE1-CD 3.46Å; Y552-Q556 HydrophobicContact CE1-CG 4.07Å; Y552-Q556 HydrophobicContact CE2-CG 4.14Å; Y552-Q556 WeakPolarHBondContact O-CG 3.35Å; Y552-Q556 PolarHBondContact O-N 3.02Å; Y552-Q556 PolarHBondContact OH-NE2 3.29Å; Q553-Q556 PolarHBondContact O-N 3.24Å; Q554-Q556 VanDerWaalsContact C-N 3.35Å; Q554-Q556 PolarHBondContact O-N 2.95Å |
| 557 | L | 82.9 | Confident | 88.8 | Confident | 46 Ų | 46 | 47.3 Ų | 47.3 | 24% | 0.241 | 25% | 0.248 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.8 | -14.7 | -179.5 | -67.1 | 172.2 | 0 | 0 | 0 | 113.7 | H461 Q554 S555 | H461-L557 HydrophobicContact CB-CD2 3.68Å; H461-L557 WeakPolarHBondContact CD2-CD2 3.33Å; Q554-L557 WeakPolarHBondContact O-CB 3.44Å; Q554-L557 PolarHBondContact O-N 2.74Å; S555-L557 PolarHBondContact O-N 2.85Å |
| 558 | L | 86 | Confident | 88.9 | Confident | 17 Ų | 17 | 47.8 Ų | 47.8 | 9% | 0.089 | 26% | 0.258 | C | S | . | . | trans | -74.4 | 140.3 | -176.2 | -56.8 | 176.6 | 0 | 0 | 0 | 110.9 | S555 Q562 F563 Q566 I570 H600 | S555-L558 WeakPolarHBondContact O-CB 3.49Å; S555-L558 PolarHBondContact O-N 3.31Å; L558-Q562 HydrophobicContact CB-CB 4.16Å; L558-Q562 HydrophobicContact CD2-CB 4.2Å; L558-F563 HydrophobicContact CB-CB 4.09Å; L558-F563 HydrophobicContact CD1-CB 4.39Å; L558-F563 HydrophobicContact CD1-CD2 4.31Å; L558-Q566 HydrophobicContact CD1-CB 4.15Å; L558-Q566 HydrophobicContact CD1-CG 4.31Å; L558-I570 HydrophobicContact CD1-CD1 4.48Å; L558-H600 PolarHBondContact O-CE1 3.22Å | ||
| 559 | S | 83.7 | Confident | 88.9 | Confident | 37 Ų | 37 | 54.6 Ų | 54.6 | 26% | 0.259 | 29% | 0.29 | S | S | . | . | trans | -70.3 | 157.6 | 161.2 | 63.1 | 0 | 0 | 0 | 0 | 110.3 | P561 Q562 F563 | S559-P561 VanDerWaalsContact C-N 3.34Å; S559-Q562 PolarHBondContact O-N 2.87Å; S559-Q562 VanDerWaalsContact OG-CG 3.29Å; S559-Q562 WeakPolarHBondContact OG-CG 3.32Å; S559-Q562 PolarHBondContact OG-OE1 3.45Å; S559-F563 WeakPolarHBondContact O-CB 3.4Å; S559-F563 PolarHBondContact O-N 2.92Å | ||
| 560 | T | 81.8 | Confident | 89.1 | Confident | 26 Ų | 26 | 54.8 Ų | 54.8 | 16% | 0.16 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -51.4 | -44.4 | 179.1 | -53.6 | 0 | 0 | 0 | 0 | 113.6 | Q562 F563 I564 H600 | T560-Q562 PolarHBondContact O-N 3.24Å; T560-F563 PolarHBondContact O-N 3.15Å; T560-I564 HydrophobicContact CG2-CD1 4.18Å; T560-I564 VanDerWaalsContact O-CG1 3.25Å; T560-I564 WeakPolarHBondContact O-CG1 3.47Å; T560-I564 PolarHBondContact O-N 2.77Å; T560-H600 HydrophobicContact CG2-CB 4.23Å; T560-H600 PolarHBondContact OG1-ND1 3.1Å; T560-H600 VanDerWaalsContact OG1-ND1 3.16Å |
| 561 | P | 88 | Confident | 89.4 | Confident | 91 Ų | 91 | 52.4 Ų | 52.4 | 59% | 0.591 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -63.4 | -40.5 | 175.1 | -23.1 | 35.1 | 0 | 0 | 0 | 113.7 | S559 I564 V565 | S559-P561 VanDerWaalsContact C-N 3.34Å; P561-I564 PolarHBondContact O-N 2.85Å; P561-V565 WeakPolarHBondContact O-CG2 3.36Å; P561-V565 PolarHBondContact O-N 2.74Å |
| 562 | Q | 89.6 | Confident | 89.6 | Confident | 102 Ų | 102 | 56.4 Ų | 56.4 | 48% | 0.477 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -67.4 | -39.5 | 177.2 | -71.2 | 166.3 | -34.7 | 0 | 0 | 111.6 | L558 S559 T560 I564 V565 Q566 | L558-Q562 HydrophobicContact CB-CB 4.16Å; L558-Q562 HydrophobicContact CD2-CB 4.2Å; S559-Q562 PolarHBondContact O-N 2.87Å; S559-Q562 VanDerWaalsContact OG-CG 3.29Å; S559-Q562 WeakPolarHBondContact OG-CG 3.32Å; S559-Q562 PolarHBondContact OG-OE1 3.45Å; T560-Q562 PolarHBondContact O-N 3.24Å; Q562-I564 VanDerWaalsContact C-N 3.35Å; Q562-V565 PolarHBondContact O-N 2.89Å; Q562-Q566 PolarHBondContact O-N 2.82Å |
| 563 | F | 90.9 | Very high | 89.7 | Confident | 2 Ų | 2 | 57 Ų | 57 | 1% | 0.009 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -59.9 | -45.3 | 175.1 | 178.4 | -99.2 | 0 | 0 | 0 | 110.9 | L558 S559 T560 V565 Q566 L567 I570 H600 F603 | L558-F563 HydrophobicContact CB-CB 4.09Å; L558-F563 HydrophobicContact CD1-CB 4.39Å; L558-F563 HydrophobicContact CD1-CD2 4.31Å; S559-F563 WeakPolarHBondContact O-CB 3.4Å; S559-F563 PolarHBondContact O-N 2.92Å; T560-F563 PolarHBondContact O-N 3.15Å; F563-V565 VanDerWaalsContact C-N 3.28Å; F563-V565 PolarHBondContact O-N 3.39Å; F563-Q566 PolarHBondContact O-N 3.32Å; F563-Q566 VanDerWaalsContact O-N 3.16Å; F563-L567 HydrophobicContact CE1-CD1 3.94Å; F563-L567 HydrophobicContact CE1-CD2 4.45Å; F563-L567 HydrophobicContact CZ-CD1 3.73Å; F563-L567 WeakPolarHBondContact O-CA 3.36Å; F563-L567 VanDerWaalsContact O-CB 3.3Å; F563-L567 WeakPolarHBondContact O-CB 3.37Å; F563-L567 PolarHBondContact O-N 2.76Å; F563-I570 HydrophobicContact CD2-CD1 4.06Å; F563-I570 HydrophobicContact CE2-CD1 3.87Å; F563-H600 HydrophobicContact CD1-CB 4.27Å; F563-H600 AromaticContact CD1-CD2 3.5Å; F563-H600 AromaticContact CD1-CG 3.86Å; F563-H600 AromaticContact CD2-CD2 3.67Å; F563-H600 AromaticContact CD2-NE2 3.52Å; F563-H600 AromaticContact CE1-CD2 3.78Å; F563-H600 AromaticContact CE2-CD2 3.95Å; F563-H600 AromaticContact CG-CD2 3.44Å; F563-H600 VanDerWaalsContact CG-CD2 3.44Å; F563-H600 WeakPolarHBondContact CG-CD2 3.39Å; F563-H600 AromaticContact CG-NE2 3.44Å; F563-H600 WeakPolarHBondContact CG-NE2 3.34Å; F563-F603 HydrophobicContact CE2-CD1 4.19Å; F563-F603 HydrophobicContact CE2-CE1 4.35Å; F563-F603 HydrophobicContact CZ-CB 4.38Å; F563-F603 AromaticContact CZ-CD1 3.62Å; F563-F603 HydrophobicContact CZ-CD1 3.62Å; F563-F603 HydrophobicContact CZ-CD2 4.39Å; F563-F603 AromaticContact CZ-CE1 3.93Å; F563-F603 HydrophobicContact CZ-CE1 3.93Å; F563-F603 AromaticContact CZ-CG 3.89Å; F563-F603 HydrophobicContact CZ-CG 3.89Å; F563-F603 HydrophobicContact CZ-CZ 4.43Å |
| 564 | I | 90.6 | Very high | 90.1 | Very high | 75 Ų | 75 | 54.7 Ų | 54.7 | 39% | 0.385 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -57.5 | -41.8 | 176.2 | -69 | 164.9 | 0 | 0 | 0 | 111.5 | T560 P561 Q562 I595 | T560-I564 HydrophobicContact CG2-CD1 4.18Å; T560-I564 VanDerWaalsContact O-CG1 3.25Å; T560-I564 WeakPolarHBondContact O-CG1 3.47Å; T560-I564 PolarHBondContact O-N 2.77Å; P561-I564 PolarHBondContact O-N 2.85Å; Q562-I564 VanDerWaalsContact C-N 3.35Å; I564-I595 HydrophobicContact CD1-CB 4.21Å; I564-I595 HydrophobicContact CG1-CB 3.96Å; I564-I595 HydrophobicContact CG1-CG2 4.17Å |
| 565 | V | 92.5 | Very high | 90.5 | Very high | 114 Ų | 114 | 54.2 Ų | 54.2 | 69% | 0.691 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -66.5 | -39.1 | 178.6 | 173.5 | 0 | 0 | 0 | 0 | 111.8 | P561 Q562 F563 | P561-V565 WeakPolarHBondContact O-CG2 3.36Å; P561-V565 PolarHBondContact O-N 2.74Å; Q562-V565 PolarHBondContact O-N 2.89Å; F563-V565 VanDerWaalsContact C-N 3.28Å; F563-V565 PolarHBondContact O-N 3.39Å |
| 566 | Q | 92.6 | Very high | 90.8 | Very high | 72 Ų | 72 | 60.4 Ų | 60.4 | 34% | 0.336 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -85.9 | -16.6 | -178.7 | -66.6 | -169.7 | 12.3 | 0 | 0 | 113.9 | L558 Q562 F563 P568 Q569 I570 | L558-Q566 HydrophobicContact CD1-CB 4.15Å; L558-Q566 HydrophobicContact CD1-CG 4.31Å; Q562-Q566 PolarHBondContact O-N 2.82Å; F563-Q566 PolarHBondContact O-N 3.32Å; F563-Q566 VanDerWaalsContact O-N 3.16Å; Q566-P568 VanDerWaalsContact C-CD 3.46Å; Q566-Q569 WeakPolarHBondContact O-CA 3.43Å; Q566-Q569 WeakPolarHBondContact O-CB 3.39Å; Q566-Q569 PolarHBondContact O-N 3.15Å; Q566-I570 HydrophobicContact CB-CD1 4.1Å; Q566-I570 HydrophobicContact CB-CG1 4.47Å; Q566-I570 PolarHBondContact O-N 2.84Å |
| 567 | L | 92.6 | Very high | 91.1 | Very high | 8 Ų | 8 | 59 Ų | 59 | 4% | 0.042 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -52.8 | -42.5 | -173.3 | 179.3 | 66 | 0 | 0 | 0 | 114.8 | F563 Q569 I570 L571 V589 I595 F603 | F563-L567 HydrophobicContact CE1-CD1 3.94Å; F563-L567 HydrophobicContact CE1-CD2 4.45Å; F563-L567 HydrophobicContact CZ-CD1 3.73Å; F563-L567 WeakPolarHBondContact O-CA 3.36Å; F563-L567 VanDerWaalsContact O-CB 3.3Å; F563-L567 WeakPolarHBondContact O-CB 3.37Å; F563-L567 PolarHBondContact O-N 2.76Å; L567-Q569 VanDerWaalsContact C-N 3.26Å; L567-Q569 PolarHBondContact O-N 2.91Å; L567-I570 PolarHBondContact O-N 2.84Å; L567-L571 HydrophobicContact CD1-CD1 4.26Å; L567-L571 HydrophobicContact CD1-CD2 4.42Å; L567-L571 HydrophobicContact CD1-CG 3.99Å; L567-L571 HydrophobicContact CG-CD1 4.11Å; L567-L571 HydrophobicContact CG-CG 4.27Å; L567-L571 WeakPolarHBondContact O-CG 3.37Å; L567-L571 PolarHBondContact O-N 2.86Å; L567-V589 HydrophobicContact CD1-CG2 4.24Å; L567-V589 HydrophobicContact CD2-CG1 3.93Å; L567-V589 HydrophobicContact CD2-CG2 3.82Å; L567-V589 HydrophobicContact CG-CG2 4.44Å; L567-I595 HydrophobicContact CD2-CD1 2.98Å; L567-I595 HydrophobicContact CD2-CG1 4.48Å; L567-I595 HydrophobicContact CG-CD1 4.45Å; L567-F603 HydrophobicContact CD1-CE2 4.07Å; L567-F603 HydrophobicContact CD1-CZ 4.09Å |
| 568 | P | 92.9 | Very high | 91.6 | Very high | 87 Ų | 87 | 63.5 Ų | 63.5 | 57% | 0.565 | 33% | 0.332 | S | S | * | . | H | α-helix | trans | -59 | -38.4 | 176.7 | -24.5 | 35.3 | 0 | 0 | 0 | 112.7 | Q566 D572 | Q566-P568 VanDerWaalsContact C-CD 3.46Å; P568-D572 WeakPolarHBondContact O-CB 3.34Å; P568-D572 PolarHBondContact O-N 2.74Å; P568-D572 VanDerWaalsContact O-N 3.11Å |
| 569 | Q | 93.8 | Very high | 91.9 | Very high | 146 Ų | 146 | 63 Ų | 63 | 68% | 0.682 | 33% | 0.33 | S | S | * | . | H | α-helix | trans | -71.3 | -38.3 | 177.4 | -62 | 176 | -3.8 | 0 | 0 | 111.4 | Q566 L567 D572 L573 | Q566-Q569 WeakPolarHBondContact O-CA 3.43Å; Q566-Q569 WeakPolarHBondContact O-CB 3.39Å; Q566-Q569 PolarHBondContact O-N 3.15Å; L567-Q569 VanDerWaalsContact C-N 3.26Å; L567-Q569 PolarHBondContact O-N 2.91Å; Q569-D572 PolarHBondContact O-N 2.92Å; Q569-L573 WeakPolarHBondContact O-CB 3.4Å; Q569-L573 PolarHBondContact O-N 2.74Å |
| 570 | I | 94.7 | Very high | 92.2 | Very high | 5 Ų | 5 | 65.2 Ų | 65.2 | 3% | 0.026 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.7 | -46.9 | 175.3 | -65 | 167.9 | 0 | 0 | 0 | 110.3 | S555 L558 F563 Q566 L567 D572 L573 L574 F603 W607 | S555-I570 WeakPolarHBondContact OG-CD1 3.43Å; L558-I570 HydrophobicContact CD1-CD1 4.48Å; F563-I570 HydrophobicContact CD2-CD1 4.06Å; F563-I570 HydrophobicContact CE2-CD1 3.87Å; Q566-I570 HydrophobicContact CB-CD1 4.1Å; Q566-I570 HydrophobicContact CB-CG1 4.47Å; Q566-I570 PolarHBondContact O-N 2.84Å; L567-I570 PolarHBondContact O-N 2.84Å; I570-D572 VanDerWaalsContact C-N 3.35Å; I570-D572 PolarHBondContact O-N 3.04Å; I570-L573 PolarHBondContact O-N 2.84Å; I570-L574 HydrophobicContact CG2-CD1 4.14Å; I570-L574 HydrophobicContact CG2-CG 4.49Å; I570-L574 WeakPolarHBondContact O-CG 3.43Å; I570-L574 PolarHBondContact O-N 3.47Å; I570-F603 HydrophobicContact CG2-CE1 4.47Å; I570-W607 HydrophobicContact CG2-CH2 3.77Å; I570-W607 HydrophobicContact CG2-CZ3 3.74Å |
| 571 | L | 94.6 | Very high | 92.7 | Very high | 17 Ų | 17 | 64.1 Ų | 64.1 | 9% | 0.089 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -65 | -36.9 | 179 | -69.9 | 175.6 | 0 | 0 | 0 | 112.8 | L567 H575 A585 V589 F603 | L567-L571 HydrophobicContact CD1-CD1 4.26Å; L567-L571 HydrophobicContact CD1-CD2 4.42Å; L567-L571 HydrophobicContact CD1-CG 3.99Å; L567-L571 HydrophobicContact CG-CD1 4.11Å; L567-L571 HydrophobicContact CG-CG 4.27Å; L567-L571 WeakPolarHBondContact O-CG 3.37Å; L567-L571 PolarHBondContact O-N 2.86Å; L571-H575 WeakPolarHBondContact O-CB 3.31Å; L571-H575 PolarHBondContact O-N 2.9Å; L571-H575 VanDerWaalsContact O-N 3.14Å; L571-A585 HydrophobicContact CD2-CB 3.74Å; L571-V589 HydrophobicContact CD1-CB 4.39Å; L571-V589 HydrophobicContact CD1-CG1 4.35Å; L571-V589 HydrophobicContact CD1-CG2 4.26Å; L571-F603 HydrophobicContact CD2-CE2 4.21Å; L571-F603 HydrophobicContact CD2-CZ 4.21Å |
| 572 | D | 94.3 | Very high | 92.9 | Very high | 99 Ų | 99 | 60.2 Ų | 60.2 | 53% | 0.529 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.2 | -43.3 | 175.5 | -169.9 | 61.8 | 0 | 0 | 0 | 111.6 | P568 Q569 I570 H575 R576 | P568-D572 WeakPolarHBondContact O-CB 3.34Å; P568-D572 PolarHBondContact O-N 2.74Å; P568-D572 VanDerWaalsContact O-N 3.11Å; Q569-D572 PolarHBondContact O-N 2.92Å; I570-D572 VanDerWaalsContact C-N 3.35Å; I570-D572 PolarHBondContact O-N 3.04Å; D572-H575 PolarHBondContact O-N 3.17Å; D572-R576 WeakPolarHBondContact O-CB 3.46Å; D572-R576 PolarHBondContact O-N 3.21Å |
| 573 | L | 94.6 | Very high | 92.7 | Very high | 27 Ų | 27 | 62.1 Ų | 62.1 | 14% | 0.141 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.1 | -48.9 | 174.5 | -179 | 151.1 | 0 | 0 | 0 | 111.5 | C551 Q569 I570 H575 R576 L577 | C551-L573 HydrophobicContact CB-CD1 4.07Å; C551-L573 HydrophobicContact CB-CD2 3.85Å; Q569-L573 WeakPolarHBondContact O-CB 3.4Å; Q569-L573 PolarHBondContact O-N 2.74Å; I570-L573 PolarHBondContact O-N 2.84Å; L573-H575 VanDerWaalsContact C-N 3.27Å; L573-H575 PolarHBondContact O-N 2.79Å; L573-R576 PolarHBondContact O-N 2.81Å; L573-L577 HydrophobicContact CD2-CD1 3.41Å; L573-L577 VanDerWaalsContact CD2-CD1 3.41Å; L573-L577 HydrophobicContact CD2-CG 4.25Å; L573-L577 HydrophobicContact CG-CD1 4.03Å; L573-L577 WeakPolarHBondContact O-CG 3.44Å; L573-L577 PolarHBondContact O-N 3.34Å |
| 574 | L | 95 | Very high | 92.5 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -58.7 | -40 | 178.4 | -74 | 175.3 | 0 | 0 | 0 | 112.2 | E548 I570 N578 S579 A582 A585 F603 W607 | E548-L574 HydrophobicContact CG-CD2 3.9Å; I570-L574 HydrophobicContact CG2-CD1 4.14Å; I570-L574 HydrophobicContact CG2-CG 4.49Å; I570-L574 WeakPolarHBondContact O-CG 3.43Å; I570-L574 PolarHBondContact O-N 3.47Å; L574-N578 PolarHBondContact O-N 2.89Å; L574-S579 PolarHBondContact O-N 3.24Å; L574-A582 HydrophobicContact CB-CB 3.94Å; L574-A585 HydrophobicContact CD1-CB 4.28Å; L574-F603 HydrophobicContact CD1-CZ 4.32Å; L574-W607 HydrophobicContact CD1-CZ2 4.45Å; L574-W607 HydrophobicContact CD2-CH2 4.45Å; L574-W607 HydrophobicContact CD2-CZ2 3.61Å; L574-W607 HydrophobicContact CG-CZ2 4.28Å |
| 575 | H | 94.3 | Very high | 92.4 | Very high | 117 Ų | 117 | 63.4 Ų | 63.4 | 54% | 0.542 | 33% | 0.325 | S | S | . | . | H | α-helix | trans | -68.3 | -45.4 | 177.4 | -171.6 | 60 | 0 | 0 | 0 | 111.9 | L571 D572 L573 L577 N578 | L571-H575 WeakPolarHBondContact O-CB 3.31Å; L571-H575 PolarHBondContact O-N 2.9Å; L571-H575 VanDerWaalsContact O-N 3.14Å; D572-H575 PolarHBondContact O-N 3.17Å; L573-H575 VanDerWaalsContact C-N 3.27Å; L573-H575 PolarHBondContact O-N 2.79Å; H575-L577 VanDerWaalsContact C-N 3.27Å; H575-L577 PolarHBondContact O-N 3.39Å; H575-N578 PolarHBondContact O-N 2.92Å |
| 576 | R | 95.6 | Very high | 92.3 | Very high | 130 Ų | 130 | 63.1 Ų | 63.1 | 49% | 0.491 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -59.2 | -37.3 | 176.8 | 174.7 | 175.6 | 52 | 88.3 | -2.7 | 112.6 | E547 D572 L573 N578 | E547-R576 IonicContact OE1-CZ 3.96Å; E547-R576 VanDerWaalsContact OE1-CZ 3.27Å; E547-R576 IonicContact OE1-NH1 2.78Å; E547-R576 PolarHBondContact OE1-NH1 3.4Å; E547-R576 IonicContact OE1-NH2 3.49Å; E547-R576 PolarHBondContact OE1-NH2 2.85Å; E547-R576 IonicContact OE2-NH1 3.37Å; E547-R576 PolarHBondContact OE2-NH1 2.99Å; D572-R576 WeakPolarHBondContact O-CB 3.46Å; D572-R576 PolarHBondContact O-N 3.21Å; L573-R576 PolarHBondContact O-N 2.81Å; R576-N578 VanDerWaalsContact C-N 3.25Å; R576-N578 PolarHBondContact O-N 3.27Å |
| 577 | L | 92.9 | Very high | 92.1 | Very high | 21 Ų | 21 | 65 Ų | 65 | 11% | 0.11 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.2 | 0 | 178.5 | -63.8 | -179.6 | 0 | 0 | 0 | 113.7 | E544 E547 E548 L573 H575 S579 | E544-L577 HydrophobicContact CB-CD2 4.24Å; E547-L577 HydrophobicContact CB-CD1 3.93Å; E547-L577 HydrophobicContact CB-CD2 4.34Å; E547-L577 HydrophobicContact CG-CD1 4.08Å; E548-L577 HydrophobicContact CB-CD1 3.94Å; L573-L577 HydrophobicContact CD2-CD1 3.41Å; L573-L577 VanDerWaalsContact CD2-CD1 3.41Å; L573-L577 HydrophobicContact CD2-CG 4.25Å; L573-L577 HydrophobicContact CG-CD1 4.03Å; L573-L577 WeakPolarHBondContact O-CG 3.44Å; L573-L577 PolarHBondContact O-N 3.34Å; H575-L577 VanDerWaalsContact C-N 3.27Å; H575-L577 PolarHBondContact O-N 3.39Å; L577-S579 PolarHBondContact O-N 3.41Å |
| 578 | N | 92 | Very high | 91.6 | Very high | 141 Ų | 141 | 65.8 Ų | 65.8 | 75% | 0.754 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 52.9 | 36.1 | -172.9 | -59.7 | -53.1 | 0 | 0 | 0 | 113.2 | L574 H575 R576 | L574-N578 PolarHBondContact O-N 2.89Å; H575-N578 PolarHBondContact O-N 2.92Å; R576-N578 VanDerWaalsContact C-N 3.25Å; R576-N578 PolarHBondContact O-N 3.27Å |
| 579 | S | 92 | Very high | 91.4 | Very high | 7 Ų | 7 | 63 Ų | 63 | 5% | 0.049 | 31% | 0.306 | C | S | . | . | trans | -60.1 | 135 | 178.8 | 169 | 0 | 0 | 0 | 0 | 110.5 | E548 L574 L577 W581 A582 | E548-S579 VanDerWaalsContact CD-OG 3.28Å; E548-S579 WeakPolarHBondContact OE1-CB 3.45Å; E548-S579 PolarHBondContact OE1-OG 3.49Å; E548-S579 WeakPolarHBondContact OE2-CB 3.18Å; E548-S579 PolarHBondContact OE2-OG 3.46Å; L574-S579 PolarHBondContact O-N 3.24Å; L577-S579 PolarHBondContact O-N 3.41Å; S579-W581 PolarHBondContact O-N 2.92Å; S579-W581 PolarHBondContact OG-N 2.82Å; S579-W581 VanDerWaalsContact OG-N 3.13Å; S579-A582 WeakPolarHBondContact O-CB 3.31Å; S579-A582 PolarHBondContact O-N 3.32Å | ||
| 580 | P | 90.3 | Very high | 91.1 | Very high | 82 Ų | 82 | 61.9 Ų | 61.9 | 53% | 0.532 | 30% | 0.304 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.5 | -22.2 | 172 | -23.6 | 33.5 | 0 | 0 | 0 | 113.5 | Q614 | P580-Q614 HydrophobicContact CG-CG 4.06Š|
| 581 | W | 92.5 | Very high | 90.6 | Very high | 3 Ų | 3 | 65.5 Ų | 65.5 | 1% | 0.011 | 34% | 0.335 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.5 | -18.9 | 176.6 | -178.6 | -129.4 | 0 | 0 | 0 | 113.2 | S579 E583 Q584 A585 L588 F603 R606 W607 | S579-W581 PolarHBondContact O-N 2.92Å; S579-W581 PolarHBondContact OG-N 2.82Å; S579-W581 VanDerWaalsContact OG-N 3.13Å; W581-E583 PolarHBondContact O-N 3.3Å; W581-Q584 HydrophobicContact CE3-CB 3.65Å; W581-Q584 HydrophobicContact CH2-CB 4.15Å; W581-Q584 HydrophobicContact CZ3-CB 3.35Å; W581-Q584 HydrophobicContact CZ3-CG 4.41Å; W581-Q584 PolarHBondContact O-N 3.28Å; W581-A585 HydrophobicContact CD2-CB 4.1Å; W581-A585 HydrophobicContact CG-CB 4.23Å; W581-A585 HydrophobicContact CZ2-CB 4.01Å; W581-A585 WeakPolarHBondContact O-CB 3.28Å; W581-A585 PolarHBondContact O-N 3.32Å; W581-L588 HydrophobicContact CH2-CD2 4.18Å; W581-L588 HydrophobicContact CZ2-CD2 4.2Å; W581-F603 HydrophobicContact CZ2-CD2 4.22Å; W581-F603 HydrophobicContact CZ2-CE2 4.42Å; W581-F603 HydrophobicContact CZ2-CG 4.44Å; W581-F603 AromaticContact NE1-CE1 3.73Å; W581-F603 AromaticContact NE1-CZ 3.74Å; W581-R606 HydrophobicContact CD2-CB 4.47Å; W581-R606 HydrophobicContact CE3-CB 4.12Å; W581-R606 HydrophobicContact CH2-CB 3.33Å; W581-R606 VanDerWaalsContact CH2-CD 3.41Å; W581-R606 HydrophobicContact CH2-CG 4.03Å; W581-R606 HydrophobicContact CZ2-CB 3.66Å; W581-R606 HydrophobicContact CZ3-CB 3.55Å; W581-R606 HydrophobicContact CZ3-CG 4.29Å; W581-W607 AromaticContact CD1-CD1 3.57Å; W581-W607 AromaticContact CD1-CG 3.45Å; W581-W607 VanDerWaalsContact CD1-CG 3.45Å; W581-W607 HydrophobicContact CG-CB 4.3Å; W581-W607 HydrophobicContact CG-CG 4.31Å; W581-W607 AromaticContact NE1-CG 3.84Å |
| 582 | A | 91.9 | Very high | 89.9 | Confident | 10 Ų | 10 | 67.4 Ų | 67.4 | 8% | 0.083 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -58.1 | -45.9 | -168.3 | 0 | 0 | 0 | 0 | 0 | 114.2 | L574 S579 R586 | L574-A582 HydrophobicContact CB-CB 3.94Å; S579-A582 WeakPolarHBondContact O-CB 3.31Å; S579-A582 PolarHBondContact O-N 3.32Å; A582-R586 PolarHBondContact O-N 3.4Å; A582-R586 VanDerWaalsContact O-N 3.14Å |
| 583 | E | 87 | Confident | 89.1 | Confident | 142 Ų | 142 | 68.7 Ų | 68.7 | 66% | 0.664 | 36% | 0.362 | S | S | * | . | H | α-helix | trans | -69 | -46.5 | -178.6 | -169.9 | -176.6 | 175.8 | 0 | 0 | 111.5 | W581 A585 R586 Q587 | W581-E583 PolarHBondContact O-N 3.3Å; E583-A585 VanDerWaalsContact C-N 3.33Å; E583-A585 PolarHBondContact O-N 2.93Å; E583-R586 PolarHBondContact O-N 2.88Å; E583-Q587 WeakPolarHBondContact O-CG 3.43Å; E583-Q587 PolarHBondContact O-N 3.46Å; E583-Q587 PolarHBondContact OE1-NE2 3.27Å |
| 584 | Q | 86.9 | Confident | 88.5 | Confident | 104 Ų | 104 | 72 Ų | 72 | 49% | 0.486 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.2 | -34.5 | 179.1 | -64 | -177.1 | 22.2 | 0 | 0 | 112.1 | W581 Q587 L588 | W581-Q584 HydrophobicContact CE3-CB 3.65Å; W581-Q584 HydrophobicContact CH2-CB 4.15Å; W581-Q584 HydrophobicContact CZ3-CB 3.35Å; W581-Q584 HydrophobicContact CZ3-CG 4.41Å; W581-Q584 PolarHBondContact O-N 3.28Å; Q584-Q587 PolarHBondContact O-N 2.98Å; Q584-L588 VanDerWaalsContact O-CB 3.3Å; Q584-L588 WeakPolarHBondContact O-CB 3.39Å; Q584-L588 PolarHBondContact O-N 2.75Å |
| 585 | A | 87.5 | Confident | 88 | Confident | 0 Ų | 0 | 73.8 Ų | 73.8 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.7 | -47.1 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.1 | L571 L574 W581 E583 L588 V589 F603 | L571-A585 HydrophobicContact CD2-CB 3.74Å; L574-A585 HydrophobicContact CD1-CB 4.28Å; W581-A585 HydrophobicContact CD2-CB 4.1Å; W581-A585 HydrophobicContact CG-CB 4.23Å; W581-A585 HydrophobicContact CZ2-CB 4.01Å; W581-A585 WeakPolarHBondContact O-CB 3.28Å; W581-A585 PolarHBondContact O-N 3.32Å; E583-A585 VanDerWaalsContact C-N 3.33Å; E583-A585 PolarHBondContact O-N 2.93Å; A585-L588 PolarHBondContact O-N 3.44Å; A585-V589 WeakPolarHBondContact O-CG2 3.49Å; A585-V589 PolarHBondContact O-N 3.11Å; A585-V589 VanDerWaalsContact O-N 3.08Å; A585-F603 HydrophobicContact CB-CE2 3.67Å; A585-F603 HydrophobicContact CB-CZ 3.84Å |
| 586 | R | 90.2 | Very high | 87.3 | Confident | 107 Ų | 107 | 71.4 Ų | 71.4 | 40% | 0.404 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -64.1 | -46.2 | 177.9 | -171.9 | 172.5 | -67.3 | -104.7 | 1.3 | 111.4 | A582 E583 L588 V589 D590 | A582-R586 PolarHBondContact O-N 3.4Å; A582-R586 VanDerWaalsContact O-N 3.14Å; E583-R586 PolarHBondContact O-N 2.88Å; R586-L588 VanDerWaalsContact C-N 3.31Å; R586-L588 PolarHBondContact O-N 3.15Å; R586-V589 PolarHBondContact O-N 3.35Å; R586-D590 WeakPolarHBondContact CG-OD2 3.4Å; R586-D590 WeakPolarHBondContact O-CB 3.44Å; R586-D590 VanDerWaalsContact O-CG 3.23Å; R586-D590 PolarHBondContact O-N 2.84Å |
| 587 | Q | 87.7 | Confident | 86.4 | Confident | 113 Ų | 113 | 68.5 Ų | 68.5 | 53% | 0.528 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -59.1 | -40.8 | 174.9 | -70.8 | 176.2 | 7 | 0 | 0 | 112.5 | E583 Q584 V589 A591 | E583-Q587 WeakPolarHBondContact O-CG 3.43Å; E583-Q587 PolarHBondContact O-N 3.46Å; E583-Q587 PolarHBondContact OE1-NE2 3.27Å; Q584-Q587 PolarHBondContact O-N 2.98Å; Q587-V589 VanDerWaalsContact C-N 3.32Å; Q587-V589 PolarHBondContact O-N 2.84Å; Q587-A591 WeakPolarHBondContact O-CB 3.49Å; Q587-A591 PolarHBondContact O-N 2.68Å |
| 588 | L | 83.7 | Confident | 85.4 | Confident | 24 Ų | 24 | 70.8 Ų | 70.8 | 13% | 0.126 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -63.4 | -39.6 | 177.9 | -178.2 | 66.5 | 0 | 0 | 0 | 111.6 | W581 Q584 A585 R586 N592 L599 L602 F603 | W581-L588 HydrophobicContact CH2-CD2 4.18Å; W581-L588 HydrophobicContact CZ2-CD2 4.2Å; Q584-L588 VanDerWaalsContact O-CB 3.3Å; Q584-L588 WeakPolarHBondContact O-CB 3.39Å; Q584-L588 PolarHBondContact O-N 2.75Å; A585-L588 PolarHBondContact O-N 3.44Å; R586-L588 VanDerWaalsContact C-N 3.31Å; R586-L588 PolarHBondContact O-N 3.15Å; L588-N592 PolarHBondContact O-ND2 3.43Å; L588-L599 HydrophobicContact CD1-CD2 4.44Å; L588-L602 HydrophobicContact CD1-CD2 4.22Å; L588-F603 HydrophobicContact CD2-CB 4.28Å; L588-F603 HydrophobicContact CD2-CD2 4.1Å |
| 589 | V | 87.8 | Confident | 84.8 | Confident | 29 Ų | 29 | 65.6 Ų | 65.6 | 18% | 0.176 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -73.2 | -46.7 | 178.2 | 174 | 0 | 0 | 0 | 0 | 110.8 | L567 L571 A585 R586 Q587 A591 N592 I595 F603 | L567-V589 HydrophobicContact CD1-CG2 4.24Å; L567-V589 HydrophobicContact CD2-CG1 3.93Å; L567-V589 HydrophobicContact CD2-CG2 3.82Å; L567-V589 HydrophobicContact CG-CG2 4.44Å; L571-V589 HydrophobicContact CD1-CB 4.39Å; L571-V589 HydrophobicContact CD1-CG1 4.35Å; L571-V589 HydrophobicContact CD1-CG2 4.26Å; A585-V589 WeakPolarHBondContact O-CG2 3.49Å; A585-V589 PolarHBondContact O-N 3.11Å; A585-V589 VanDerWaalsContact O-N 3.08Å; R586-V589 PolarHBondContact O-N 3.35Å; Q587-V589 VanDerWaalsContact C-N 3.32Å; Q587-V589 PolarHBondContact O-N 2.84Å; V589-A591 VanDerWaalsContact C-N 3.29Å; V589-A591 PolarHBondContact O-N 2.71Å; V589-N592 PolarHBondContact O-N 2.66Å; V589-N592 VanDerWaalsContact O-N 3.1Å; V589-I595 HydrophobicContact CG1-CD1 4.38Å; V589-F603 HydrophobicContact CG2-CD2 4.37Å; V589-F603 HydrophobicContact CG2-CE2 4.11Å |
| 590 | D | 87.8 | Confident | 84.4 | Confident | 122 Ų | 122 | 65.5 Ų | 65.5 | 65% | 0.652 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.5 | -32.3 | -178.9 | -67.9 | -17.3 | 0 | 0 | 0 | 112.5 | R586 N592 | R586-D590 WeakPolarHBondContact CG-OD2 3.4Å; R586-D590 WeakPolarHBondContact O-CB 3.44Å; R586-D590 VanDerWaalsContact O-CG 3.23Å; R586-D590 PolarHBondContact O-N 2.84Å; D590-N592 PolarHBondContact O-N 3.05Å |
| 591 | A | 84.4 | Confident | 83.8 | Confident | 80 Ų | 80 | 64.5 Ų | 64.5 | 66% | 0.661 | 37% | 0.371 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | Q587 V589 | Q587-A591 WeakPolarHBondContact O-CB 3.49Å; Q587-A591 PolarHBondContact O-N 2.68Å; V589-A591 VanDerWaalsContact C-N 3.29Å; V589-A591 PolarHBondContact O-N 2.71Å |
| 592 | N | 79.4 | Confident | 83.2 | Confident | 58 Ų | 58 | 67 Ų | 67 | 31% | 0.31 | 38% | 0.384 | S | S | . | . | trans | -126 | 113.6 | -174.7 | -69.5 | -79.6 | 0 | 0 | 0 | 111.2 | L588 V589 D590 T594 L599 | L588-N592 PolarHBondContact O-ND2 3.43Å; V589-N592 PolarHBondContact O-N 2.66Å; V589-N592 VanDerWaalsContact O-N 3.1Å; D590-N592 PolarHBondContact O-N 3.05Å; N592-T594 PolarHBondContact O-N 2.92Å; N592-L599 HydrophobicContact CB-CD1 3.69Å | ||
| 593 | S | 77.7 | Confident | 83 | Confident | 125 Ų | 125 | 66.7 Ų | 66.7 | 87% | 0.874 | 38% | 0.381 | S | S | * | . | S | Bend | trans | -63.6 | -24.5 | -178.8 | 58.1 | 0 | 0 | 0 | 0 | 114.3 | ||
| 594 | T | 82 | Confident | 83.1 | Confident | 98 Ų | 98 | 61.1 Ų | 61.1 | 60% | 0.601 | 36% | 0.356 | S | S | * | . | S | Bend | trans | -139.2 | 135.9 | 177.9 | 53 | 0 | 0 | 0 | 0 | 110.7 | N592 T596 L599 | N592-T594 PolarHBondContact O-N 2.92Å; T594-T596 PolarHBondContact O-N 2.89Å; T594-L599 WeakPolarHBondContact O-CD1 3.47Å |
| 595 | I | 83.6 | Confident | 82.9 | Confident | 37 Ų | 37 | 61.4 Ų | 61.4 | 19% | 0.19 | 36% | 0.357 | C | S | . | . | trans | -90.6 | 108.9 | 179.9 | -59.3 | -178.5 | 0 | 0 | 0 | 108.7 | I564 L567 V589 L599 H600 | I564-I595 HydrophobicContact CD1-CB 4.21Å; I564-I595 HydrophobicContact CG1-CB 3.96Å; I564-I595 HydrophobicContact CG1-CG2 4.17Å; L567-I595 HydrophobicContact CD2-CD1 2.98Å; L567-I595 HydrophobicContact CD2-CG1 4.48Å; L567-I595 HydrophobicContact CG-CD1 4.45Å; V589-I595 HydrophobicContact CG1-CD1 4.38Å; I595-L599 HydrophobicContact CG2-CB 4.37Å; I595-H600 HydrophobicContact CG2-CB 4.43Å | ||
| 596 | T | 80.7 | Confident | 82.7 | Confident | 67 Ų | 67 | 66.6 Ų | 66.6 | 41% | 0.411 | 38% | 0.377 | S | S | . | . | trans | -85.6 | 165 | 174.7 | 63.5 | 0 | 0 | 0 | 0 | 110.6 | T594 A598 L599 H600 | T594-T596 PolarHBondContact O-N 2.89Å; T596-A598 PolarHBondContact O-N 3.26Å; T596-L599 PolarHBondContact O-N 3.14Å; T596-L599 VanDerWaalsContact O-N 3.1Å; T596-L599 PolarHBondContact OG1-N 3.12Å; T596-H600 PolarHBondContact O-N 3.05Å | ||
| 597 | S | 75.5 | Confident | 82.8 | Confident | 68 Ų | 68 | 61.5 Ų | 61.5 | 48% | 0.476 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -56.8 | -34.2 | 172.4 | 165.4 | 0 | 0 | 0 | 0 | 112.5 | H600 T601 | S597-H600 PolarHBondContact O-N 3.36Å; S597-T601 PolarHBondContact O-N 3.39Å; S597-T601 PolarHBondContact O-OG1 3.47Å |
| 598 | A | 73.1 | Confident | 82.9 | Confident | 70 Ų | 70 | 61.2 Ų | 61.2 | 58% | 0.579 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -65.7 | -43.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.2 | T596 T601 L602 | T596-A598 PolarHBondContact O-N 3.26Å; A598-T601 PolarHBondContact O-N 3.26Å; A598-L602 WeakPolarHBondContact O-CB 3.4Å; A598-L602 PolarHBondContact O-N 2.83Å |
| 599 | L | 78.6 | Confident | 83 | Confident | 32 Ų | 32 | 65.3 Ų | 65.3 | 17% | 0.168 | 37% | 0.373 | C | S | . | . | H | α-helix | trans | -67.7 | -38.6 | 176.5 | -74.1 | 169.7 | 0 | 0 | 0 | 112.3 | L588 N592 T594 I595 T596 T601 L602 F603 | L588-L599 HydrophobicContact CD1-CD2 4.44Å; N592-L599 HydrophobicContact CB-CD1 3.69Å; T594-L599 WeakPolarHBondContact O-CD1 3.47Å; I595-L599 HydrophobicContact CG2-CB 4.37Å; T596-L599 PolarHBondContact O-N 3.14Å; T596-L599 VanDerWaalsContact O-N 3.1Å; T596-L599 PolarHBondContact OG1-N 3.12Å; L599-T601 VanDerWaalsContact C-N 3.35Å; L599-L602 HydrophobicContact CD2-CD2 4.43Å; L599-L602 PolarHBondContact O-N 3.03Å; L599-F603 WeakPolarHBondContact O-CB 3.29Å; L599-F603 PolarHBondContact O-N 2.86Å |
| 600 | H | 84.2 | Confident | 83.1 | Confident | 5 Ų | 5 | 64.8 Ų | 64.8 | 2% | 0.023 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -58.4 | -47.4 | 172.3 | 175.1 | -158.9 | 0 | 0 | 0 | 111.1 | L558 T560 F563 I595 T596 S597 L602 F603 L604 | L558-H600 PolarHBondContact O-CE1 3.22Å; T560-H600 HydrophobicContact CG2-CB 4.23Å; T560-H600 PolarHBondContact OG1-ND1 3.1Å; T560-H600 VanDerWaalsContact OG1-ND1 3.16Å; F563-H600 HydrophobicContact CD1-CB 4.27Å; F563-H600 AromaticContact CD1-CD2 3.5Å; F563-H600 AromaticContact CD1-CG 3.86Å; F563-H600 AromaticContact CD2-CD2 3.67Å; F563-H600 AromaticContact CD2-NE2 3.52Å; F563-H600 AromaticContact CE1-CD2 3.78Å; F563-H600 AromaticContact CE2-CD2 3.95Å; F563-H600 AromaticContact CG-CD2 3.44Å; F563-H600 VanDerWaalsContact CG-CD2 3.44Å; F563-H600 WeakPolarHBondContact CG-CD2 3.39Å; F563-H600 AromaticContact CG-NE2 3.44Å; F563-H600 WeakPolarHBondContact CG-NE2 3.34Å; I595-H600 HydrophobicContact CG2-CB 4.43Å; T596-H600 PolarHBondContact O-N 3.05Å; S597-H600 PolarHBondContact O-N 3.36Å; H600-L602 PolarHBondContact O-N 2.96Å; H600-F603 WeakPolarHBondContact O-CB 3.36Å; H600-F603 PolarHBondContact O-N 2.89Å; H600-L604 PolarHBondContact O-N 3.09Å; H600-L604 VanDerWaalsContact O-N 3.13Å |
| 601 | T | 78.6 | Confident | 83.2 | Confident | 61 Ų | 61 | 59 Ų | 59 | 37% | 0.374 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -61.2 | -46.8 | 176.4 | -55.9 | 0 | 0 | 0 | 0 | 111.5 | S597 A598 L599 F603 L604 Q605 | S597-T601 PolarHBondContact O-N 3.39Å; S597-T601 PolarHBondContact O-OG1 3.47Å; A598-T601 PolarHBondContact O-N 3.26Å; L599-T601 VanDerWaalsContact C-N 3.35Å; T601-F603 VanDerWaalsContact C-N 3.31Å; T601-F603 PolarHBondContact O-N 2.92Å; T601-L604 PolarHBondContact O-N 3.25Å; T601-Q605 HydrophobicContact CG2-CG 4.43Å; T601-Q605 VanDerWaalsContact O-CG 3.31Å; T601-Q605 WeakPolarHBondContact O-CG 3.38Å; T601-Q605 PolarHBondContact O-N 3.22Å |
| 602 | L | 79.6 | Confident | 83.3 | Confident | 55 Ų | 55 | 57.2 Ų | 57.2 | 29% | 0.288 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.5 | -40.4 | 177.9 | 179.8 | 64 | 0 | 0 | 0 | 112 | L588 A598 L599 H600 Q605 R606 | L588-L602 HydrophobicContact CD1-CD2 4.22Å; A598-L602 WeakPolarHBondContact O-CB 3.4Å; A598-L602 PolarHBondContact O-N 2.83Å; L599-L602 HydrophobicContact CD2-CD2 4.43Å; L599-L602 PolarHBondContact O-N 3.03Å; H600-L602 PolarHBondContact O-N 2.96Å; L602-Q605 PolarHBondContact O-N 3Å; L602-R606 HydrophobicContact CD1-CG 4.23Å; L602-R606 WeakPolarHBondContact O-CG 3.33Å; L602-R606 PolarHBondContact O-N 3.22Å |
| 603 | F | 87.9 | Confident | 83.9 | Confident | 4 Ų | 4 | 58.8 Ų | 58.8 | 2% | 0.018 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -58.6 | -51.2 | 176.6 | -172.3 | -77.8 | 0 | 0 | 0 | 110.7 | F563 L567 I570 L571 L574 W581 A585 L588 V589 L599 H600 T601 Q605 R606 W607 | F563-F603 HydrophobicContact CE2-CD1 4.19Å; F563-F603 HydrophobicContact CE2-CE1 4.35Å; F563-F603 HydrophobicContact CZ-CB 4.38Å; F563-F603 AromaticContact CZ-CD1 3.62Å; F563-F603 HydrophobicContact CZ-CD1 3.62Å; F563-F603 HydrophobicContact CZ-CD2 4.39Å; F563-F603 AromaticContact CZ-CE1 3.93Å; F563-F603 HydrophobicContact CZ-CE1 3.93Å; F563-F603 AromaticContact CZ-CG 3.89Å; F563-F603 HydrophobicContact CZ-CG 3.89Å; F563-F603 HydrophobicContact CZ-CZ 4.43Å; L567-F603 HydrophobicContact CD1-CE2 4.07Å; L567-F603 HydrophobicContact CD1-CZ 4.09Å; I570-F603 HydrophobicContact CG2-CE1 4.47Å; L571-F603 HydrophobicContact CD2-CE2 4.21Å; L571-F603 HydrophobicContact CD2-CZ 4.21Å; L574-F603 HydrophobicContact CD1-CZ 4.32Å; W581-F603 HydrophobicContact CZ2-CD2 4.22Å; W581-F603 HydrophobicContact CZ2-CE2 4.42Å; W581-F603 HydrophobicContact CZ2-CG 4.44Å; W581-F603 AromaticContact NE1-CE1 3.73Å; W581-F603 AromaticContact NE1-CZ 3.74Å; A585-F603 HydrophobicContact CB-CE2 3.67Å; A585-F603 HydrophobicContact CB-CZ 3.84Å; L588-F603 HydrophobicContact CD2-CB 4.28Å; L588-F603 HydrophobicContact CD2-CD2 4.1Å; V589-F603 HydrophobicContact CG2-CD2 4.37Å; V589-F603 HydrophobicContact CG2-CE2 4.11Å; L599-F603 WeakPolarHBondContact O-CB 3.29Å; L599-F603 PolarHBondContact O-N 2.86Å; H600-F603 WeakPolarHBondContact O-CB 3.36Å; H600-F603 PolarHBondContact O-N 2.89Å; T601-F603 VanDerWaalsContact C-N 3.31Å; T601-F603 PolarHBondContact O-N 2.92Å; F603-Q605 VanDerWaalsContact C-N 3.34Å; F603-Q605 PolarHBondContact O-N 3.01Å; F603-R606 PolarHBondContact O-N 3.03Å; F603-W607 HydrophobicContact CD1-CE3 4.15Å; F603-W607 HydrophobicContact CE1-CD2 4.44Å; F603-W607 AromaticContact CE1-CE3 3.64Å; F603-W607 HydrophobicContact CE1-CE3 3.64Å; F603-W607 HydrophobicContact CE1-CZ3 4.08Å; F603-W607 WeakPolarHBondContact O-CB 3.48Å; F603-W607 PolarHBondContact O-N 3.18Å |
| 604 | L | 88.1 | Confident | 84.5 | Confident | 24 Ų | 24 | 54.8 Ų | 54.8 | 13% | 0.126 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -65.3 | -35.5 | 178.9 | -65.9 | 178.5 | 0 | 0 | 0 | 112.6 | Y552 H600 T601 W607 R608 | Y552-L604 HydrophobicContact CD2-CD2 4.42Å; Y552-L604 HydrophobicContact CE2-CB 4.43Å; Y552-L604 HydrophobicContact CE2-CD2 4.22Å; Y552-L604 WeakPolarHBondContact CE2-O 3.2Å; H600-L604 PolarHBondContact O-N 3.09Å; H600-L604 VanDerWaalsContact O-N 3.13Å; T601-L604 PolarHBondContact O-N 3.25Å; L604-W607 HydrophobicContact CD2-CE3 4.25Å; L604-R608 WeakPolarHBondContact O-CB 3.23Å; L604-R608 PolarHBondContact O-N 3.09Å |
| 605 | Q | 82.1 | Confident | 84.9 | Confident | 110 Ų | 110 | 50.1 Ų | 50.1 | 51% | 0.514 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -65.5 | -46.9 | 176.3 | -75.5 | 176.3 | -8.6 | 0 | 0 | 112 | T601 L602 F603 R608 L609 | T601-Q605 HydrophobicContact CG2-CG 4.43Å; T601-Q605 VanDerWaalsContact O-CG 3.31Å; T601-Q605 WeakPolarHBondContact O-CG 3.38Å; T601-Q605 PolarHBondContact O-N 3.22Å; L602-Q605 PolarHBondContact O-N 3Å; F603-Q605 VanDerWaalsContact C-N 3.34Å; F603-Q605 PolarHBondContact O-N 3.01Å; Q605-R608 WeakPolarHBondContact O-CB 3.4Å; Q605-R608 PolarHBondContact O-N 3.12Å; Q605-L609 WeakPolarHBondContact O-CG 3.43Å; Q605-L609 PolarHBondContact O-N 3.36Å |
| 606 | R | 85.2 | Confident | 85.1 | Confident | 109 Ų | 109 | 50.1 Ų | 50.1 | 41% | 0.411 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68 | -37.4 | 177.7 | -72.2 | -173.8 | 176.6 | -165.2 | 1.2 | 112.4 | W581 L602 F603 R608 L609 S610 | W581-R606 HydrophobicContact CD2-CB 4.47Å; W581-R606 HydrophobicContact CE3-CB 4.12Å; W581-R606 HydrophobicContact CH2-CB 3.33Å; W581-R606 VanDerWaalsContact CH2-CD 3.41Å; W581-R606 HydrophobicContact CH2-CG 4.03Å; W581-R606 HydrophobicContact CZ2-CB 3.66Å; W581-R606 HydrophobicContact CZ3-CB 3.55Å; W581-R606 HydrophobicContact CZ3-CG 4.29Å; L602-R606 HydrophobicContact CD1-CG 4.23Å; L602-R606 WeakPolarHBondContact O-CG 3.33Å; L602-R606 PolarHBondContact O-N 3.22Å; F603-R606 PolarHBondContact O-N 3.03Å; R606-R608 VanDerWaalsContact C-N 3.35Å; R606-L609 PolarHBondContact O-N 2.98Å; R606-S610 PolarHBondContact O-N 3.37Å |
| 607 | W | 91.7 | Very high | 85.7 | Confident | 0 Ų | 0 | 49.7 Ų | 49.7 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 172.3 | -165.6 | -1 | 0 | 0 | 0 | 111.3 | E548 C551 Y552 I570 L574 W581 F603 L604 L609 S610 L611 | E548-W607 HydrophobicContact CG-CZ2 4.12Å; E548-W607 PolarHBondContact OE1-NE1 3.09Å; C551-W607 HydrophobicContact CB-CH2 4.22Å; C551-W607 HydrophobicContact CB-CZ2 4.42Å; Y552-W607 HydrophobicContact CD2-CB 4.19Å; Y552-W607 AromaticContact CD2-CD2 3.59Å; Y552-W607 HydrophobicContact CD2-CD2 3.59Å; Y552-W607 AromaticContact CD2-CE3 3.69Å; Y552-W607 HydrophobicContact CD2-CE3 3.69Å; Y552-W607 AromaticContact CD2-CG 3.82Å; Y552-W607 HydrophobicContact CD2-CG 3.82Å; Y552-W607 HydrophobicContact CD2-CZ3 4.29Å; Y552-W607 HydrophobicContact CE2-CB 4.25Å; Y552-W607 HydrophobicContact CE2-CD2 4.46Å; Y552-W607 HydrophobicContact CE2-CG 4.36Å; Y552-W607 HydrophobicContact CG-CD2 4.34Å; I570-W607 HydrophobicContact CG2-CH2 3.77Å; I570-W607 HydrophobicContact CG2-CZ3 3.74Å; L574-W607 HydrophobicContact CD1-CZ2 4.45Å; L574-W607 HydrophobicContact CD2-CH2 4.45Å; L574-W607 HydrophobicContact CD2-CZ2 3.61Å; L574-W607 HydrophobicContact CG-CZ2 4.28Å; W581-W607 AromaticContact CD1-CD1 3.57Å; W581-W607 AromaticContact CD1-CG 3.45Å; W581-W607 VanDerWaalsContact CD1-CG 3.45Å; W581-W607 HydrophobicContact CG-CB 4.3Å; W581-W607 HydrophobicContact CG-CG 4.31Å; W581-W607 AromaticContact NE1-CG 3.84Å; F603-W607 HydrophobicContact CD1-CE3 4.15Å; F603-W607 HydrophobicContact CE1-CD2 4.44Å; F603-W607 AromaticContact CE1-CE3 3.64Å; F603-W607 HydrophobicContact CE1-CE3 3.64Å; F603-W607 HydrophobicContact CE1-CZ3 4.08Å; F603-W607 WeakPolarHBondContact O-CB 3.48Å; F603-W607 PolarHBondContact O-N 3.18Å; L604-W607 HydrophobicContact CD2-CE3 4.25Å; W607-L609 VanDerWaalsContact C-N 3.33Å; W607-L609 PolarHBondContact O-N 3.4Å; W607-S610 WeakPolarHBondContact O-CB 3.15Å; W607-S610 PolarHBondContact O-N 2.98Å; W607-S610 VanDerWaalsContact O-N 3.1Å; W607-L611 PolarHBondContact O-N 3.29Å |
| 608 | R | 89.6 | Confident | 86.4 | Confident | 107 Ų | 107 | 47.5 Ų | 47.5 | 40% | 0.404 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -56.5 | -45.4 | 175.1 | -167.1 | -177.9 | 165 | -165.2 | -4.9 | 112.4 | L486 Y552 L604 Q605 R606 S610 L611 I612 | L486-R608 HydrophobicContact CD2-CG 4.29Å; L486-R608 PolarHBondContact O-NH2 2.93Å; Y552-R608 HydrophobicContact CE2-CB 4.33Å; Y552-R608 WeakPolarHBondContact OH-CB 3.47Å; L604-R608 WeakPolarHBondContact O-CB 3.23Å; L604-R608 PolarHBondContact O-N 3.09Å; Q605-R608 WeakPolarHBondContact O-CB 3.4Å; Q605-R608 PolarHBondContact O-N 3.12Å; R606-R608 VanDerWaalsContact C-N 3.35Å; R608-S610 VanDerWaalsContact C-N 3.29Å; R608-S610 PolarHBondContact O-N 3.26Å; R608-L611 PolarHBondContact O-N 3.03Å; R608-I612 HydrophobicContact CG-CD1 4.06Å; R608-I612 WeakPolarHBondContact O-CG1 3.16Å; R608-I612 PolarHBondContact O-N 3.43Å |
| 609 | L | 85.7 | Confident | 87.2 | Confident | 111 Ų | 111 | 44.1 Ų | 44.1 | 58% | 0.581 | 22% | 0.223 | S | C | * | . | H | α-helix | trans | -60.7 | -40.5 | 177.7 | -71.5 | 172.2 | 0 | 0 | 0 | 111.4 | Q605 R606 W607 I612 V613 | Q605-L609 WeakPolarHBondContact O-CG 3.43Å; Q605-L609 PolarHBondContact O-N 3.36Å; R606-L609 PolarHBondContact O-N 2.98Å; W607-L609 VanDerWaalsContact C-N 3.33Å; W607-L609 PolarHBondContact O-N 3.4Å; L609-I612 PolarHBondContact O-N 3.45Å; L609-V613 WeakPolarHBondContact O-CG2 3.36Å; L609-V613 PolarHBondContact O-N 3.24Å |
| 610 | S | 89 | Confident | 87.8 | Confident | 17 Ų | 17 | 47.4 Ų | 47.4 | 12% | 0.119 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -61.5 | -45.9 | 174 | -179.7 | 0 | 0 | 0 | 0 | 112 | R606 W607 R608 I612 V613 Q614 | R606-S610 PolarHBondContact O-N 3.37Å; W607-S610 WeakPolarHBondContact O-CB 3.15Å; W607-S610 PolarHBondContact O-N 2.98Å; W607-S610 VanDerWaalsContact O-N 3.1Å; R608-S610 VanDerWaalsContact C-N 3.29Å; R608-S610 PolarHBondContact O-N 3.26Å; S610-I612 VanDerWaalsContact C-N 3.34Å; S610-I612 PolarHBondContact O-N 3.19Å; S610-V613 PolarHBondContact O-N 2.67Å; S610-Q614 WeakPolarHBondContact O-CG 3.33Å; S610-Q614 PolarHBondContact O-N 2.97Å |
| 611 | L | 91.7 | Very high | 88.2 | Confident | 1 Ų | 1 | 52.5 Ų | 52.5 | 1% | 0.005 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -61.6 | -40 | 176.3 | -68.3 | 175.6 | 0 | 0 | 0 | 112.4 | L486 L545 E548 V549 Y552 W607 R608 V613 Q614 A615 | L486-L611 HydrophobicContact CD1-CB 3.84Å; L486-L611 HydrophobicContact CD2-CB 3.88Å; L486-L611 HydrophobicContact CD2-CD1 4.31Å; L545-L611 HydrophobicContact CD1-CD2 3.79Å; E548-L611 HydrophobicContact CG-CD2 3.96Å; V549-L611 HydrophobicContact CG2-CD1 4.39Å; V549-L611 HydrophobicContact CG2-CD2 3.92Å; Y552-L611 HydrophobicContact CD1-CD1 3.62Å; Y552-L611 HydrophobicContact CD2-CD1 4.14Å; Y552-L611 HydrophobicContact CE1-CD1 4.25Å; Y552-L611 HydrophobicContact CG-CD1 3.55Å; W607-L611 PolarHBondContact O-N 3.29Å; R608-L611 PolarHBondContact O-N 3.03Å; L611-V613 VanDerWaalsContact C-N 3.34Å; L611-V613 PolarHBondContact O-N 3.49Å; L611-Q614 PolarHBondContact O-N 3.26Å; L611-A615 WeakPolarHBondContact O-CB 3.49Å; L611-A615 PolarHBondContact O-N 2.78Å |
| 612 | I | 86.4 | Confident | 88.8 | Confident | 43 Ų | 43 | 50.6 Ų | 50.6 | 22% | 0.221 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -59.8 | -45 | 175 | -73.1 | 162.9 | 0 | 0 | 0 | 110.6 | L486 V488 R608 L609 S610 A615 T616 | L486-I612 HydrophobicContact CB-CG1 3.99Å; V488-I612 HydrophobicContact CG2-CB 4.44Å; V488-I612 HydrophobicContact CG2-CG1 4.22Å; V488-I612 HydrophobicContact CG2-CG2 4.06Å; R608-I612 HydrophobicContact CG-CD1 4.06Å; R608-I612 WeakPolarHBondContact O-CG1 3.16Å; R608-I612 PolarHBondContact O-N 3.43Å; L609-I612 PolarHBondContact O-N 3.45Å; S610-I612 VanDerWaalsContact C-N 3.34Å; S610-I612 PolarHBondContact O-N 3.19Å; I612-A615 PolarHBondContact O-N 3.38Å; I612-T616 WeakPolarHBondContact O-CB 3.43Å; I612-T616 PolarHBondContact O-N 3.41Å; I612-T616 PolarHBondContact O-OG1 2.73Å |
| 613 | V | 90.7 | Very high | 89.3 | Confident | 91 Ų | 91 | 48.4 Ų | 48.4 | 55% | 0.552 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -62.2 | -47.7 | 177.1 | 172.7 | 0 | 0 | 0 | 0 | 110.4 | L609 S610 L611 A615 T616 T617 | L609-V613 WeakPolarHBondContact O-CG2 3.36Å; L609-V613 PolarHBondContact O-N 3.24Å; S610-V613 PolarHBondContact O-N 2.67Å; L611-V613 VanDerWaalsContact C-N 3.34Å; L611-V613 PolarHBondContact O-N 3.49Å; V613-A615 PolarHBondContact O-N 2.92Å; V613-T616 PolarHBondContact O-N 2.88Å; V613-T617 WeakPolarHBondContact O-CB 3.48Å; V613-T617 PolarHBondContact O-N 3.23Å; V613-T617 PolarHBondContact O-OG1 3.49Å |
| 614 | Q | 91.1 | Very high | 89.4 | Confident | 41 Ų | 41 | 52.2 Ų | 52.2 | 19% | 0.192 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -58.7 | -47 | 178.2 | -69.1 | -171 | 76 | 0 | 0 | 112.3 | L545 E548 P580 S610 L611 T617 L618 | L545-Q614 HydrophobicContact CD1-CB 4.19Å; L545-Q614 HydrophobicContact CD2-CB 4.27Å; E548-Q614 PolarHBondContact OE2-NE2 2.87Å; P580-Q614 HydrophobicContact CG-CG 4.06Å; S610-Q614 WeakPolarHBondContact O-CG 3.33Å; S610-Q614 PolarHBondContact O-N 2.97Å; L611-Q614 PolarHBondContact O-N 3.26Å; Q614-T617 PolarHBondContact O-N 3.37Å; Q614-L618 WeakPolarHBondContact O-CB 3.34Å; Q614-L618 PolarHBondContact O-N 2.81Å |
| 615 | A | 89.8 | Confident | 89.5 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.3 | -43.7 | 177.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | L482 L486 L611 I612 V613 L618 N619 | L482-A615 HydrophobicContact CD2-CB 3.87Å; L482-A615 HydrophobicContact CG-CB 4.1Å; L486-A615 HydrophobicContact CD1-CB 3.88Å; L611-A615 WeakPolarHBondContact O-CB 3.49Å; L611-A615 PolarHBondContact O-N 2.78Å; I612-A615 PolarHBondContact O-N 3.38Å; V613-A615 PolarHBondContact O-N 2.92Å; A615-L618 PolarHBondContact O-N 2.98Å; A615-N619 PolarHBondContact O-N 3.23Å; A615-N619 PolarHBondContact O-ND2 3.29Å |
| 616 | T | 89 | Confident | 89.9 | Confident | 37 Ų | 37 | 52.8 Ų | 52.8 | 23% | 0.227 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -64.5 | -42.3 | 178.2 | -52.7 | 0 | 0 | 0 | 0 | 111.6 | L493 I612 V613 L618 N619 Q620 | L493-T616 HydrophobicContact CD1-CG2 4.43Å; I612-T616 WeakPolarHBondContact O-CB 3.43Å; I612-T616 PolarHBondContact O-N 3.41Å; I612-T616 PolarHBondContact O-OG1 2.73Å; V613-T616 PolarHBondContact O-N 2.88Å; T616-L618 VanDerWaalsContact C-N 3.34Å; T616-L618 PolarHBondContact O-N 3.47Å; T616-N619 PolarHBondContact O-N 3.45Å; T616-Q620 WeakPolarHBondContact O-CG 3.09Å; T616-Q620 PolarHBondContact O-N 3.12Å |
| 617 | T | 91.4 | Very high | 90.1 | Very high | 57 Ų | 57 | 50.5 Ų | 50.5 | 35% | 0.35 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -62.3 | -41.1 | 175.1 | -60.9 | 0 | 0 | 0 | 0 | 111.6 | V613 Q614 Q620 Q621 | V613-T617 WeakPolarHBondContact O-CB 3.48Å; V613-T617 PolarHBondContact O-N 3.23Å; V613-T617 PolarHBondContact O-OG1 3.49Å; Q614-T617 PolarHBondContact O-N 3.37Å; T617-Q620 PolarHBondContact O-N 3.21Å; T617-Q621 WeakPolarHBondContact O-CG 3.36Å; T617-Q621 PolarHBondContact O-N 2.66Å |
| 618 | L | 92.1 | Very high | 89.9 | Confident | 22 Ų | 22 | 56.8 Ų | 56.8 | 12% | 0.115 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -43.5 | 176 | -178.8 | 59.8 | 0 | 0 | 0 | 112 | L479 P542 L545 Q614 A615 T616 Q620 Q621 L622 | L479-L618 HydrophobicContact CD1-CD2 3.83Å; L479-L618 HydrophobicContact CD1-CG 4.26Å; L479-L618 HydrophobicContact CD2-CD2 4.45Å; L479-L618 HydrophobicContact CD2-CG 4.25Å; P542-L618 HydrophobicContact CG-CD2 4.4Å; L545-L618 HydrophobicContact CD2-CD2 4.47Å; Q614-L618 WeakPolarHBondContact O-CB 3.34Å; Q614-L618 PolarHBondContact O-N 2.81Å; A615-L618 PolarHBondContact O-N 2.98Å; T616-L618 VanDerWaalsContact C-N 3.34Å; T616-L618 PolarHBondContact O-N 3.47Å; L618-Q620 VanDerWaalsContact C-N 3.32Å; L618-Q620 PolarHBondContact O-N 2.92Å; L618-Q621 PolarHBondContact O-N 3.07Å; L618-L622 HydrophobicContact CD1-CD1 4.27Å; L618-L622 HydrophobicContact CD1-CG 4.46Å; L618-L622 HydrophobicContact CG-CD1 4.27Å; L618-L622 WeakPolarHBondContact O-CG 3.32Å; L618-L622 PolarHBondContact O-N 3.34Å; L618-L622 VanDerWaalsContact O-N 3.13Å |
| 619 | N | 89.7 | Confident | 89.8 | Confident | 0 Ų | 0 | 57.3 Ų | 57.3 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -56.8 | -46 | 173 | -74.1 | -57.5 | 0 | 0 | 0 | 111.1 | L479 N483 L493 A615 T616 L623 | L479-N619 WeakPolarHBondContact CD2-OD1 3.33Å; L479-N619 WeakPolarHBondContact CG-OD1 3.27Å; N483-N619 PolarHBondContact ND2-ND2 3.13Å; N483-N619 PolarHBondContact ND2-OD1 3.06Å; N483-N619 PolarHBondContact OD1-ND2 2.78Å; L493-N619 HydrophobicContact CD1-CB 3.72Å; A615-N619 PolarHBondContact O-N 3.23Å; A615-N619 PolarHBondContact O-ND2 3.29Å; T616-N619 PolarHBondContact O-N 3.45Å; N619-L623 WeakPolarHBondContact O-CB 3.38Å; N619-L623 VanDerWaalsContact O-CG 3.28Å; N619-L623 WeakPolarHBondContact O-CG 3.24Å; N619-L623 PolarHBondContact O-N 3.27Å |
| 620 | Q | 90.2 | Very high | 90 | Very high | 101 Ų | 101 | 53.1 Ų | 53.1 | 47% | 0.472 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 179.6 | -74.8 | 176.6 | -14.7 | 0 | 0 | 113 | L493 T616 T617 L618 L623 E624 | L493-Q620 HydrophobicContact CD2-CG 4.09Å; T616-Q620 WeakPolarHBondContact O-CG 3.09Å; T616-Q620 PolarHBondContact O-N 3.12Å; T617-Q620 PolarHBondContact O-N 3.21Å; L618-Q620 VanDerWaalsContact C-N 3.32Å; L618-Q620 PolarHBondContact O-N 2.92Å; Q620-L623 PolarHBondContact O-N 3.02Å; Q620-E624 PolarHBondContact O-N 3.33Å |
| 621 | Q | 91.7 | Very high | 90 | Very high | 111 Ų | 111 | 54.5 Ų | 54.5 | 52% | 0.519 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -60.7 | -47.2 | 178.3 | -74.9 | 174.2 | -11 | 0 | 0 | 111.6 | T617 L618 L623 E624 E625 | T617-Q621 WeakPolarHBondContact O-CG 3.36Å; T617-Q621 PolarHBondContact O-N 2.66Å; L618-Q621 PolarHBondContact O-N 3.07Å; Q621-L623 PolarHBondContact O-N 2.79Å; Q621-E624 PolarHBondContact O-N 2.87Å; Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 2.96Å; Q621-E625 VanDerWaalsContact O-N 3.09Å |
| 622 | L | 91.6 | Very high | 89.7 | Confident | 22 Ų | 22 | 57.9 Ų | 57.9 | 12% | 0.115 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -63.7 | -41.2 | 178.3 | -71.8 | 168.4 | 0 | 0 | 0 | 112.1 | L479 L536 A539 L618 E625 E626 | L479-L622 HydrophobicContact CD2-CD1 3.5Å; L479-L622 VanDerWaalsContact CD2-CD1 3.5Å; L536-L622 HydrophobicContact CD2-CB 4.15Å; L536-L622 HydrophobicContact CD2-CD1 4.28Å; A539-L622 HydrophobicContact CB-CD1 3.54Å; L618-L622 HydrophobicContact CD1-CD1 4.27Å; L618-L622 HydrophobicContact CD1-CG 4.46Å; L618-L622 HydrophobicContact CG-CD1 4.27Å; L618-L622 WeakPolarHBondContact O-CG 3.32Å; L618-L622 PolarHBondContact O-N 3.34Å; L618-L622 VanDerWaalsContact O-N 3.13Å; L622-E625 PolarHBondContact O-N 3.33Å; L622-E626 WeakPolarHBondContact O-CG 3.42Å; L622-E626 PolarHBondContact O-N 2.8Å; L622-E626 VanDerWaalsContact O-N 3.13Å |
| 623 | L | 91.6 | Very high | 89.7 | Confident | 8 Ų | 8 | 60 Ų | 60 | 4% | 0.042 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -66 | -38.6 | 177.3 | -73.2 | 172.9 | 0 | 0 | 0 | 112.2 | L493 I494 M497 L532 L536 N619 Q620 Q621 E626 R627 | L493-L623 HydrophobicContact CB-CD1 3.62Å; I494-L623 HydrophobicContact CG1-CD1 4.45Å; I494-L623 HydrophobicContact CG1-CD2 4.22Å; M497-L623 HydrophobicContact CG-CB 4.46Å; M497-L623 HydrophobicContact SD-CB 3.92Å; M497-L623 HydrophobicContact SD-CD2 3.9Å; M497-L623 HydrophobicContact SD-CG 4.47Å; M497-L623 VanDerWaalsContact SD-O 3.32Å; L532-L623 HydrophobicContact CB-CD2 4.28Å; L532-L623 HydrophobicContact CD2-CD2 3.98Å; L536-L623 HydrophobicContact CD1-CD1 4.33Å; L536-L623 HydrophobicContact CD1-CD2 4.07Å; L536-L623 HydrophobicContact CD1-CG 4.29Å; L536-L623 HydrophobicContact CD2-CD2 4.48Å; L536-L623 HydrophobicContact CD2-CG 4.3Å; L536-L623 HydrophobicContact CG-CD2 4.31Å; N619-L623 WeakPolarHBondContact O-CB 3.38Å; N619-L623 VanDerWaalsContact O-CG 3.28Å; N619-L623 WeakPolarHBondContact O-CG 3.24Å; N619-L623 PolarHBondContact O-N 3.27Å; Q620-L623 PolarHBondContact O-N 3.02Å; Q621-L623 PolarHBondContact O-N 2.79Å; L623-E626 PolarHBondContact O-N 2.98Å; L623-R627 VanDerWaalsContact O-CB 3.3Å; L623-R627 WeakPolarHBondContact O-CB 3.42Å; L623-R627 PolarHBondContact O-N 3.1Å |
| 624 | E | 89.9 | Confident | 89.6 | Confident | 84 Ų | 84 | 55.8 Ų | 55.8 | 39% | 0.393 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -66.4 | -41 | 177.4 | -164.2 | 65.5 | -152.4 | 0 | 0 | 111.5 | Q620 Q621 E626 R627 E628 | Q620-E624 PolarHBondContact O-N 3.33Å; Q621-E624 PolarHBondContact O-N 2.87Å; E624-E626 PolarHBondContact O-N 2.77Å; E624-R627 WeakPolarHBondContact O-CB 3.32Å; E624-R627 PolarHBondContact O-N 3.18Å; E624-R627 IonicContact OE1-CZ 3.37Å; E624-R627 IonicContact OE1-NH1 3.87Å; E624-R627 PolarHBondContact OE1-NH1 2.73Å; E624-R627 IonicContact OE2-NH1 3.65Å; E624-E628 PolarHBondContact O-N 2.77Å |
| 625 | E | 90 | Very high | 89.4 | Confident | 103 Ų | 103 | 56.3 Ų | 56.3 | 48% | 0.481 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -58.8 | -44.7 | 173.9 | -72.5 | 177.2 | -175.3 | 0 | 0 | 112.1 | Q621 L622 E628 Q629 | Q621-E625 WeakPolarHBondContact O-CG 3.35Å; Q621-E625 PolarHBondContact O-N 2.96Å; Q621-E625 VanDerWaalsContact O-N 3.09Å; L622-E625 PolarHBondContact O-N 3.33Å; E625-E628 PolarHBondContact O-N 2.77Å; E625-Q629 WeakPolarHBondContact O-CG 3.41Å; E625-Q629 PolarHBondContact O-N 2.77Å |
| 626 | E | 89 | Confident | 89.1 | Confident | 43 Ų | 43 | 61.9 Ų | 61.9 | 20% | 0.201 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -68.8 | -36.5 | 177.4 | -68.4 | -63.3 | 152.6 | 0 | 0 | 112.1 | L532 R535 L622 L623 E624 E628 Q629 L630 | L532-E626 HydrophobicContact CD2-CB 3.78Å; L532-E626 HydrophobicContact CD2-CG 4.41Å; R535-E626 WeakPolarHBondContact CD-OE1 3.18Å; R535-E626 HydrophobicContact CG-CG 3.88Å; R535-E626 WeakPolarHBondContact CG-OE1 3.36Å; R535-E626 IonicContact CZ-OE1 3.96Å; R535-E626 IonicContact NE-OE1 3.08Å; R535-E626 PolarHBondContact NE-OE1 3.18Å; L622-E626 WeakPolarHBondContact O-CG 3.42Å; L622-E626 PolarHBondContact O-N 2.8Å; L622-E626 VanDerWaalsContact O-N 3.13Å; L623-E626 PolarHBondContact O-N 2.98Å; E624-E626 PolarHBondContact O-N 2.77Å; E626-E628 PolarHBondContact O-N 2.82Å; E626-Q629 PolarHBondContact O-N 3.08Å; E626-L630 VanDerWaalsContact O-CB 3.25Å; E626-L630 WeakPolarHBondContact O-CB 3.38Å; E626-L630 PolarHBondContact O-N 2.79Å |
| 627 | R | 89.1 | Confident | 89.1 | Confident | 61 Ų | 61 | 60.5 Ų | 60.5 | 23% | 0.23 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -60 | -45.1 | 175.9 | -177.8 | -168.9 | 175.2 | -151.5 | 3.3 | 111.3 | M497 A500 L501 L623 E624 L630 L631 | M497-R627 HydrophobicContact CE-CB 4.48Å; M497-R627 HydrophobicContact CG-CB 4.06Å; M497-R627 HydrophobicContact CG-CG 4.27Å; M497-R627 HydrophobicContact SD-CB 3.99Å; A500-R627 PolarHBondContact O-NH2 2.92Å; L501-R627 HydrophobicContact CD1-CG 4.37Å; L623-R627 VanDerWaalsContact O-CB 3.3Å; L623-R627 WeakPolarHBondContact O-CB 3.42Å; L623-R627 PolarHBondContact O-N 3.1Å; E624-R627 WeakPolarHBondContact O-CB 3.32Å; E624-R627 PolarHBondContact O-N 3.18Å; E624-R627 IonicContact OE1-CZ 3.37Å; E624-R627 IonicContact OE1-NH1 3.87Å; E624-R627 PolarHBondContact OE1-NH1 2.73Å; E624-R627 IonicContact OE2-NH1 3.65Å; R627-L630 PolarHBondContact O-N 3.28Å; R627-L631 WeakPolarHBondContact O-CB 3.47Å; R627-L631 PolarHBondContact O-N 3.28Å |
| 628 | E | 88.7 | Confident | 88.8 | Confident | 133 Ų | 133 | 58.4 Ų | 58.4 | 62% | 0.621 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -62.8 | -42.6 | 178.2 | -72 | -172.3 | 169.9 | 0 | 0 | 111.8 | E624 E625 E626 S632 | E624-E628 PolarHBondContact O-N 2.77Å; E625-E628 PolarHBondContact O-N 2.77Å; E626-E628 PolarHBondContact O-N 2.82Å; E628-S632 WeakPolarHBondContact O-CB 3.41Å; E628-S632 PolarHBondContact O-N 2.68Å |
| 629 | Q | 87.9 | Confident | 88.5 | Confident | 118 Ų | 118 | 61.6 Ų | 61.6 | 55% | 0.551 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -63.9 | -47.5 | 176.6 | -69 | -179 | 28.8 | 0 | 0 | 111.8 | E625 E626 L631 S632 E633 | E625-Q629 WeakPolarHBondContact O-CG 3.41Å; E625-Q629 PolarHBondContact O-N 2.77Å; E626-Q629 PolarHBondContact O-N 3.08Å; Q629-L631 VanDerWaalsContact C-N 3.34Å; Q629-L631 PolarHBondContact O-N 3.43Å; Q629-S632 WeakPolarHBondContact O-CB 3.28Å; Q629-S632 PolarHBondContact O-N 3.02Å; Q629-E633 PolarHBondContact O-N 2.91Å |
| 630 | L | 89.1 | Confident | 88.4 | Confident | 23 Ų | 23 | 62.4 Ų | 62.4 | 12% | 0.12 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 180 | -173.2 | 63.3 | 0 | 0 | 0 | 111.5 | L501 W528 E626 R627 E633 V634 | L501-L630 HydrophobicContact CD2-CD2 3.49Å; L501-L630 VanDerWaalsContact CD2-CD2 3.49Å; L501-L630 HydrophobicContact CD2-CG 4.07Å; W528-L630 HydrophobicContact CB-CD2 4.23Å; W528-L630 HydrophobicContact CD2-CD1 4.34Å; W528-L630 HydrophobicContact CD2-CD2 3.98Å; W528-L630 HydrophobicContact CE3-CD2 4.27Å; W528-L630 HydrophobicContact CG-CD1 4.25Å; W528-L630 HydrophobicContact CG-CD2 3.97Å; E626-L630 VanDerWaalsContact O-CB 3.25Å; E626-L630 WeakPolarHBondContact O-CB 3.38Å; E626-L630 PolarHBondContact O-N 2.79Å; R627-L630 PolarHBondContact O-N 3.28Å; L630-E633 PolarHBondContact O-N 2.64Å; L630-V634 HydrophobicContact CD1-CG2 4.42Å; L630-V634 HydrophobicContact CG-CG2 4.45Å; L630-V634 WeakPolarHBondContact O-CB 3.46Å; L630-V634 VanDerWaalsContact O-CG2 3.22Å; L630-V634 WeakPolarHBondContact O-CG2 3.39Å; L630-V634 PolarHBondContact O-N 3.18Å |
| 631 | L | 88.4 | Confident | 88.3 | Confident | 45 Ų | 45 | 57.6 Ų | 57.6 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -63.4 | -41 | 176.8 | -178.5 | 136.9 | 0 | 0 | 0 | 111.6 | L501 R627 Q629 Q635 | L501-L631 HydrophobicContact CD1-CB 3.88Å; L501-L631 HydrophobicContact CD1-CD1 4.23Å; R627-L631 WeakPolarHBondContact O-CB 3.47Å; R627-L631 PolarHBondContact O-N 3.28Å; Q629-L631 VanDerWaalsContact C-N 3.34Å; Q629-L631 PolarHBondContact O-N 3.43Å; L631-Q635 WeakPolarHBondContact O-CB 3.39Å; L631-Q635 WeakPolarHBondContact O-CG 3.46Å; L631-Q635 PolarHBondContact O-N 3.36Å |
| 632 | S | 86.9 | Confident | 88.1 | Confident | 72 Ų | 72 | 52.7 Ų | 52.7 | 50% | 0.503 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -62.7 | -47.1 | 174.2 | -175 | 0 | 0 | 0 | 0 | 112 | E628 Q629 Q635 E636 | E628-S632 WeakPolarHBondContact O-CB 3.41Å; E628-S632 PolarHBondContact O-N 2.68Å; Q629-S632 WeakPolarHBondContact O-CB 3.28Å; Q629-S632 PolarHBondContact O-N 3.02Å; S632-Q635 PolarHBondContact O-N 3.42Å; S632-E636 PolarHBondContact O-N 2.98Å; S632-E636 VanDerWaalsContact O-N 3.11Å |
| 633 | E | 86.2 | Confident | 87.8 | Confident | 89 Ų | 89 | 56.4 Ų | 56.4 | 42% | 0.416 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -61 | -48.3 | 177.5 | -174.3 | -172.2 | 149.7 | 0 | 0 | 111.6 | Q629 L630 Q635 E636 R637 | Q629-E633 PolarHBondContact O-N 2.91Å; L630-E633 PolarHBondContact O-N 2.64Å; E633-Q635 VanDerWaalsContact C-N 3.32Å; E633-Q635 PolarHBondContact O-N 3.38Å; E633-E636 PolarHBondContact O-N 2.98Å; E633-R637 WeakPolarHBondContact O-CG 3.47Å; E633-R637 PolarHBondContact O-N 3.14Å |
| 634 | V | 88.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 56.1 Ų | 56.1 | 1% | 0.012 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -60.9 | -41.9 | 179.1 | 168.1 | 0 | 0 | 0 | 0 | 110.6 | L507 W528 L630 E636 R637 M638 W659 | L507-V634 HydrophobicContact CD1-CG1 4.39Å; L507-V634 HydrophobicContact CD2-CG1 3.91Å; L507-V634 HydrophobicContact CG-CG1 4.49Å; W528-V634 HydrophobicContact CH2-CG2 3.89Å; W528-V634 HydrophobicContact CZ2-CG2 3.62Å; L630-V634 HydrophobicContact CD1-CG2 4.42Å; L630-V634 HydrophobicContact CG-CG2 4.45Å; L630-V634 WeakPolarHBondContact O-CB 3.46Å; L630-V634 VanDerWaalsContact O-CG2 3.22Å; L630-V634 WeakPolarHBondContact O-CG2 3.39Å; L630-V634 PolarHBondContact O-N 3.18Å; V634-E636 PolarHBondContact O-N 2.81Å; V634-R637 PolarHBondContact O-N 2.91Å; V634-M638 HydrophobicContact CG1-CG 4.18Å; V634-M638 HydrophobicContact CG1-SD 4.21Å; V634-M638 WeakPolarHBondContact O-CB 3.46Å; V634-M638 WeakPolarHBondContact O-CG 3.27Å; V634-M638 PolarHBondContact O-N 3.45Å; V634-W659 HydrophobicContact CG1-CH2 4.13Å |
| 635 | Q | 86 | Confident | 87.7 | Confident | 51 Ų | 51 | 53.2 Ų | 53.2 | 24% | 0.238 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -62.5 | -41.3 | 177.6 | -78 | 172.1 | 8.7 | 0 | 0 | 113.3 | Q506 L631 S632 E633 M638 T639 | Q506-Q635 VanDerWaalsContact CD-NE2 3.34Å; L631-Q635 WeakPolarHBondContact O-CB 3.39Å; L631-Q635 WeakPolarHBondContact O-CG 3.46Å; L631-Q635 PolarHBondContact O-N 3.36Å; S632-Q635 PolarHBondContact O-N 3.42Å; E633-Q635 VanDerWaalsContact C-N 3.32Å; E633-Q635 PolarHBondContact O-N 3.38Å; Q635-M638 HydrophobicContact CG-CE 4.39Å; Q635-M638 PolarHBondContact O-N 3.36Å; Q635-T639 PolarHBondContact O-N 2.92Å; Q635-T639 PolarHBondContact O-OG1 3.41Å |
| 636 | E | 84 | Confident | 87.5 | Confident | 117 Ų | 117 | 52.3 Ų | 52.3 | 55% | 0.547 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.1 | -46.9 | 176.6 | -174.7 | 165.3 | -151.5 | 0 | 0 | 110.9 | S632 E633 V634 M638 T639 L640 | S632-E636 PolarHBondContact O-N 2.98Å; S632-E636 VanDerWaalsContact O-N 3.11Å; E633-E636 PolarHBondContact O-N 2.98Å; V634-E636 PolarHBondContact O-N 2.81Å; E636-M638 PolarHBondContact O-N 2.6Å; E636-T639 PolarHBondContact O-N 3.15Å; E636-L640 PolarHBondContact O-N 3.12Å |
| 637 | R | 88 | Confident | 87.4 | Confident | 9 Ų | 9 | 51.3 Ų | 51.3 | 3% | 0.034 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.8 | -39.6 | 177.1 | -70.5 | 179.3 | 69.4 | -162.9 | -1.3 | 113 | D524 E633 V634 L640 S641 W659 S662 | D524-R637 IonicContact OD2-CZ 2.87Å; D524-R637 IonicContact OD2-NH1 2.65Å; D524-R637 PolarHBondContact OD2-NH1 2.96Å; D524-R637 IonicContact OD2-NH2 3.07Å; E633-R637 WeakPolarHBondContact O-CG 3.47Å; E633-R637 PolarHBondContact O-N 3.14Å; V634-R637 PolarHBondContact O-N 2.91Å; R637-L640 PolarHBondContact O-N 2.91Å; R637-S641 WeakPolarHBondContact O-CB 3.47Å; R637-S641 PolarHBondContact O-N 3.31Å; R637-S641 PolarHBondContact O-OG 3Å; R637-W659 HydrophobicContact CB-CE3 4.27Å; R637-W659 HydrophobicContact CB-CH2 3.58Å; R637-W659 HydrophobicContact CB-CZ2 4.4Å; R637-W659 HydrophobicContact CB-CZ3 3.51Å; R637-W659 VanDerWaalsContact CZ-CE2 3.44Å; R637-W659 VanDerWaalsContact CZ-CZ2 3.48Å; R637-W659 VanDerWaalsContact NH2-CD1 3.34Å; R637-W659 PolarHBondContact NH2-O 3.48Å; R637-S662 WeakPolarHBondContact CB-OG 3.4Å; R637-S662 WeakPolarHBondContact CG-OG 3.21Å; R637-S662 PolarHBondContact NE-OG 2.78Å |
| 638 | M | 86.9 | Confident | 87.3 | Confident | 12 Ų | 12 | 48.4 Ų | 48.4 | 6% | 0.059 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -63.9 | -43.7 | 176.9 | -78.6 | -166.8 | -27.4 | 0 | 0 | 111.8 | L507 F510 I521 V634 Q635 E636 L640 S641 G642 W659 | L507-M638 HydrophobicContact CD2-CE 4.4Å; L507-M638 HydrophobicContact CD2-SD 3.34Å; L507-M638 WeakPolarHBondContact CD2-SD 3.24Å; L507-M638 HydrophobicContact CG-SD 4.16Å; F510-M638 HydrophobicContact CB-CE 3.95Å; F510-M638 HydrophobicContact CB-SD 3.76Å; F510-M638 HydrophobicContact CD1-CB 4.44Å; F510-M638 HydrophobicContact CD1-CG 3.91Å; F510-M638 HydrophobicContact CD1-SD 3.47Å; F510-M638 WeakPolarHBondContact CD1-SD 3.48Å; F510-M638 HydrophobicContact CD2-CB 4Å; F510-M638 HydrophobicContact CD2-CE 4.17Å; F510-M638 HydrophobicContact CD2-CG 4.32Å; F510-M638 HydrophobicContact CD2-SD 4.05Å; F510-M638 HydrophobicContact CE1-CB 4.18Å; F510-M638 HydrophobicContact CE1-CG 3.8Å; F510-M638 HydrophobicContact CE1-SD 4.02Å; F510-M638 HydrophobicContact CE2-CB 3.71Å; F510-M638 HydrophobicContact CE2-CG 4.22Å; F510-M638 VanDerWaalsContact CE2-O 3.27Å; F510-M638 WeakPolarHBondContact CE2-O 3.39Å; F510-M638 HydrophobicContact CG-CB 4.35Å; F510-M638 HydrophobicContact CG-CE 3.98Å; F510-M638 HydrophobicContact CG-CG 4.16Å; F510-M638 HydrophobicContact CG-SD 3.48Å; F510-M638 WeakPolarHBondContact CG-SD 3.29Å; F510-M638 HydrophobicContact CZ-CB 3.8Å; F510-M638 HydrophobicContact CZ-CG 3.96Å; F510-M638 WeakPolarHBondContact CZ-O 3.44Å; I521-M638 HydrophobicContact CD1-CG 4.13Å; I521-M638 HydrophobicContact CD1-SD 4.45Å; V634-M638 HydrophobicContact CG1-CG 4.18Å; V634-M638 HydrophobicContact CG1-SD 4.21Å; V634-M638 WeakPolarHBondContact O-CB 3.46Å; V634-M638 WeakPolarHBondContact O-CG 3.27Å; V634-M638 PolarHBondContact O-N 3.45Å; Q635-M638 HydrophobicContact CG-CE 4.39Å; Q635-M638 PolarHBondContact O-N 3.36Å; E636-M638 PolarHBondContact O-N 2.6Å; M638-L640 VanDerWaalsContact C-N 3.3Å; M638-L640 PolarHBondContact O-N 3.25Å; M638-S641 PolarHBondContact O-N 3.47Å; M638-G642 PolarHBondContact O-N 3.17Å; M638-W659 HydrophobicContact CG-CH2 4.28Å; M638-W659 HydrophobicContact CG-CZ3 3.94Å |
| 639 | T | 85.5 | Confident | 87.1 | Confident | 89 Ų | 89 | 42.2 Ų | 42.2 | 55% | 0.546 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -60.4 | -43.2 | -179.5 | -56.9 | 0 | 0 | 0 | 0 | 110.9 | Q635 E636 Q643 | Q635-T639 PolarHBondContact O-N 2.92Å; Q635-T639 PolarHBondContact O-OG1 3.41Å; E636-T639 PolarHBondContact O-N 3.15Å; T639-Q643 WeakPolarHBondContact O-CG 3.45Å; T639-Q643 PolarHBondContact O-N 2.91Å |
| 640 | L | 86.3 | Confident | 86.9 | Confident | 17 Ų | 17 | 40.4 Ų | 40.4 | 9% | 0.089 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -67.5 | -52.9 | 176.3 | -177.5 | 76.5 | 0 | 0 | 0 | 111.9 | E636 R637 M638 G642 Q643 L644 L666 Y671 I853 | E636-L640 PolarHBondContact O-N 3.12Å; R637-L640 PolarHBondContact O-N 2.91Å; M638-L640 VanDerWaalsContact C-N 3.3Å; M638-L640 PolarHBondContact O-N 3.25Å; L640-G642 VanDerWaalsContact C-N 3.35Å; L640-G642 PolarHBondContact O-N 3.16Å; L640-Q643 PolarHBondContact O-N 3.08Å; L640-L644 HydrophobicContact CD1-CD1 4.05Å; L640-L644 HydrophobicContact CG-CD1 4.1Å; L640-L644 PolarHBondContact O-N 2.67Å; L640-L644 VanDerWaalsContact O-N 3.17Å; L640-L666 HydrophobicContact CD1-CD1 4.1Å; L640-L666 HydrophobicContact CD2-CD1 3.28Å; L640-L666 HydrophobicContact CG-CD1 4.33Å; L640-Y671 HydrophobicContact CD1-CD1 3.65Å; L640-Y671 HydrophobicContact CD1-CG 3.8Å; L640-I853 HydrophobicContact CD2-CD1 3.85Å |
| 641 | S | 88.1 | Confident | 86.6 | Confident | 1 Ų | 1 | 42 Ų | 42 | 1% | 0.007 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.8 | -40.4 | -174.4 | -57.6 | 0 | 0 | 0 | 0 | 111.7 | R637 M638 Q643 L644 E645 S662 | R637-S641 WeakPolarHBondContact O-CB 3.47Å; R637-S641 PolarHBondContact O-N 3.31Å; R637-S641 PolarHBondContact O-OG 3Å; M638-S641 PolarHBondContact O-N 3.47Å; S641-Q643 VanDerWaalsContact C-N 3.31Å; S641-Q643 PolarHBondContact O-N 2.86Å; S641-L644 PolarHBondContact O-N 2.65Å; S641-E645 WeakPolarHBondContact O-CB 3.34Å; S641-E645 PolarHBondContact O-N 2.84Å; S641-S662 WeakPolarHBondContact OG-CB 3.36Å |
| 642 | G | 87.3 | Confident | 86.3 | Confident | 8 Ų | 8 | 44.6 Ų | 44.6 | 8% | 0.082 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -65.5 | -29.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114 | F514 M638 L640 | F514-G642 WeakPolarHBondContact CE1-O 3.25Å; F514-G642 WeakPolarHBondContact CZ-O 3.49Å; M638-G642 PolarHBondContact O-N 3.17Å; L640-G642 VanDerWaalsContact C-N 3.35Å; L640-G642 PolarHBondContact O-N 3.16Å |
| 643 | Q | 87 | Confident | 86.2 | Confident | 100 Ų | 100 | 44.6 Ų | 44.6 | 47% | 0.467 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -76.4 | -30.6 | 174.7 | -69.5 | -81 | -16 | 0 | 0 | 112.3 | T639 L640 S641 Y671 | T639-Q643 WeakPolarHBondContact O-CG 3.45Å; T639-Q643 PolarHBondContact O-N 2.91Å; L640-Q643 PolarHBondContact O-N 3.08Å; S641-Q643 VanDerWaalsContact C-N 3.31Å; S641-Q643 PolarHBondContact O-N 2.86Å; Q643-Y671 HydrophobicContact CB-CD2 4.26Å; Q643-Y671 HydrophobicContact CB-CE2 3.78Å; Q643-Y671 HydrophobicContact CG-CE2 3.94Å |
| 644 | L | 89.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 40.3 Ų | 40.3 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -95.3 | -23.4 | -175.2 | -66.4 | -178.5 | 0 | 0 | 0 | 114.3 | L640 S641 I647 L648 Y671 I674 V675 I853 | L640-L644 HydrophobicContact CD1-CD1 4.05Å; L640-L644 HydrophobicContact CG-CD1 4.1Å; L640-L644 PolarHBondContact O-N 2.67Å; L640-L644 VanDerWaalsContact O-N 3.17Å; S641-L644 PolarHBondContact O-N 2.65Å; L644-I647 PolarHBondContact O-N 3.38Å; L644-L648 HydrophobicContact CB-CD1 4.49Å; L644-L648 PolarHBondContact O-N 3.48Å; L644-Y671 HydrophobicContact CD2-CD2 4.42Å; L644-I674 HydrophobicContact CD1-CD1 4.47Å; L644-I674 HydrophobicContact CD2-CB 4Å; L644-I674 HydrophobicContact CD2-CG2 3.67Å; L644-V675 HydrophobicContact CD2-CG2 4.32Å; L644-I853 HydrophobicContact CD1-CD1 3.98Å; L644-I853 HydrophobicContact CD1-CG1 4.48Å; L644-I853 HydrophobicContact CD1-CG2 4.22Å |
| 645 | E | 88.4 | Confident | 86 | Confident | 23 Ų | 23 | 40.2 Ų | 40.2 | 11% | 0.107 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -50.8 | -47.4 | -180 | -171.6 | -75 | 162 | 0 | 0 | 112.4 | R516 L517 S641 I647 L648 A649 | R516-E645 WeakPolarHBondContact CD-OE1 3.47Å; R516-E645 IonicContact CZ-OE1 3.96Å; R516-E645 IonicContact NE-OE1 3.47Å; R516-E645 IonicContact NH1-OE1 3.15Å; R516-E645 PolarHBondContact NH1-OE1 3.4Å; L517-E645 HydrophobicContact CD1-CB 4.28Å; L517-E645 HydrophobicContact CD1-CG 4.43Å; L517-E645 HydrophobicContact CG-CG 4.39Å; S641-E645 WeakPolarHBondContact O-CB 3.34Å; S641-E645 PolarHBondContact O-N 2.84Å; E645-I647 PolarHBondContact O-N 2.69Å; E645-L648 PolarHBondContact O-N 2.81Å; E645-A649 HydrophobicContact CG-CB 3.95Å; E645-A649 WeakPolarHBondContact O-CA 3.19Å; E645-A649 WeakPolarHBondContact O-CB 3.32Å; E645-A649 PolarHBondContact O-N 3.05Å |
| 646 | P | 86.3 | Confident | 86 | Confident | 84 Ų | 84 | 38.6 Ų | 38.6 | 55% | 0.545 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -65.5 | -17.8 | -179.1 | -22.8 | 35 | 0 | 0 | 0 | 114.4 | ||
| 647 | I | 87 | Confident | 86.1 | Confident | 22 Ų | 22 | 34.6 Ų | 34.6 | 11% | 0.113 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -99 | -41.7 | -175.7 | -63.1 | 152 | 0 | 0 | 0 | 111 | L644 E645 I674 V675 L820 R824 | L644-I647 PolarHBondContact O-N 3.38Å; E645-I647 PolarHBondContact O-N 2.69Å; I647-I674 HydrophobicContact CG2-CG2 4.35Å; I647-V675 HydrophobicContact CD1-CB 4.01Å; I647-V675 HydrophobicContact CD1-CG1 4.14Å; I647-V675 HydrophobicContact CD1-CG2 3.71Å; I647-L820 HydrophobicContact CG2-CD2 4.43Å; I647-R824 VanDerWaalsContact O-CD 3.27Å; I647-R824 WeakPolarHBondContact O-CD 3.23Å |
| 648 | L | 87.4 | Confident | 86.1 | Confident | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -112.8 | -13.8 | -168.3 | -68.1 | -179.4 | 0 | 0 | 0 | 114.6 | L644 E645 L658 I674 L820 M823 R824 L827 | L644-L648 HydrophobicContact CB-CD1 4.49Å; L644-L648 PolarHBondContact O-N 3.48Å; E645-L648 PolarHBondContact O-N 2.81Å; L648-L658 HydrophobicContact CB-CD1 3.71Å; L648-L658 HydrophobicContact CB-CD2 3.74Å; L648-L658 HydrophobicContact CB-CG 4.26Å; L648-L658 HydrophobicContact CD1-CD2 3.69Å; L648-L658 HydrophobicContact CG-CD2 4.38Å; L648-I674 HydrophobicContact CD1-CG2 4.03Å; L648-I674 HydrophobicContact CG-CG2 4.31Å; L648-L820 HydrophobicContact CD2-CD1 3.76Å; L648-L820 HydrophobicContact CD2-CG 4.06Å; L648-M823 HydrophobicContact CD1-CE 4.13Å; L648-M823 HydrophobicContact CD2-SD 4.42Å; L648-R824 WeakPolarHBondContact O-CG 3.25Å; L648-L827 HydrophobicContact CB-CD1 4.3Å |
| 649 | A | 84.9 | Confident | 86.2 | Confident | 3 Ų | 3 | 33.7 Ų | 33.7 | 3% | 0.025 | 19% | 0.19 | C | C | . | . | trans | -115.9 | 107.8 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.9 | R516 E645 A654 A655 L658 | R516-A649 PolarHBondContact NH1-O 3.49Å; E645-A649 HydrophobicContact CG-CB 3.95Å; E645-A649 WeakPolarHBondContact O-CA 3.19Å; E645-A649 WeakPolarHBondContact O-CB 3.32Å; E645-A649 PolarHBondContact O-N 3.05Å; A649-A654 HydrophobicContact CB-CB 3.83Å; A649-A655 HydrophobicContact CB-CB 4.11Å; A649-L658 HydrophobicContact CB-CD1 3.52Å | ||
| 650 | D | 82.2 | Confident | 86.2 | Confident | 80 Ų | 80 | 33.9 Ų | 33.9 | 43% | 0.428 | 19% | 0.188 | S | C | . | . | S | Bend | trans | -88.5 | -20.3 | 172.8 | -68.3 | -28.8 | 0 | 0 | 0 | 112 | R516 R824 | R516-D650 PolarHBondContact NH2-O 3.34Å; D650-R824 IonicContact OD1-NE 2.82Å; D650-R824 VanDerWaalsContact OD2-CD 3.31Å; D650-R824 WeakPolarHBondContact OD2-CD 3.4Å; D650-R824 IonicContact OD2-CZ 3.55Å; D650-R824 IonicContact OD2-NE 2.92Å; D650-R824 PolarHBondContact OD2-NE 3.21Å |
| 651 | N | 84.2 | Confident | 86.2 | Confident | 55 Ų | 55 | 33.3 Ų | 33.3 | 29% | 0.294 | 19% | 0.185 | S | C | . | . | S | Bend | trans | -144.2 | 174.6 | -176.7 | 68.1 | 4.6 | 0 | 0 | 0 | 112.8 | T653 A654 A655 A828 | N651-T653 VanDerWaalsContact C-N 3.3Å; N651-T653 PolarHBondContact O-N 3.17Å; N651-T653 PolarHBondContact OD1-N 2.99Å; N651-A654 PolarHBondContact O-N 2.68Å; N651-A654 VanDerWaalsContact OD1-CB 3.29Å; N651-A654 WeakPolarHBondContact OD1-CB 3.46Å; N651-A654 PolarHBondContact OD1-N 2.69Å; N651-A655 PolarHBondContact O-N 3.17Å; N651-A828 PolarHBondContact ND2-O 3.13Å |
| 652 | N | 81.2 | Confident | 86.1 | Confident | 100 Ų | 100 | 33.7 Ų | 33.7 | 54% | 0.535 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -61.7 | -35.5 | 179.8 | -69.3 | -4.8 | 0 | 0 | 0 | 112.7 | R516 A655 G656 | R516-N652 WeakPolarHBondContact CG-OD1 3.47Å; N652-A655 PolarHBondContact O-N 2.67Å; N652-G656 PolarHBondContact O-N 3.2Å |
| 653 | T | 84.1 | Confident | 85.8 | Confident | 72 Ų | 72 | 36.1 Ų | 36.1 | 44% | 0.442 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -62.7 | -44.3 | 178.2 | -48.9 | 0 | 0 | 0 | 0 | 111.9 | N651 G656 R657 | N651-T653 VanDerWaalsContact C-N 3.3Å; N651-T653 PolarHBondContact O-N 3.17Å; N651-T653 PolarHBondContact OD1-N 2.99Å; T653-G656 PolarHBondContact O-N 2.84Å; T653-R657 PolarHBondContact O-N 3Å; T653-R657 VanDerWaalsContact O-N 3.11Å |
| 654 | A | 85.2 | Confident | 85.1 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -66.7 | -41.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | A649 N651 G656 R657 L658 L827 A828 | A649-A654 HydrophobicContact CB-CB 3.83Å; N651-A654 PolarHBondContact O-N 2.68Å; N651-A654 VanDerWaalsContact OD1-CB 3.29Å; N651-A654 WeakPolarHBondContact OD1-CB 3.46Å; N651-A654 PolarHBondContact OD1-N 2.69Å; A654-G656 VanDerWaalsContact C-N 3.3Å; A654-G656 PolarHBondContact O-N 2.84Å; A654-R657 PolarHBondContact O-N 2.79Å; A654-L658 WeakPolarHBondContact O-CB 3.37Å; A654-L658 VanDerWaalsContact O-CG 3.29Å; A654-L658 WeakPolarHBondContact O-CG 3.35Å; A654-L658 PolarHBondContact O-N 2.73Å; A654-L827 HydrophobicContact CB-CB 3.98Å; A654-A828 HydrophobicContact CB-CB 4.37Å |
| 655 | A | 86.6 | Confident | 84 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -59.7 | -41.6 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.8 | R516 L517 A649 N651 N652 L658 W659 | R516-A655 HydrophobicContact CB-CB 3.79Å; L517-A655 HydrophobicContact CD2-CB 4.02Å; L517-A655 WeakPolarHBondContact CD2-O 3.42Å; A649-A655 HydrophobicContact CB-CB 4.11Å; N651-A655 PolarHBondContact O-N 3.17Å; N652-A655 PolarHBondContact O-N 2.67Å; A655-L658 PolarHBondContact O-N 2.99Å; A655-W659 PolarHBondContact O-N 3.38Å |
| 656 | G | 86.2 | Confident | 82.9 | Confident | 16 Ų | 16 | 42.1 Ų | 42.1 | 17% | 0.165 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.3 | -53.7 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | N652 T653 A654 L658 W659 D660 | N652-G656 PolarHBondContact O-N 3.2Å; T653-G656 PolarHBondContact O-N 2.84Å; A654-G656 VanDerWaalsContact C-N 3.3Å; A654-G656 PolarHBondContact O-N 2.84Å; G656-L658 VanDerWaalsContact C-N 3.31Å; G656-L658 PolarHBondContact O-N 3.32Å; G656-W659 WeakPolarHBondContact O-CA 3.39Å; G656-W659 VanDerWaalsContact O-CB 3.31Å; G656-W659 WeakPolarHBondContact O-CB 3.13Å; G656-W659 PolarHBondContact O-N 3.21Å; G656-W659 VanDerWaalsContact O-N 3.08Å; G656-D660 PolarHBondContact O-N 3.35Å |
| 657 | R | 85.9 | Confident | 81.8 | Confident | 34 Ų | 34 | 46 Ų | 46 | 13% | 0.128 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -64.1 | -34.8 | 178.2 | -68.8 | -150.5 | -151.7 | 114.2 | 48.9 | 113.4 | T653 A654 W659 D660 M661 A826 L827 N830 R831 | T653-R657 PolarHBondContact O-N 3Å; T653-R657 VanDerWaalsContact O-N 3.11Å; A654-R657 PolarHBondContact O-N 2.79Å; R657-W659 VanDerWaalsContact C-N 3.3Å; R657-W659 PolarHBondContact O-N 2.86Å; R657-D660 PolarHBondContact O-N 3.07Å; R657-M661 WeakPolarHBondContact O-CB 3.45Å; R657-M661 WeakPolarHBondContact O-CG 3.45Å; R657-M661 PolarHBondContact O-N 3.39Å; R657-A826 PolarHBondContact NH1-O 2.95Å; R657-L827 HydrophobicContact CB-CD2 3.88Å; R657-L827 PolarHBondContact NH2-O 3.32Å; R657-N830 PolarHBondContact NE-OD1 3.23Å; R657-N830 VanDerWaalsContact NH2-CG 3.34Å; R657-N830 VanDerWaalsContact NH2-N 3.1Å; R657-N830 PolarHBondContact NH2-OD1 3.41Å; R657-R831 PolarHBondContact NH1-O 3.43Å |
| 658 | L | 87.2 | Confident | 80.3 | Confident | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -61.7 | -41.6 | 173.8 | -73.9 | 178.5 | 0 | 0 | 0 | 111.5 | L648 A649 A654 A655 G656 M661 S662 L827 | L648-L658 HydrophobicContact CB-CD1 3.71Å; L648-L658 HydrophobicContact CB-CD2 3.74Å; L648-L658 HydrophobicContact CB-CG 4.26Å; L648-L658 HydrophobicContact CD1-CD2 3.69Å; L648-L658 HydrophobicContact CG-CD2 4.38Å; A649-L658 HydrophobicContact CB-CD1 3.52Å; A654-L658 WeakPolarHBondContact O-CB 3.37Å; A654-L658 VanDerWaalsContact O-CG 3.29Å; A654-L658 WeakPolarHBondContact O-CG 3.35Å; A654-L658 PolarHBondContact O-N 2.73Å; A655-L658 PolarHBondContact O-N 2.99Å; G656-L658 VanDerWaalsContact C-N 3.31Å; G656-L658 PolarHBondContact O-N 3.32Å; L658-M661 PolarHBondContact O-N 2.68Å; L658-S662 PolarHBondContact O-N 2.76Å; L658-S662 VanDerWaalsContact O-N 3.11Å; L658-L827 HydrophobicContact CD2-CD1 3.8Å; L658-L827 HydrophobicContact CG-CD1 4.31Å |
| 659 | W | 88.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 57.5 Ų | 57.5 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -60.4 | -45.1 | 172.5 | 176.2 | -106.4 | 0 | 0 | 0 | 111.2 | L517 A520 I521 D524 V634 R637 M638 A655 G656 R657 M661 S662 | L517-W659 HydrophobicContact CD2-CB 4.34Å; A520-W659 HydrophobicContact CB-CB 3.87Å; A520-W659 HydrophobicContact CB-CG 4.08Å; I521-W659 HydrophobicContact CD1-CE3 4.16Å; I521-W659 HydrophobicContact CD1-CH2 4.07Å; I521-W659 HydrophobicContact CD1-CZ2 4.47Å; I521-W659 HydrophobicContact CD1-CZ3 3.88Å; I521-W659 HydrophobicContact CG1-CD2 3.76Å; I521-W659 HydrophobicContact CG1-CE3 3.85Å; I521-W659 HydrophobicContact CG1-CH2 3.78Å; I521-W659 HydrophobicContact CG1-CZ2 3.68Å; I521-W659 HydrophobicContact CG1-CZ3 3.84Å; D524-W659 PolarHBondContact OD2-NE1 3.37Å; V634-W659 HydrophobicContact CG1-CH2 4.13Å; R637-W659 HydrophobicContact CB-CE3 4.27Å; R637-W659 HydrophobicContact CB-CH2 3.58Å; R637-W659 HydrophobicContact CB-CZ2 4.4Å; R637-W659 HydrophobicContact CB-CZ3 3.51Å; R637-W659 VanDerWaalsContact CZ-CE2 3.44Å; R637-W659 VanDerWaalsContact CZ-CZ2 3.48Å; R637-W659 VanDerWaalsContact NH2-CD1 3.34Å; R637-W659 PolarHBondContact NH2-O 3.48Å; M638-W659 HydrophobicContact CG-CH2 4.28Å; M638-W659 HydrophobicContact CG-CZ3 3.94Å; A655-W659 PolarHBondContact O-N 3.38Å; G656-W659 WeakPolarHBondContact O-CA 3.39Å; G656-W659 VanDerWaalsContact O-CB 3.31Å; G656-W659 WeakPolarHBondContact O-CB 3.13Å; G656-W659 PolarHBondContact O-N 3.21Å; G656-W659 VanDerWaalsContact O-N 3.08Å; R657-W659 VanDerWaalsContact C-N 3.3Å; R657-W659 PolarHBondContact O-N 2.86Å; W659-M661 PolarHBondContact O-N 3.14Å; W659-S662 WeakPolarHBondContact O-CB 3.42Å; W659-S662 PolarHBondContact O-N 3.34Å; W659-S662 PolarHBondContact O-OG 2.94Å |
| 660 | D | 86.6 | Confident | 78.6 | Confident | 92 Ų | 92 | 60.3 Ų | 60.3 | 49% | 0.492 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -62 | -44.6 | 178.7 | -61.5 | -28.6 | 0 | 0 | 0 | 112 | G656 R657 S662 A663 | G656-D660 PolarHBondContact O-N 3.35Å; R657-D660 PolarHBondContact O-N 3.07Å; D660-S662 PolarHBondContact O-N 2.77Å; D660-A663 WeakPolarHBondContact O-CB 3.41Å; D660-A663 PolarHBondContact O-N 3.17Å |
| 661 | M | 86.5 | Confident | 78.6 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 3% | 0.03 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -68.6 | -18.9 | -179.7 | -66.1 | 165.6 | 59.2 | 0 | 0 | 113.2 | R657 L658 W659 A663 G664 M823 L827 L847 G849 G852 I853 | R657-M661 WeakPolarHBondContact O-CB 3.45Å; R657-M661 WeakPolarHBondContact O-CG 3.45Å; R657-M661 PolarHBondContact O-N 3.39Å; L658-M661 PolarHBondContact O-N 2.68Å; W659-M661 PolarHBondContact O-N 3.14Å; M661-A663 PolarHBondContact O-N 3.21Å; M661-G664 PolarHBondContact O-N 3.29Å; M661-M823 HydrophobicContact CE-CE 3.63Å; M661-L827 HydrophobicContact SD-CD2 3.74Å; M661-L847 WeakPolarHBondContact CE-O 3.47Å; M661-G849 WeakPolarHBondContact CG-O 3.32Å; M661-G852 VanDerWaalsContact CE-C 3.43Å; M661-G852 VanDerWaalsContact CE-CA 3.43Å; M661-I853 HydrophobicContact CB-CD1 3.83Å; M661-I853 HydrophobicContact CB-CG1 3.88Å; M661-I853 HydrophobicContact CE-CG1 3.67Å; M661-I853 VanDerWaalsContact CE-N 3.3Å |
| 662 | S | 85.4 | Confident | 78.8 | Confident | 8 Ų | 8 | 62.2 Ų | 62.2 | 6% | 0.056 | 32% | 0.319 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -69.8 | -14.2 | 175.6 | 75.6 | 0 | 0 | 0 | 0 | 113.6 | R637 S641 L658 W659 D660 G664 | R637-S662 WeakPolarHBondContact CB-OG 3.4Å; R637-S662 WeakPolarHBondContact CG-OG 3.21Å; R637-S662 PolarHBondContact NE-OG 2.78Å; S641-S662 WeakPolarHBondContact OG-CB 3.36Å; L658-S662 PolarHBondContact O-N 2.76Å; L658-S662 VanDerWaalsContact O-N 3.11Å; W659-S662 WeakPolarHBondContact O-CB 3.42Å; W659-S662 PolarHBondContact O-N 3.34Å; W659-S662 PolarHBondContact O-OG 2.94Å; D660-S662 PolarHBondContact O-N 2.77Å; S662-G664 PolarHBondContact O-N 2.92Å |
| 663 | A | 80.8 | Confident | 79.2 | Confident | 60 Ų | 60 | 60 Ų | 60 | 50% | 0.496 | 31% | 0.307 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72 | -7.7 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D660 M661 | D660-A663 WeakPolarHBondContact O-CB 3.41Å; D660-A663 PolarHBondContact O-N 3.17Å; M661-A663 PolarHBondContact O-N 3.21Å |
| 664 | G | 71.8 | Confident | 79.5 | Confident | 26 Ų | 26 | 56.6 Ų | 56.6 | 27% | 0.268 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -71.6 | 156 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.8 | M661 S662 L666 | M661-G664 PolarHBondContact O-N 3.29Å; S662-G664 PolarHBondContact O-N 2.92Å; G664-L666 PolarHBondContact O-N 3.24Å; G664-L666 VanDerWaalsContact O-N 3.14Å |
| 665 | Q | 66.5 | Low | 79.7 | Confident | 184 Ų | 184 | 58 Ų | 58 | 86% | 0.86 | 29% | 0.294 | S | S | * | . | trans | -73.9 | 102.7 | 175.2 | -69.8 | -176.4 | -10.1 | 0 | 0 | 110.6 | ||||
| 666 | L | 66.4 | Low | 79.9 | Confident | 40 Ų | 40 | 64 Ų | 64 | 21% | 0.209 | 32% | 0.321 | C | S | . | . | trans | -111.3 | 139.8 | 177.3 | -70.7 | 160.7 | 0 | 0 | 0 | 110.3 | L640 G664 I853 E854 I857 | L640-L666 HydrophobicContact CD1-CD1 4.1Å; L640-L666 HydrophobicContact CD2-CD1 3.28Å; L640-L666 HydrophobicContact CG-CD1 4.33Å; G664-L666 PolarHBondContact O-N 3.24Å; G664-L666 VanDerWaalsContact O-N 3.14Å; L666-I853 HydrophobicContact CD1-CB 4.34Å; L666-I853 HydrophobicContact CD1-CG2 3.82Å; L666-I853 HydrophobicContact CD2-CG2 4.02Å; L666-E854 HydrophobicContact CD2-CB 4.02Å; L666-E854 HydrophobicContact CD2-CG 4.45Å; L666-I857 HydrophobicContact CD2-CD1 3.59Å | ||
| 667 | K | 61.8 | Low | 80.2 | Confident | 166 Ų | 166 | 64.3 Ų | 64.3 | 72% | 0.722 | 32% | 0.317 | S | S | * | . | trans | -77.7 | 142.9 | 168.4 | -61.1 | 179.4 | 177.8 | 178.3 | 0 | 109.1 | G669 D670 | K667-G669 PolarHBondContact O-N 3.11Å; K667-D670 WeakPolarHBondContact CB-OD2 3.42Å; K667-D670 PolarHBondContact O-N 2.92Å | ||
| 668 | R | 57.2 | Low | 80.3 | Confident | 237 Ų | 237 | 62.8 Ų | 62.8 | 89% | 0.894 | 31% | 0.311 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.2 | 126.8 | 178.8 | -76.4 | -174.4 | 176.2 | -176.8 | -0.9 | 111 | ||
| 669 | G | 62.7 | Low | 80.4 | Confident | 27 Ų | 27 | 68.1 Ų | 68.1 | 28% | 0.278 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 95.2 | -13.3 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | K667 Y671 Q672 | K667-G669 PolarHBondContact O-N 3.11Å; G669-Y671 PolarHBondContact O-N 3.38Å; G669-Y671 VanDerWaalsContact O-N 3.15Å; G669-Q672 WeakPolarHBondContact O-CB 3.44Å; G669-Q672 VanDerWaalsContact O-CG 3.31Å; G669-Q672 WeakPolarHBondContact O-CG 3.36Å; G669-Q672 PolarHBondContact O-N 3.24Å; G669-Q672 VanDerWaalsContact O-N 3.1Å |
| 670 | D | 73.4 | Confident | 80.6 | Confident | 62 Ų | 62 | 69.4 Ų | 69.4 | 33% | 0.332 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.4 | -28.2 | -175.7 | -73.8 | -9.7 | 0 | 0 | 0 | 113.3 | K667 Q672 L673 I857 | K667-D670 WeakPolarHBondContact CB-OD2 3.42Å; K667-D670 PolarHBondContact O-N 2.92Å; D670-Q672 PolarHBondContact O-N 3.22Å; D670-L673 PolarHBondContact O-N 3.47Å; D670-I857 HydrophobicContact CB-CD1 3.82Å; D670-I857 HydrophobicContact CB-CG1 4.5Å; D670-I857 HydrophobicContact CB-CG2 3.9Å |
| 671 | Y | 82.9 | Confident | 80.7 | Confident | 48 Ų | 48 | 65.2 Ų | 65.2 | 19% | 0.188 | 32% | 0.32 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.2 | -15.6 | 178.5 | 71.8 | -96.5 | 0 | 0 | 0 | 113.9 | L640 Q643 L644 G669 L673 I674 V675 | L640-Y671 HydrophobicContact CD1-CD1 3.65Å; L640-Y671 HydrophobicContact CD1-CG 3.8Å; Q643-Y671 HydrophobicContact CB-CD2 4.26Å; Q643-Y671 HydrophobicContact CB-CE2 3.78Å; Q643-Y671 HydrophobicContact CG-CE2 3.94Å; L644-Y671 HydrophobicContact CD2-CD2 4.42Å; G669-Y671 PolarHBondContact O-N 3.38Å; G669-Y671 VanDerWaalsContact O-N 3.15Å; Y671-L673 PolarHBondContact O-N 3.03Å; Y671-L673 VanDerWaalsContact O-N 3.15Å; Y671-I674 WeakPolarHBondContact O-CB 3.11Å; Y671-I674 PolarHBondContact O-N 3.46Å; Y671-V675 HydrophobicContact CD2-CG2 3.95Å; Y671-V675 HydrophobicContact CE2-CG2 4.33Å; Y671-V675 PolarHBondContact O-N 3.46Å |
| 672 | Q | 87.3 | Confident | 80.6 | Confident | 127 Ų | 127 | 69.7 Ų | 69.7 | 59% | 0.593 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -58.9 | -27.8 | 178.4 | -71.4 | -179.8 | -3.9 | 0 | 0 | 112.6 | G669 D670 V675 K676 | G669-Q672 WeakPolarHBondContact O-CB 3.44Å; G669-Q672 VanDerWaalsContact O-CG 3.31Å; G669-Q672 WeakPolarHBondContact O-CG 3.36Å; G669-Q672 PolarHBondContact O-N 3.24Å; G669-Q672 VanDerWaalsContact O-N 3.1Å; D670-Q672 PolarHBondContact O-N 3.22Å; Q672-V675 PolarHBondContact O-N 3.45Å; Q672-K676 WeakPolarHBondContact O-CB 3.4Å; Q672-K676 PolarHBondContact O-N 3.4Å |
| 673 | L | 89 | Confident | 80.7 | Confident | 54 Ų | 54 | 74.6 Ų | 74.6 | 28% | 0.283 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -64.2 | -41.8 | 173.5 | -77.7 | 170.5 | 0 | 0 | 0 | 111.9 | D670 Y671 V675 K676 Y677 L860 | D670-L673 PolarHBondContact O-N 3.47Å; Y671-L673 PolarHBondContact O-N 3.03Å; Y671-L673 VanDerWaalsContact O-N 3.15Å; L673-V675 VanDerWaalsContact C-N 3.32Å; L673-K676 PolarHBondContact O-N 2.87Å; L673-Y677 VanDerWaalsContact O-CD2 3.27Å; L673-Y677 WeakPolarHBondContact O-CD2 3.31Å; L673-Y677 PolarHBondContact O-N 3.16Å; L673-L860 HydrophobicContact CB-CB 4.44Å |
| 674 | I | 90.4 | Very high | 81 | Confident | 0 Ų | 0 | 72.5 Ų | 72.5 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -63 | -43.7 | 176 | -65.5 | 172.7 | 0 | 0 | 0 | 109.8 | L644 I647 L648 Y671 Y677 G678 L820 I853 A856 I857 L860 | L644-I674 HydrophobicContact CD1-CD1 4.47Å; L644-I674 HydrophobicContact CD2-CB 4Å; L644-I674 HydrophobicContact CD2-CG2 3.67Å; I647-I674 HydrophobicContact CG2-CG2 4.35Å; L648-I674 HydrophobicContact CD1-CG2 4.03Å; L648-I674 HydrophobicContact CG-CG2 4.31Å; Y671-I674 WeakPolarHBondContact O-CB 3.11Å; Y671-I674 PolarHBondContact O-N 3.46Å; I674-Y677 PolarHBondContact O-N 3.28Å; I674-G678 PolarHBondContact O-N 2.97Å; I674-L820 HydrophobicContact CG2-CD1 4.18Å; I674-L820 HydrophobicContact CG2-CD2 4.35Å; I674-I853 HydrophobicContact CD1-CG2 3.93Å; I674-A856 HydrophobicContact CD1-CB 4.27Å; I674-I857 HydrophobicContact CD1-CD1 4.45Å; I674-I857 HydrophobicContact CD1-CG1 3.98Å; I674-I857 HydrophobicContact CG1-CG1 4.26Å; I674-L860 HydrophobicContact CB-CD1 4.41Å; I674-L860 HydrophobicContact CG1-CD1 3.71Å |
| 675 | V | 89.9 | Confident | 81.7 | Confident | 29 Ų | 29 | 74.9 Ų | 74.9 | 18% | 0.176 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -57.6 | -51.8 | 176.2 | 179.1 | 0 | 0 | 0 | 0 | 110.9 | L644 I647 Y671 Q672 L673 Y677 G678 E679 | L644-V675 HydrophobicContact CD2-CG2 4.32Å; I647-V675 HydrophobicContact CD1-CB 4.01Å; I647-V675 HydrophobicContact CD1-CG1 4.14Å; I647-V675 HydrophobicContact CD1-CG2 3.71Å; Y671-V675 HydrophobicContact CD2-CG2 3.95Å; Y671-V675 HydrophobicContact CE2-CG2 4.33Å; Y671-V675 PolarHBondContact O-N 3.46Å; Q672-V675 PolarHBondContact O-N 3.45Å; L673-V675 VanDerWaalsContact C-N 3.32Å; V675-Y677 PolarHBondContact O-N 2.95Å; V675-G678 WeakPolarHBondContact O-CA 3.5Å; V675-G678 PolarHBondContact O-N 3.49Å; V675-G678 VanDerWaalsContact O-N 3.11Å; V675-E679 WeakPolarHBondContact O-CG 3.42Å; V675-E679 PolarHBondContact O-N 3.47Å |
| 676 | K | 91.3 | Very high | 82.6 | Confident | 127 Ų | 127 | 70 Ų | 70 | 55% | 0.552 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -57.4 | -45.3 | 179.2 | -178.9 | -178.4 | 178.5 | 179.1 | 0 | 113.1 | Q672 L673 F680 | Q672-K676 WeakPolarHBondContact O-CB 3.4Å; Q672-K676 PolarHBondContact O-N 3.4Å; L673-K676 PolarHBondContact O-N 2.87Å; K676-F680 WeakPolarHBondContact O-CB 3.45Å; K676-F680 PolarHBondContact O-N 2.78Å |
| 677 | Y | 91.6 | Very high | 83.6 | Confident | 22 Ų | 22 | 68.1 Ų | 68.1 | 9% | 0.086 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -74.8 | -27.4 | 178.1 | -79.3 | -72 | 0 | 0 | 0 | 112.8 | L673 I674 V675 L681 Q813 K816 L860 | L673-Y677 VanDerWaalsContact O-CD2 3.27Å; L673-Y677 WeakPolarHBondContact O-CD2 3.31Å; L673-Y677 PolarHBondContact O-N 3.16Å; I674-Y677 PolarHBondContact O-N 3.28Å; V675-Y677 PolarHBondContact O-N 2.95Å; Y677-L681 VanDerWaalsContact O-CB 3.32Å; Y677-L681 WeakPolarHBondContact O-CB 3.49Å; Y677-L681 PolarHBondContact O-N 2.92Å; Y677-Q813 HydrophobicContact CE1-CB 4.29Å; Y677-Q813 HydrophobicContact CE1-CG 4.2Å; Y677-K816 HydrophobicContact CD1-CB 4.06Å; Y677-K816 HydrophobicContact CE1-CB 3.85Å; Y677-K816 HydrophobicContact CE1-CD 4.02Å; Y677-K816 HydrophobicContact CE2-CD 4.12Å; Y677-K816 WeakPolarHBondContact OH-CD 3.39Å; Y677-L860 HydrophobicContact CD2-CB 4.18Å; Y677-L860 HydrophobicContact CD2-CD1 4.08Å; Y677-L860 HydrophobicContact CD2-CD2 3.66Å; Y677-L860 HydrophobicContact CD2-CG 4.18Å; Y677-L860 HydrophobicContact CE2-CB 4.15Å; Y677-L860 HydrophobicContact CE2-CD2 4.04Å; Y677-L860 HydrophobicContact CG-CD2 4.02Å |
| 678 | G | 89.1 | Confident | 84.8 | Confident | 1 Ų | 1 | 63.1 Ų | 63.1 | 1% | 0.01 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.3 | -45.7 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | I674 V675 L681 N682 | I674-G678 PolarHBondContact O-N 2.97Å; V675-G678 WeakPolarHBondContact O-CA 3.5Å; V675-G678 PolarHBondContact O-N 3.49Å; V675-G678 VanDerWaalsContact O-N 3.11Å; G678-L681 WeakPolarHBondContact O-CB 3.46Å; G678-L681 PolarHBondContact O-N 3.45Å; G678-N682 PolarHBondContact O-N 3.06Å |
| 679 | E | 89.9 | Confident | 86.2 | Confident | 115 Ų | 115 | 59.9 Ų | 59.9 | 54% | 0.537 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -60 | -47.7 | 172.3 | -71.6 | 174.9 | 169.5 | 0 | 0 | 111 | V675 L681 N682 E683 | V675-E679 WeakPolarHBondContact O-CG 3.42Å; V675-E679 PolarHBondContact O-N 3.47Å; E679-L681 VanDerWaalsContact C-N 3.3Å; E679-L681 PolarHBondContact O-N 3.24Å; E679-N682 WeakPolarHBondContact O-CB 3.39Å; E679-N682 PolarHBondContact O-N 3.43Å; E679-N682 VanDerWaalsContact O-N 3.13Å; E679-E683 WeakPolarHBondContact O-CG 3.38Å; E679-E683 PolarHBondContact O-N 3.49Å |
| 680 | F | 91.2 | Very high | 87.4 | Confident | 26 Ų | 26 | 59.2 Ų | 59.2 | 11% | 0.114 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -60.2 | -37.4 | 174.8 | 178.7 | -92.2 | 0 | 0 | 0 | 112.8 | K676 E683 Q684 F810 Q813 A817 | K676-F680 WeakPolarHBondContact O-CB 3.45Å; K676-F680 PolarHBondContact O-N 2.78Å; F680-E683 CarbonylContact O-C 3.56Å; F680-E683 VanDerWaalsContact O-C 3.28Å; F680-E683 WeakPolarHBondContact O-CA 3.31Å; F680-E683 WeakPolarHBondContact O-CB 3.18Å; F680-E683 PolarHBondContact O-N 2.88Å; F680-Q684 HydrophobicContact CD1-CG 4.43Å; F680-Q684 HydrophobicContact CE1-CG 3.99Å; F680-Q684 HydrophobicContact CZ-CG 4.1Å; F680-Q684 WeakPolarHBondContact O-CG 3.47Å; F680-Q684 PolarHBondContact O-N 3.15Å; F680-F810 HydrophobicContact CE2-CD2 4.32Å; F680-F810 AromaticContact CE2-CE2 3.82Å; F680-F810 HydrophobicContact CE2-CE2 3.82Å; F680-F810 HydrophobicContact CZ-CD2 4.1Å; F680-F810 AromaticContact CZ-CE2 3.58Å; F680-F810 HydrophobicContact CZ-CE2 3.58Å; F680-F810 HydrophobicContact CZ-CZ 4.21Å; F680-Q813 HydrophobicContact CE1-CB 3.96Å; F680-Q813 HydrophobicContact CE2-CB 4.28Å; F680-Q813 HydrophobicContact CZ-CB 3.78Å; F680-A817 HydrophobicContact CD1-CB 3.63Å; F680-A817 HydrophobicContact CE1-CB 3.98Å |
| 681 | L | 88.9 | Confident | 88.1 | Confident | 5 Ų | 5 | 56.3 Ų | 56.3 | 3% | 0.026 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -66.4 | -38.3 | 175.4 | 179.3 | 63.9 | 0 | 0 | 0 | 111.8 | Y677 G678 E679 E683 Q684 L687 K688 A817 A821 | Y677-L681 VanDerWaalsContact O-CB 3.32Å; Y677-L681 WeakPolarHBondContact O-CB 3.49Å; Y677-L681 PolarHBondContact O-N 2.92Å; G678-L681 WeakPolarHBondContact O-CB 3.46Å; G678-L681 PolarHBondContact O-N 3.45Å; E679-L681 VanDerWaalsContact C-N 3.3Å; E679-L681 PolarHBondContact O-N 3.24Å; L681-E683 VanDerWaalsContact C-N 3.26Å; L681-E683 PolarHBondContact O-N 2.94Å; L681-Q684 CarbonylContact O-C 3.57Å; L681-Q684 WeakPolarHBondContact O-CA 3.45Å; L681-Q684 PolarHBondContact O-N 3.27Å; L681-L687 HydrophobicContact CD1-CB 4.49Å; L681-L687 HydrophobicContact CD1-CD2 4.1Å; L681-L687 HydrophobicContact CD1-CG 4.37Å; L681-K688 HydrophobicContact CD1-CB 4.43Å; L681-A817 HydrophobicContact CB-CB 4.22Å; L681-A817 HydrophobicContact CD1-CB 4.35Å; L681-A821 HydrophobicContact CD1-CB 3.97Å; L681-A821 HydrophobicContact CD2-CB 3.62Å; L681-A821 HydrophobicContact CG-CB 4.44Å |
| 682 | N | 86.1 | Confident | 88.3 | Confident | 99 Ų | 99 | 57 Ų | 57 | 53% | 0.529 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -64.3 | -35.4 | 172.5 | -71.8 | -23.5 | 0 | 0 | 0 | 111.1 | G678 E679 Q684 | G678-N682 PolarHBondContact O-N 3.06Å; E679-N682 WeakPolarHBondContact O-CB 3.39Å; E679-N682 PolarHBondContact O-N 3.43Å; E679-N682 VanDerWaalsContact O-N 3.13Å; N682-Q684 PolarHBondContact O-N 3.37Å |
| 683 | E | 86.3 | Confident | 88.1 | Confident | 112 Ų | 112 | 55.3 Ų | 55.3 | 52% | 0.523 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.1 | 12.6 | 165.8 | -61.5 | -177.5 | 178.1 | 0 | 0 | 113.2 | E679 F680 L681 R958 | E679-E683 WeakPolarHBondContact O-CG 3.38Å; E679-E683 PolarHBondContact O-N 3.49Å; F680-E683 CarbonylContact O-C 3.56Å; F680-E683 VanDerWaalsContact O-C 3.28Å; F680-E683 WeakPolarHBondContact O-CA 3.31Å; F680-E683 WeakPolarHBondContact O-CB 3.18Å; F680-E683 PolarHBondContact O-N 2.88Å; L681-E683 VanDerWaalsContact C-N 3.26Å; L681-E683 PolarHBondContact O-N 2.94Å; E683-R958 PolarHBondContact O-NH1 3.35Å; E683-R958 PolarHBondContact O-NH2 3.28Å |
| 684 | Q | 87.3 | Confident | 87.9 | Confident | 15 Ų | 15 | 52.8 Ų | 52.8 | 7% | 0.07 | 25% | 0.248 | C | C | . | . | trans | -142.2 | 72.7 | 174.9 | -62.3 | -59.1 | -30.8 | 0 | 0 | 111.4 | F680 L681 N682 E686 L687 K688 R958 | F680-Q684 HydrophobicContact CD1-CG 4.43Å; F680-Q684 HydrophobicContact CE1-CG 3.99Å; F680-Q684 HydrophobicContact CZ-CG 4.1Å; F680-Q684 WeakPolarHBondContact O-CG 3.47Å; F680-Q684 PolarHBondContact O-N 3.15Å; L681-Q684 CarbonylContact O-C 3.57Å; L681-Q684 WeakPolarHBondContact O-CA 3.45Å; L681-Q684 PolarHBondContact O-N 3.27Å; N682-Q684 PolarHBondContact O-N 3.37Å; Q684-E686 VanDerWaalsContact C-N 3.3Å; Q684-E686 PolarHBondContact O-N 3.27Å; Q684-L687 HydrophobicContact CB-CB 3.83Å; Q684-L687 HydrophobicContact CB-CD2 4.35Å; Q684-L687 VanDerWaalsContact O-CB 3.31Å; Q684-L687 WeakPolarHBondContact O-CB 3.43Å; Q684-L687 PolarHBondContact O-N 2.9Å; Q684-K688 PolarHBondContact O-N 3.44Å; Q684-K688 VanDerWaalsContact O-N 3.15Å; Q684-R958 VanDerWaalsContact CD-NH2 3.3Å | ||
| 685 | P | 85.5 | Confident | 87.3 | Confident | 76 Ų | 76 | 52.9 Ų | 52.9 | 49% | 0.494 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -63.3 | -31 | -174.9 | 24.2 | -34.4 | 0 | 0 | 0 | 113.9 | L687 K688 R689 | P685-L687 VanDerWaalsContact C-N 3.29Å; P685-L687 PolarHBondContact O-N 3.08Å; P685-K688 PolarHBondContact O-N 3.12Å; P685-R689 WeakPolarHBondContact O-CB 3.24Å; P685-R689 PolarHBondContact O-N 3.43Å |
| 686 | E | 86.4 | Confident | 86.3 | Confident | 82 Ų | 82 | 59.4 Ų | 59.4 | 38% | 0.383 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -63 | -37.2 | 173.6 | -70.2 | -176.8 | -167.6 | 0 | 0 | 111.9 | Q684 R689 L690 F944 R954 | Q684-E686 VanDerWaalsContact C-N 3.3Å; Q684-E686 PolarHBondContact O-N 3.27Å; E686-R689 PolarHBondContact O-N 2.98Å; E686-L690 WeakPolarHBondContact O-CB 3.43Å; E686-L690 PolarHBondContact O-N 3.24Å; E686-F944 HydrophobicContact CB-CE2 4.1Å; E686-R954 IonicContact OE1-NE 3.62Å; E686-R954 WeakPolarHBondContact OE2-CD 3.48Å; E686-R954 IonicContact OE2-CZ 2.64Å; E686-R954 IonicContact OE2-NE 3.18Å; E686-R954 PolarHBondContact OE2-NE 2.95Å; E686-R954 IonicContact OE2-NH2 3.88Å |
| 687 | L | 87 | Confident | 84.7 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -69.8 | -42.2 | 177.8 | -167.9 | 67.4 | 0 | 0 | 0 | 110.8 | L681 Q684 P685 L690 A691 C814 A817 F818 F944 | L681-L687 HydrophobicContact CD1-CB 4.49Å; L681-L687 HydrophobicContact CD1-CD2 4.1Å; L681-L687 HydrophobicContact CD1-CG 4.37Å; Q684-L687 HydrophobicContact CB-CB 3.83Å; Q684-L687 HydrophobicContact CB-CD2 4.35Å; Q684-L687 VanDerWaalsContact O-CB 3.31Å; Q684-L687 WeakPolarHBondContact O-CB 3.43Å; Q684-L687 PolarHBondContact O-N 2.9Å; P685-L687 VanDerWaalsContact C-N 3.29Å; P685-L687 PolarHBondContact O-N 3.08Å; L687-L690 PolarHBondContact O-N 3.21Å; L687-A691 PolarHBondContact O-N 3.48Å; L687-C814 HydrophobicContact CD2-CB 4.41Å; L687-C814 WeakPolarHBondContact CD2-O 3.37Å; L687-A817 HydrophobicContact CD2-CB 3.99Å; L687-F818 HydrophobicContact CD1-CB 4.02Å; L687-F818 HydrophobicContact CD1-CD2 3.67Å; L687-F818 HydrophobicContact CD1-CG 4.22Å; L687-F818 HydrophobicContact CD2-CB 4.25Å; L687-F818 HydrophobicContact CG-CB 4.19Å; L687-F818 HydrophobicContact CG-CD2 3.97Å; L687-F944 HydrophobicContact CB-CE2 3.96Å; L687-F944 HydrophobicContact CB-CZ 4.09Å; L687-F944 HydrophobicContact CD1-CD1 4.26Å; L687-F944 HydrophobicContact CD1-CD2 4.08Å; L687-F944 HydrophobicContact CD1-CE1 4.17Å; L687-F944 HydrophobicContact CD1-CE2 4Å; L687-F944 HydrophobicContact CD1-CG 4.2Å; L687-F944 HydrophobicContact CD1-CZ 4.02Å |
| 688 | K | 87.1 | Confident | 83 | Confident | 61 Ų | 61 | 56.9 Ų | 56.9 | 27% | 0.265 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -60.1 | -44.7 | 173 | 177.4 | 169 | 170.5 | 162.6 | 0 | 111.4 | L681 Q684 P685 L690 A691 E692 R824 | L681-K688 HydrophobicContact CD1-CB 4.43Å; Q684-K688 PolarHBondContact O-N 3.44Å; Q684-K688 VanDerWaalsContact O-N 3.15Å; P685-K688 PolarHBondContact O-N 3.12Å; K688-L690 VanDerWaalsContact C-N 3.34Å; K688-L690 PolarHBondContact O-N 3.41Å; K688-A691 WeakPolarHBondContact O-CB 3.25Å; K688-A691 PolarHBondContact O-N 3Å; K688-E692 WeakPolarHBondContact CE-OE1 3.46Å; K688-E692 WeakPolarHBondContact CG-OE1 3.39Å; K688-E692 WeakPolarHBondContact O-CG 3.28Å; K688-E692 PolarHBondContact O-N 3.48Å; K688-R824 VanDerWaalsContact CD-NH2 3.29Å |
| 689 | R | 87.2 | Confident | 80.8 | Confident | 169 Ų | 169 | 65.6 Ų | 65.6 | 64% | 0.638 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -63.6 | -38.2 | 177.4 | -168.9 | 173.8 | -173.5 | 155.3 | 2.6 | 112.5 | P685 E686 E692 Q693 | P685-R689 WeakPolarHBondContact O-CB 3.24Å; P685-R689 PolarHBondContact O-N 3.43Å; E686-R689 PolarHBondContact O-N 2.98Å; R689-E692 PolarHBondContact O-N 2.93Å; R689-Q693 WeakPolarHBondContact O-CB 3.41Å; R689-Q693 VanDerWaalsContact O-CG 3.29Å; R689-Q693 WeakPolarHBondContact O-CG 3.44Å; R689-Q693 PolarHBondContact O-N 3.04Å |
| 690 | L | 87.5 | Confident | 78.5 | Confident | 13 Ų | 13 | 63.3 Ų | 63.3 | 7% | 0.068 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -63.4 | -42.9 | 175 | -163.4 | 158.4 | 0 | 0 | 0 | 110.8 | E686 L687 K688 Q693 L694 F818 V924 W942 F944 | E686-L690 WeakPolarHBondContact O-CB 3.43Å; E686-L690 PolarHBondContact O-N 3.24Å; L687-L690 PolarHBondContact O-N 3.21Å; K688-L690 VanDerWaalsContact C-N 3.34Å; K688-L690 PolarHBondContact O-N 3.41Å; L690-Q693 PolarHBondContact O-N 3.48Å; L690-L694 WeakPolarHBondContact O-CB 3.34Å; L690-L694 PolarHBondContact O-N 2.97Å; L690-F818 HydrophobicContact CB-CE2 4.23Å; L690-F818 HydrophobicContact CD2-CD2 4.37Å; L690-F818 HydrophobicContact CD2-CE2 3.3Å; L690-F818 HydrophobicContact CD2-CZ 3.46Å; L690-F818 VanDerWaalsContact CD2-CZ 3.46Å; L690-F818 HydrophobicContact CG-CE2 4.32Å; L690-V924 HydrophobicContact CD2-CG1 4.47Å; L690-V924 HydrophobicContact CD2-CG2 4.37Å; L690-W942 HydrophobicContact CD1-CB 3.98Å; L690-W942 HydrophobicContact CD2-CB 3.77Å; L690-W942 HydrophobicContact CD2-CD2 4.37Å; L690-W942 HydrophobicContact CD2-CG 4.04Å; L690-W942 HydrophobicContact CG-CB 4.05Å; L690-W942 HydrophobicContact CG-CE3 4.32Å; L690-W942 HydrophobicContact CG-CG 4.5Å; L690-F944 HydrophobicContact CD1-CB 4.2Å |
| 691 | A | 88.3 | Confident | 75.8 | Confident | 1 Ų | 1 | 70.5 Ų | 70.5 | 1% | 0.008 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -63.8 | -43.6 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | L687 K688 Q693 L694 G695 F818 A821 L822 I825 | L687-A691 PolarHBondContact O-N 3.48Å; K688-A691 WeakPolarHBondContact O-CB 3.25Å; K688-A691 PolarHBondContact O-N 3Å; A691-Q693 PolarHBondContact O-N 3.04Å; A691-L694 PolarHBondContact O-N 3.17Å; A691-G695 PolarHBondContact O-N 2.86Å; A691-F818 HydrophobicContact CB-CD2 4.12Å; A691-F818 HydrophobicContact CB-CE2 3.68Å; A691-F818 HydrophobicContact CB-CZ 4.37Å; A691-A821 HydrophobicContact CB-CB 3.61Å; A691-L822 HydrophobicContact CB-CD2 4.18Å; A691-I825 VanDerWaalsContact C-CD1 3.47Å; A691-I825 HydrophobicContact CB-CD1 4.03Å; A691-I825 VanDerWaalsContact O-CD1 3.29Å; A691-I825 WeakPolarHBondContact O-CD1 3.4Å |
| 692 | E | 86.8 | Confident | 73.4 | Confident | 64 Ų | 64 | 75.1 Ų | 75.1 | 30% | 0.299 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -62.3 | -41.3 | 175.9 | -72.3 | 169 | -170.4 | 0 | 0 | 112.3 | K688 R689 G695 R696 I825 | K688-E692 WeakPolarHBondContact CE-OE1 3.46Å; K688-E692 WeakPolarHBondContact CG-OE1 3.39Å; K688-E692 WeakPolarHBondContact O-CG 3.28Å; K688-E692 PolarHBondContact O-N 3.48Å; R689-E692 PolarHBondContact O-N 2.93Å; E692-G695 PolarHBondContact O-N 3.21Å; E692-R696 WeakPolarHBondContact O-CB 3.4Å; E692-R696 VanDerWaalsContact O-CG 3.26Å; E692-R696 WeakPolarHBondContact O-CG 3.47Å; E692-R696 PolarHBondContact O-N 3.23Å; E692-I825 HydrophobicContact CG-CD1 4.47Å |
| 693 | Q | 84.5 | Confident | 71.3 | Confident | 91 Ų | 91 | 76.8 Ų | 76.8 | 43% | 0.425 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -65.2 | -42.3 | 176.3 | -75.9 | 177.4 | -23.5 | 0 | 0 | 112.2 | R689 L690 A691 G695 R696 S697 W942 | R689-Q693 WeakPolarHBondContact O-CB 3.41Å; R689-Q693 VanDerWaalsContact O-CG 3.29Å; R689-Q693 WeakPolarHBondContact O-CG 3.44Å; R689-Q693 PolarHBondContact O-N 3.04Å; L690-Q693 PolarHBondContact O-N 3.48Å; A691-Q693 PolarHBondContact O-N 3.04Å; Q693-G695 VanDerWaalsContact C-N 3.33Å; Q693-R696 PolarHBondContact O-N 3.02Å; Q693-S697 PolarHBondContact O-N 2.94Å; Q693-W942 HydrophobicContact CB-CH2 3.8Å; Q693-W942 HydrophobicContact CB-CZ3 3.7Å |
| 694 | L | 83.9 | Confident | 69.1 | Low | 0 Ų | 0 | 75.8 Ų | 75.8 | 0% | 0 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -61.9 | -44.6 | 175 | -168.3 | 151.4 | 0 | 0 | 0 | 110.4 | L690 A691 R696 S697 F797 F818 L822 V892 H922 W942 | L690-L694 WeakPolarHBondContact O-CB 3.34Å; L690-L694 PolarHBondContact O-N 2.97Å; A691-L694 PolarHBondContact O-N 3.17Å; L694-R696 VanDerWaalsContact C-N 3.34Å; L694-R696 PolarHBondContact O-N 3.19Å; L694-S697 WeakPolarHBondContact O-CB 3.36Å; L694-S697 PolarHBondContact O-N 3.25Å; L694-S697 PolarHBondContact O-OG 3.36Å; L694-F797 HydrophobicContact CD2-CD1 4.03Å; L694-F797 HydrophobicContact CD2-CE1 3.55Å; L694-F797 HydrophobicContact CD2-CZ 4.44Å; L694-F818 HydrophobicContact CD1-CZ 4.22Å; L694-L822 HydrophobicContact CD2-CD2 4.01Å; L694-V892 HydrophobicContact CD1-CB 4.46Å; L694-V892 HydrophobicContact CD1-CG1 3.78Å; L694-V892 HydrophobicContact CD1-CG2 3.79Å; L694-V892 HydrophobicContact CD2-CG2 3.81Å; L694-V892 HydrophobicContact CG-CG2 4.39Å; L694-H922 HydrophobicContact CD1-CB 4.14Å; L694-W942 HydrophobicContact CB-CZ2 4.41Å |
| 695 | G | 77.2 | Confident | 67.2 | Low | 2 Ų | 2 | 85.4 Ų | 85.4 | 2% | 0.021 | 42% | 0.415 | C | S | . | . | H | α-helix | trans | -61.9 | -34.6 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | A691 E692 Q693 R794 R831 | A691-G695 PolarHBondContact O-N 2.86Å; E692-G695 PolarHBondContact O-N 3.21Å; Q693-G695 VanDerWaalsContact C-N 3.33Å; G695-R794 PolarHBondContact O-NH1 3.49Å; G695-R831 PolarHBondContact O-NH1 3.47Å |
| 696 | R | 69.3 | Low | 65.4 | Low | 166 Ų | 166 | 89.5 Ų | 89.5 | 63% | 0.626 | 43% | 0.432 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.2 | -5.5 | -179.2 | -71.6 | 176.9 | -170.8 | -166.2 | 4.5 | 115.5 | E692 Q693 L694 R698 | E692-R696 WeakPolarHBondContact O-CB 3.4Å; E692-R696 VanDerWaalsContact O-CG 3.26Å; E692-R696 WeakPolarHBondContact O-CG 3.47Å; E692-R696 PolarHBondContact O-N 3.23Å; Q693-R696 PolarHBondContact O-N 3.02Å; L694-R696 VanDerWaalsContact C-N 3.34Å; L694-R696 PolarHBondContact O-N 3.19Å; R696-R698 PolarHBondContact O-N 2.98Å |
| 697 | S | 58.4 | Low | 63.5 | Low | 36 Ų | 36 | 93 Ų | 93 | 25% | 0.252 | 45% | 0.454 | S | S | . | . | trans | -65.5 | -3.5 | -168.5 | 62.8 | 0 | 0 | 0 | 0 | 116.3 | Q693 L694 R920 | Q693-S697 PolarHBondContact O-N 2.94Å; L694-S697 WeakPolarHBondContact O-CB 3.36Å; L694-S697 PolarHBondContact O-N 3.25Å; L694-S697 PolarHBondContact O-OG 3.36Å; S697-R920 VanDerWaalsContact C-NH1 3.35Å; S697-R920 PolarHBondContact O-NH1 2.74Å; S697-R920 PolarHBondContact OG-NH1 3.17Å; S697-R920 PolarHBondContact OG-NH2 2.71Å | ||
| 698 | R | 56.2 | Low | 61.7 | Low | 61 Ų | 61 | 94.2 Ų | 94.2 | 23% | 0.23 | 46% | 0.464 | C | S | . | . | trans | -94.8 | 96.6 | 168.4 | -103.7 | -174.7 | -176.9 | -172.3 | 8.1 | 109.8 | R696 P793 R794 G795 D888 | R696-R698 PolarHBondContact O-N 2.98Å; R698-P793 PolarHBondContact NH1-O 3.18Å; R698-R794 HydrophobicContact CB-CG 4.25Å; R698-G795 VanDerWaalsContact NH1-N 3.15Å; R698-D888 IonicContact CZ-OD2 3.18Å; R698-D888 VanDerWaalsContact CZ-OD2 3.3Å; R698-D888 IonicContact NH1-OD2 3.94Å; R698-D888 PolarHBondContact NH1-OD2 3.01Å; R698-D888 VanDerWaalsContact NH2-CB 3.27Å; R698-D888 PolarHBondContact NH2-O 3.26Å; R698-D888 VanDerWaalsContact NH2-O 3.15Å; R698-D888 IonicContact NH2-OD2 2.78Å; R698-D888 PolarHBondContact NH2-OD2 3.1Å | ||
| 699 | E | 41.1 | Very low | 59.9 | Low | 183 Ų | 183 | 99.5 Ų | 99.5 | 86% | 0.855 | 49% | 0.489 | S | S | * | . | trans | -85.8 | 124.7 | 148.3 | -83.8 | -176.3 | 171.8 | 0 | 0 | 107.2 | K701 | E699-K701 PolarHBondContact O-N 2.97Å; E699-K701 VanDerWaalsContact O-N 3.14Å | ||
| 700 | A | 41.6 | Very low | 58.5 | Low | 68 Ų | 68 | 97 Ų | 97 | 56% | 0.562 | 49% | 0.486 | S | S | * | . | trans | -58.1 | 113.6 | -170.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 701 | K | 36.3 | Very low | 57.3 | Low | 176 Ų | 176 | 101.3 Ų | 101.3 | 77% | 0.765 | 51% | 0.506 | S | S | * | . | trans | -90 | 110.3 | 160 | -75.8 | -174 | 178.5 | 178.5 | 0 | 107.4 | E699 I703 | E699-K701 PolarHBondContact O-N 2.97Å; E699-K701 VanDerWaalsContact O-N 3.14Å; K701-I703 PolarHBondContact O-N 3.31Å; K701-I703 VanDerWaalsContact O-N 3.11Å | ||
| 702 | S | 38.2 | Very low | 56.2 | Low | 102 Ų | 102 | 105 Ų | 105 | 71% | 0.713 | 53% | 0.528 | S | S | * | . | trans | -60.5 | 110.4 | 169.7 | 57.2 | 0 | 0 | 0 | 0 | 109 | ||||
| 703 | I | 42 | Very low | 55.2 | Low | 135 Ų | 135 | 105.6 Ų | 105.6 | 69% | 0.692 | 53% | 0.53 | S | S | * | . | trans | -93.5 | 115.1 | 172.6 | -58.9 | 167.2 | 0 | 0 | 0 | 106.6 | K701 R705 | K701-I703 PolarHBondContact O-N 3.31Å; K701-I703 VanDerWaalsContact O-N 3.11Å; I703-R705 PolarHBondContact O-N 3.01Å | ||
| 704 | P | 40.1 | Very low | 54.5 | Low | 91 Ų | 91 | 109 Ų | 109 | 59% | 0.591 | 54% | 0.539 | S | S | * | . | trans | -63.6 | 123.2 | 172.8 | -13.9 | 28.1 | 0 | 0 | 0 | 108.8 | N706 | P704-N706 PolarHBondContact O-N 3.23Š| ||
| 705 | R | 46.3 | Very low | 53.5 | Low | 217 Ų | 217 | 111.3 Ų | 111.3 | 82% | 0.819 | 55% | 0.553 | S | S | * | * | trans | -69.9 | 126.8 | 171.6 | -82.1 | -179.4 | 165.4 | 175.7 | -2.9 | 108.7 | I703 D707 A708 | I703-R705 PolarHBondContact O-N 3.01Å; R705-D707 PolarHBondContact O-N 3.49Å; R705-A708 PolarHBondContact O-N 2.98Å | ||
| 706 | N | 47.2 | Very low | 52.7 | Low | 162 Ų | 162 | 116.4 Ų | 116.4 | 87% | 0.866 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.1 | -18.6 | 176.8 | -76 | -11.1 | 0 | 0 | 0 | 113.2 | P704 | P704-N706 PolarHBondContact O-N 3.23Š|
| 707 | D | 46.5 | Very low | 52.3 | Low | 156 Ų | 156 | 111 Ų | 111 | 83% | 0.834 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110 | 25.2 | -175 | -50.2 | -23.6 | 0 | 0 | 0 | 112.2 | R705 Q709 | R705-D707 PolarHBondContact O-N 3.49Å; D707-Q709 PolarHBondContact O-N 3.31Å |
| 708 | A | 49.7 | Very low | 52.1 | Low | 25 Ų | 25 | 117.6 Ų | 117.6 | 21% | 0.207 | 58% | 0.583 | C | S | . | * | P | Polyproline II helix | trans | -64.6 | 128.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 109.9 | R705 M710 P783 V784 | R705-A708 PolarHBondContact O-N 2.98Å; A708-M710 PolarHBondContact O-N 2.79Å; A708-P783 HydrophobicContact CB-CB 3.89Å; A708-V784 HydrophobicContact CB-CB 4.5Å; A708-V784 WeakPolarHBondContact CB-O 3.18Å |
| 709 | Q | 49.3 | Very low | 51.9 | Low | 171 Ų | 171 | 119.4 Ų | 119.4 | 80% | 0.799 | 59% | 0.593 | S | S | * | * | P | Polyproline II helix | trans | -51.7 | 140.3 | 175.2 | -77.9 | -177 | -14.9 | 0 | 0 | 109.9 | D707 E711 V784 | D707-Q709 PolarHBondContact O-N 3.31Å; Q709-E711 PolarHBondContact O-N 2.98Å; Q709-V784 VanDerWaalsContact O-CG2 3.31Å; Q709-V784 WeakPolarHBondContact O-CG2 3.4Å; Q709-V784 PolarHBondContact O-N 3.34Å |
| 710 | M | 58.5 | Low | 52.1 | Low | 118 Ų | 118 | 115.6 Ų | 115.6 | 58% | 0.581 | 59% | 0.585 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -71.9 | 120.5 | 177.8 | -67.4 | -65.7 | -168.2 | 0 | 0 | 108.9 | A708 E781 R782 P783 | A708-M710 PolarHBondContact O-N 2.79Å; M710-E781 HydrophobicContact CB-CB 4.08Å; M710-E781 HydrophobicContact CB-CG 4.42Å; M710-R782 WeakPolarHBondContact CA-O 3.29Å; M710-R782 VanDerWaalsContact SD-C 3.54Å; M710-P783 HydrophobicContact SD-CB 4.48Å; M710-P783 VanDerWaalsContact SD-N 3.43Å |
| 711 | E | 61.6 | Low | 52.4 | Low | 103 Ų | 103 | 113.5 Ų | 113.5 | 48% | 0.481 | 57% | 0.568 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -98.2 | 141 | 169 | -178.4 | -178.6 | -162.6 | 0 | 0 | 109.6 | Q709 F713 E781 R782 V784 | Q709-E711 PolarHBondContact O-N 2.98Å; E711-F713 PolarHBondContact O-N 3.29Å; E711-E781 WeakPolarHBondContact O-CA 3.46Å; E711-R782 PolarHBondContact N-O 3.03Å; E711-R782 PolarHBondContact O-N 3.24Å; E711-R782 VanDerWaalsContact O-N 3.07Å; E711-V784 HydrophobicContact CB-CG2 3.5Å; E711-V784 VanDerWaalsContact CB-CG2 3.5Å |
| 712 | T | 65.5 | Low | 52.9 | Low | 78 Ų | 78 | 111.9 Ų | 111.9 | 48% | 0.479 | 57% | 0.573 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -71.9 | 97.3 | 174.8 | 48 | 0 | 0 | 0 | 0 | 110 | V779 E781 | T712-V779 HydrophobicContact CG2-CG1 4.03Å; T712-E781 HydrophobicContact CG2-CG 4.09Å |
| 713 | F | 67 | Low | 53.5 | Low | 77 Ų | 77 | 112.3 Ų | 112.3 | 34% | 0.338 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -92.7 | 116.4 | 179.5 | -170.9 | -112 | 0 | 0 | 0 | 110.8 | E711 T715 I780 R782 | E711-F713 PolarHBondContact O-N 3.29Å; F713-T715 WeakPolarHBondContact CD1-OG1 3.5Å; F713-T715 WeakPolarHBondContact CE1-OG1 3.4Å; F713-T715 PolarHBondContact O-N 2.91Å; F713-I780 WeakPolarHBondContact CA-O 3.35Å; F713-I780 WeakPolarHBondContact CB-O 3.34Å; F713-I780 PolarHBondContact N-O 3.2Å; F713-I780 PolarHBondContact O-N 3.12Å; F713-R782 HydrophobicContact CB-CG 3.89Å; F713-R782 HydrophobicContact CG-CG 4.46Å; F713-R782 VanDerWaalsContact CG-CZ 3.44Å; F713-R782 VanDerWaalsContact CG-NE 3.34Å |
| 714 | R | 69.1 | Low | 54.1 | Low | 163 Ų | 163 | 108.9 Ų | 108.9 | 62% | 0.615 | 56% | 0.557 | S | S | * | * | E | Extended strand (participates in β ladder) | trans | -86.3 | 110.4 | 179.6 | -53.8 | -169.5 | -171.5 | 178.6 | -2.6 | 109.6 | E777 V779 | R714-E777 HydrophobicContact CB-CG 4Å; R714-E777 WeakPolarHBondContact CB-OE1 3.43Å; R714-E777 WeakPolarHBondContact CD-OE1 3.48Å; R714-E777 IonicContact NH1-OE1 3.62Å; R714-V779 HydrophobicContact CG-CG2 4.26Å |
| 715 | T | 62.1 | Low | 55 | Low | 47 Ų | 47 | 112.7 Ų | 112.7 | 29% | 0.288 | 57% | 0.567 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -114.4 | 131.8 | 177.1 | -61.7 | 0 | 0 | 0 | 0 | 109.5 | F713 V717 K778 | F713-T715 WeakPolarHBondContact CD1-OG1 3.5Å; F713-T715 WeakPolarHBondContact CE1-OG1 3.4Å; F713-T715 PolarHBondContact O-N 2.91Å; T715-V717 HydrophobicContact CG2-CG2 4.31Å; T715-V717 PolarHBondContact O-N 2.83Å; T715-V717 VanDerWaalsContact O-N 3.15Å; T715-K778 PolarHBondContact N-O 3.31Å; T715-K778 PolarHBondContact O-N 3.36Å; T715-K778 VanDerWaalsContact O-O 3.13Å |
| 716 | M | 61.6 | Low | 56 | Low | 109 Ų | 109 | 109.3 Ų | 109.3 | 54% | 0.537 | 56% | 0.561 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -68.7 | 110.4 | 170.1 | -68.7 | -67.9 | -83.6 | 0 | 0 | 108.9 | W775 E777 | M716-W775 HydrophobicContact CB-CE3 4.31Å; M716-W775 HydrophobicContact CE-CB 3.7Å; M716-E777 HydrophobicContact SD-CB 4.06Å |
| 717 | V | 61 | Low | 57.5 | Low | 53 Ų | 53 | 105 Ų | 105 | 32% | 0.321 | 54% | 0.54 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.5 | 134.6 | 176.7 | 176.6 | 0 | 0 | 0 | 0 | 108.5 | T715 E719 R776 K778 | T715-V717 HydrophobicContact CG2-CG2 4.31Å; T715-V717 PolarHBondContact O-N 2.83Å; T715-V717 VanDerWaalsContact O-N 3.15Å; V717-E719 PolarHBondContact O-N 3.37Å; V717-R776 PolarHBondContact N-O 3.28Å; V717-R776 PolarHBondContact O-N 3.32Å; V717-R776 VanDerWaalsContact O-O 3.05Å; V717-K778 HydrophobicContact CB-CB 3.92Å; V717-K778 HydrophobicContact CB-CD 4.37Å; V717-K778 HydrophobicContact CG2-CB 3.48Å; V717-K778 VanDerWaalsContact CG2-CB 3.48Å; V717-K778 HydrophobicContact CG2-CD 3.81Å; V717-K778 HydrophobicContact CG2-CG 4.26Å |
| 718 | R | 54.3 | Low | 58.8 | Low | 175 Ų | 175 | 102 Ų | 102 | 66% | 0.66 | 52% | 0.524 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -65.7 | 118.5 | 173.3 | -70.3 | 178.2 | 165.1 | -174.3 | -7.2 | 108.5 | W775 | R718-W775 HydrophobicContact CG-CD2 4.14Å; R718-W775 HydrophobicContact CG-CE3 3.73Å; R718-W775 HydrophobicContact CG-CH2 3.66Å; R718-W775 HydrophobicContact CG-CZ2 4.01Å; R718-W775 HydrophobicContact CG-CZ3 3.47Å; R718-W775 VanDerWaalsContact CG-CZ3 3.47Å; R718-W775 VanDerWaalsContact NE-CZ2 3.34Å |
| 719 | E | 51 | Low | 60.6 | Low | 98 Ų | 98 | 102.5 Ų | 102.5 | 46% | 0.458 | 53% | 0.531 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122 | 134.4 | 176.5 | -148.6 | 173.4 | -159.8 | 0 | 0 | 108.6 | V717 A721 S774 R776 | V717-E719 PolarHBondContact O-N 3.37Å; E719-A721 PolarHBondContact O-N 3.15Å; E719-A721 VanDerWaalsContact O-N 3.1Å; E719-S774 CarbonylContact C-O 3.47Å; E719-S774 PolarHBondContact N-O 2.9Å; E719-S774 CarbonylContact O-C 3.47Å; E719-S774 PolarHBondContact O-N 3.28Å; E719-S774 VanDerWaalsContact O-N 3.12Å; E719-S774 PolarHBondContact O-OG 3.22Å; E719-R776 VanDerWaalsContact OE2-CD 3.29Å; E719-R776 WeakPolarHBondContact OE2-CD 3.42Å |
| 720 | P | 44.9 | Very low | 62.5 | Low | 104 Ų | 104 | 98.1 Ų | 98.1 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -56 | 121.7 | 179.1 | -20.1 | 30.2 | 0 | 0 | 0 | 110.1 | T722 G772 | P720-T722 PolarHBondContact O-N 2.8Å; P720-G772 CarbonylContact C-O 3.47Å |
| 721 | A | 48.1 | Very low | 63.9 | Low | 24 Ų | 24 | 95.7 Ų | 95.7 | 20% | 0.198 | 50% | 0.5 | C | S | . | . | trans | -61.7 | 134.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 109.6 | E719 V723 G772 S774 | E719-A721 PolarHBondContact O-N 3.15Å; E719-A721 VanDerWaalsContact O-N 3.1Å; A721-V723 PolarHBondContact O-N 3.26Å; A721-G772 PolarHBondContact N-O 3.03Å; A721-S774 VanDerWaalsContact CA-OG 3.3Å; A721-S774 WeakPolarHBondContact CA-OG 3.1Å; A721-S774 PolarHBondContact N-OG 2.7Å | ||
| 722 | T | 47.6 | Very low | 65.3 | Low | 142 Ų | 142 | 95.8 Ų | 95.8 | 87% | 0.871 | 50% | 0.501 | S | S | * | . | S | Bend | trans | -68.3 | -9 | 171.4 | 19.7 | 0 | 0 | 0 | 0 | 113.2 | P720 | P720-T722 PolarHBondContact O-N 2.8Š|
| 723 | V | 49.4 | Very low | 66.3 | Low | 110 Ų | 110 | 93.1 Ų | 93.1 | 67% | 0.667 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -104.3 | 114.2 | -179.3 | -152.1 | 0 | 0 | 0 | 0 | 109 | A721 | A721-V723 PolarHBondContact O-N 3.26Š|
| 724 | P | 55.1 | Low | 67.2 | Low | 63 Ų | 63 | 92.9 Ų | 92.9 | 41% | 0.409 | 49% | 0.487 | S | S | . | . | trans | -87.1 | 129.1 | -164.7 | 30.6 | -33.2 | 0 | 0 | 0 | 114.2 | L770 | P724-L770 HydrophobicContact CB-CB 3.52Å; P724-L770 HydrophobicContact CB-CD1 3.16Å; P724-L770 HydrophobicContact CB-CD2 4.22Å; P724-L770 HydrophobicContact CB-CG 3.77Å; P724-L770 HydrophobicContact CG-CD1 3.58Å | ||
| 725 | E | 58.4 | Low | 68.1 | Low | 172 Ų | 172 | 87.1 Ų | 87.1 | 80% | 0.804 | 47% | 0.469 | S | S | * | . | trans | -105.5 | -34.1 | -179.1 | -66.4 | -172.6 | 160.8 | 0 | 0 | 113.6 | H771 | E725-H771 PolarHBondContact N-O 2.98Š| ||
| 726 | Q | 68.7 | Low | 69.1 | Low | 146 Ų | 146 | 89.6 Ų | 89.6 | 68% | 0.682 | 48% | 0.479 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -148.9 | 148.5 | -178.3 | -171.6 | 173.9 | -6.7 | 0 | 0 | 112.5 | L770 H771 | Q726-L770 CarbonylContact O-C 3.53Å; Q726-L770 WeakPolarHBondContact O-CA 3.15Å; Q726-H771 PolarHBondContact N-O 3.03Å; Q726-H771 PolarHBondContact O-N 3.49Å |
| 727 | V | 78.1 | Confident | 70.1 | Confident | 72 Ų | 72 | 92.3 Ų | 92.3 | 44% | 0.436 | 50% | 0.495 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.1 | 120.6 | 169.7 | 178.4 | 0 | 0 | 0 | 0 | 109.5 | Y768 R769 L770 | V727-Y768 HydrophobicContact CG1-CD1 3.7Å; V727-Y768 HydrophobicContact CG1-CG 4.26Å; V727-R769 CarbonylContact C-O 3.57Å; V727-R769 WeakPolarHBondContact CA-O 3.27Å; V727-L770 HydrophobicContact CB-CD2 4.31Å; V727-L770 HydrophobicContact CG2-CD2 3.57Å |
| 728 | D | 74.8 | Confident | 71.3 | Confident | 93 Ų | 93 | 93.4 Ų | 93.4 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 49.3 | 177.6 | -172.6 | 37.6 | 0 | 0 | 0 | 111.3 | R769 H771 | D728-R769 PolarHBondContact N-O 2.93Å; D728-H771 HydrophobicContact CB-CB 3.75Å |
| 729 | G | 86.6 | Confident | 73 | Confident | 35 Ų | 35 | 86 Ų | 86 | 36% | 0.361 | 47% | 0.467 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 108.4 | -157.6 | 173 | 0 | 0 | 0 | 0 | 0 | 114.5 | R769 | G729-R769 PolarHBondContact O-N 3.28Å |
| 730 | L | 89.7 | Confident | 74.9 | Confident | 79 Ų | 79 | 82.4 Ų | 82.4 | 41% | 0.414 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 147.8 | -171.7 | -57.1 | -180 | 0 | 0 | 0 | 110.1 | L740 T767 Y768 R769 | L730-L740 HydrophobicContact CD1-CD2 3.82Å; L730-L740 HydrophobicContact CD2-CD1 3.5Å; L730-L740 HydrophobicContact CD2-CD2 3.76Å; L730-L740 HydrophobicContact CD2-CG 4.11Å; L730-L740 HydrophobicContact CG-CD2 4.42Å; L730-T767 CarbonylContact C-O 3.49Å; L730-T767 WeakPolarHBondContact CA-O 3.46Å; L730-Y768 HydrophobicContact CD2-CD1 3.82Å; L730-Y768 HydrophobicContact CD2-CE1 4.14Å; L730-R769 PolarHBondContact O-NH2 2.97Å |
| 731 | Q | 87.2 | Confident | 77.2 | Confident | 66 Ų | 66 | 81.4 Ų | 81.4 | 31% | 0.308 | 44% | 0.444 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -143.5 | 164 | 173.9 | 64.8 | -178.2 | 5.9 | 0 | 0 | 111.1 | L766 T767 R769 | Q731-L766 CarbonylContact O-C 3.59Å; Q731-L766 WeakPolarHBondContact O-CA 3.38Å; Q731-T767 PolarHBondContact N-O 3.26Å; Q731-T767 PolarHBondContact O-N 3.48Å; Q731-R769 HydrophobicContact CB-CB 4.4Å; Q731-R769 HydrophobicContact CG-CB 4.18Å |
| 732 | Q | 91.7 | Very high | 79.3 | Confident | 106 Ų | 106 | 84.7 Ų | 84.7 | 50% | 0.495 | 46% | 0.463 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.3 | 131.3 | 168 | -71 | 179.7 | -27.1 | 0 | 0 | 109.4 | K763 Q764 L765 L766 | Q732-K763 CarbonylContact C-O 3.58Å; Q732-Q764 VanDerWaalsContact OE1-CD 3.28Å; Q732-L765 CarbonylContact C-O 3.49Å; Q732-L765 VanDerWaalsContact CA-O 3.31Å; Q732-L765 WeakPolarHBondContact CA-O 3.45Å; Q732-L766 HydrophobicContact CG-CD2 4.25Å |
| 733 | S | 86.9 | Confident | 81.5 | Confident | 21 Ų | 21 | 78.5 Ų | 78.5 | 15% | 0.147 | 43% | 0.425 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -160 | 178.3 | -177.3 | -178.7 | 0 | 0 | 0 | 0 | 110.2 | D735 K763 L765 T767 | S733-D735 PolarHBondContact OG-N 3.09Å; S733-K763 PolarHBondContact N-O 3.33Å; S733-K763 CarbonylContact O-C 3.52Å; S733-L765 PolarHBondContact N-O 2.88Å; S733-L765 WeakPolarHBondContact O-CB 3.44Å; S733-L765 PolarHBondContact O-N 2.89Å; S733-T767 WeakPolarHBondContact CB-OG1 3.28Å |
| 734 | D | 85.8 | Confident | 83.3 | Confident | 72 Ų | 72 | 78 Ų | 78 | 39% | 0.385 | 42% | 0.418 | S | S | . | . | S | Bend | trans | -105.1 | 8.2 | 169.2 | 50.7 | -11.3 | 0 | 0 | 0 | 112.4 | I736 L760 K763 | D734-I736 PolarHBondContact O-N 3.21Å; D734-L760 HydrophobicContact CB-CD1 4.06Å; D734-K763 HydrophobicContact CB-CB 4.49Å; D734-K763 HydrophobicContact CB-CG 4.1Å; D734-K763 WeakPolarHBondContact OD2-CE 3.44Å; D734-K763 IonicContact OD2-NZ 3.41Å; D734-K763 PolarHBondContact OD2-NZ 3.33Å |
| 735 | D | 86.6 | Confident | 84.9 | Confident | 43 Ų | 43 | 78 Ų | 78 | 23% | 0.23 | 42% | 0.422 | C | S | . | . | trans | -76.1 | 91.3 | -179.7 | -171.5 | -5.5 | 0 | 0 | 0 | 112.8 | S733 L737 R738 T767 | S733-D735 PolarHBondContact OG-N 3.09Å; D735-L737 PolarHBondContact O-N 3.36Å; D735-L737 WeakPolarHBondContact OD1-CB 3.29Å; D735-L737 PolarHBondContact OD1-N 3.13Å; D735-L737 VanDerWaalsContact OD1-N 3.09Å; D735-R738 PolarHBondContact O-N 3.2Å; D735-R738 VanDerWaalsContact O-N 3.13Å; D735-R738 WeakPolarHBondContact OD2-CD 3.3Å; D735-R738 WeakPolarHBondContact OD2-CG 3.3Å; D735-R738 IonicContact OD2-CZ 2.66Å; D735-R738 IonicContact OD2-NE 2.81Å; D735-R738 PolarHBondContact OD2-NE 2.79Å; D735-R738 VanDerWaalsContact OD2-NE 3.08Å; D735-R738 IonicContact OD2-NH1 3.67Å; D735-T767 HydrophobicContact CB-CG2 4.41Å; D735-T767 VanDerWaalsContact O-CG2 3.26Å; D735-T767 WeakPolarHBondContact O-CG2 3.41Å | ||
| 736 | I | 84.5 | Confident | 86.4 | Confident | 98 Ų | 98 | 70.9 Ų | 70.9 | 50% | 0.503 | 39% | 0.391 | S | S | . | . | G | 310 helix | trans | -58.1 | -29.6 | 179.6 | -59 | 174.1 | 0 | 0 | 0 | 112.4 | D734 R738 L739 L760 | D734-I736 PolarHBondContact O-N 3.21Å; I736-R738 PolarHBondContact O-N 2.89Å; I736-L739 VanDerWaalsContact O-CB 3.32Å; I736-L739 WeakPolarHBondContact O-CB 3.35Å; I736-L739 PolarHBondContact O-N 3.41Å; I736-L760 HydrophobicContact CD1-CD1 4.14Å; I736-L760 HydrophobicContact CD1-CD2 4.19Å; I736-L760 HydrophobicContact CG1-CD1 3.89Å |
| 737 | L | 82.8 | Confident | 87.2 | Confident | 166 Ų | 166 | 66.9 Ų | 66.9 | 87% | 0.869 | 37% | 0.374 | S | S | * | . | G | 310 helix | trans | -71.7 | -18.7 | -178.2 | -65 | 176.1 | 0 | 0 | 0 | 112.9 | D735 | D735-L737 PolarHBondContact O-N 3.36Å; D735-L737 WeakPolarHBondContact OD1-CB 3.29Å; D735-L737 PolarHBondContact OD1-N 3.13Å; D735-L737 VanDerWaalsContact OD1-N 3.09Å |
| 738 | R | 85.8 | Confident | 87.6 | Confident | 77 Ų | 77 | 66.7 Ų | 66.7 | 29% | 0.291 | 39% | 0.387 | S | S | . | . | G | 310 helix | trans | -113.7 | 13 | -177.3 | -61 | -179.2 | -167.1 | 175.4 | 0.1 | 112.6 | D735 I736 T767 Y768 L770 | D735-R738 PolarHBondContact O-N 3.2Å; D735-R738 VanDerWaalsContact O-N 3.13Å; D735-R738 WeakPolarHBondContact OD2-CD 3.3Å; D735-R738 WeakPolarHBondContact OD2-CG 3.3Å; D735-R738 IonicContact OD2-CZ 2.66Å; D735-R738 IonicContact OD2-NE 2.81Å; D735-R738 PolarHBondContact OD2-NE 2.79Å; D735-R738 VanDerWaalsContact OD2-NE 3.08Å; D735-R738 IonicContact OD2-NH1 3.67Å; I736-R738 PolarHBondContact O-N 2.89Å; R738-T767 CarbonylContact O-C 3.57Å; R738-T767 WeakPolarHBondContact O-CA 3.41Å; R738-T767 WeakPolarHBondContact O-CB 3.33Å; R738-Y768 WeakPolarHBondContact O-CD2 3.27Å; R738-Y768 PolarHBondContact O-N 2.85Å; R738-L770 VanDerWaalsContact NE-CD1 3.28Å |
| 739 | L | 88.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 66.2 Ų | 66.2 | 10% | 0.099 | 38% | 0.383 | C | S | . | . | B | Isolated β-bridge | trans | -64.3 | 140.1 | -173 | -154.1 | 126.3 | 0 | 0 | 0 | 111.8 | I736 E743 L744 F756 L765 | I736-L739 VanDerWaalsContact O-CB 3.32Å; I736-L739 WeakPolarHBondContact O-CB 3.35Å; I736-L739 PolarHBondContact O-N 3.41Å; L739-E743 HydrophobicContact CD2-CB 3.4Å; L739-E743 VanDerWaalsContact CD2-CB 3.4Å; L739-E743 HydrophobicContact CG-CB 3.89Å; L739-L744 HydrophobicContact CD2-CB 3.71Å; L739-L744 HydrophobicContact CD2-CD1 4.27Å; L739-F756 HydrophobicContact CD1-CE2 3.85Å; L739-F756 HydrophobicContact CD1-CZ 3.88Å; L739-F756 HydrophobicContact CD2-CE2 3.97Å; L739-L765 HydrophobicContact CD1-CB 4.21Å; L739-L765 HydrophobicContact CD1-CD1 3.71Å; L739-L765 HydrophobicContact CD1-CG 4.39Å |
| 740 | L | 92.6 | Very high | 88.7 | Confident | 22 Ų | 22 | 70 Ų | 70 | 12% | 0.115 | 40% | 0.399 | C | S | . | . | trans | -70.5 | 140.3 | 178.5 | -98.2 | 76 | 0 | 0 | 0 | 110 | L730 P742 E743 L744 L766 T767 Y768 | L730-L740 HydrophobicContact CD1-CD2 3.82Å; L730-L740 HydrophobicContact CD2-CD1 3.5Å; L730-L740 HydrophobicContact CD2-CD2 3.76Å; L730-L740 HydrophobicContact CD2-CG 4.11Å; L730-L740 HydrophobicContact CG-CD2 4.42Å; L740-P742 VanDerWaalsContact C-CD 3.47Å; L740-P742 VanDerWaalsContact C-N 3.26Å; L740-P742 VanDerWaalsContact O-N 3.13Å; L740-E743 HydrophobicContact CB-CG 4.39Å; L740-E743 WeakPolarHBondContact O-CB 3.14Å; L740-E743 PolarHBondContact O-N 3.13Å; L740-L744 PolarHBondContact O-N 3.45Å; L740-L744 VanDerWaalsContact O-N 3.17Å; L740-L766 HydrophobicContact CB-CB 4.41Å; L740-L766 WeakPolarHBondContact CB-O 3.07Å; L740-L766 HydrophobicContact CD1-CB 4.25Å; L740-L766 WeakPolarHBondContact CD1-O 3.33Å; L740-L766 HydrophobicContact CD2-CB 4.35Å; L740-L766 PolarHBondContact N-O 3.19Å; L740-T767 VanDerWaalsContact CD1-C 3.46Å; L740-Y768 HydrophobicContact CD1-CD1 4.33Å; L740-Y768 HydrophobicContact CD1-CD2 4.39Å; L740-Y768 HydrophobicContact CD1-CE1 4.41Å; L740-Y768 HydrophobicContact CD1-CE2 4.46Å; L740-Y768 HydrophobicContact CD1-CG 4.33Å | ||
| 741 | P | 92.6 | Very high | 88.8 | Confident | 83 Ų | 83 | 73.7 Ų | 73.7 | 54% | 0.539 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -52.6 | -36.3 | 179.6 | -24.1 | 31.6 | 0 | 0 | 0 | 114.6 | L744 A745 | P741-L744 PolarHBondContact O-N 3.25Å; P741-A745 PolarHBondContact O-N 3.04Å |
| 742 | P | 91.5 | Very high | 89.2 | Confident | 94 Ų | 94 | 73.9 Ų | 73.9 | 61% | 0.61 | 42% | 0.417 | S | S | * | . | H | α-helix | trans | -60.4 | -38.3 | 171 | -28.6 | 35.3 | 0 | 0 | 0 | 115.7 | L740 L744 A745 | L740-P742 VanDerWaalsContact C-CD 3.47Å; L740-P742 VanDerWaalsContact C-N 3.26Å; L740-P742 VanDerWaalsContact O-N 3.13Å; P742-L744 VanDerWaalsContact C-N 3.32Å; P742-A745 PolarHBondContact O-N 3.47Å |
| 743 | E | 93.2 | Very high | 89.2 | Confident | 12 Ų | 12 | 71.9 Ų | 71.9 | 6% | 0.056 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -67.5 | -38.8 | 175.9 | -65.7 | -73.3 | -174.3 | 0 | 0 | 109.6 | L739 L740 A745 T746 F756 R759 L765 L766 | L739-E743 HydrophobicContact CD2-CB 3.4Å; L739-E743 VanDerWaalsContact CD2-CB 3.4Å; L739-E743 HydrophobicContact CG-CB 3.89Å; L740-E743 HydrophobicContact CB-CG 4.39Å; L740-E743 WeakPolarHBondContact O-CB 3.14Å; L740-E743 PolarHBondContact O-N 3.13Å; E743-A745 VanDerWaalsContact C-N 3.31Å; E743-A745 PolarHBondContact O-N 2.91Å; E743-T746 WeakPolarHBondContact O-CB 3.31Å; E743-T746 PolarHBondContact O-N 2.89Å; E743-T746 PolarHBondContact O-OG1 3.24Å; E743-F756 WeakPolarHBondContact O-CD2 3.35Å; E743-R759 IonicContact OE1-NH1 3.25Å; E743-R759 IonicContact OE2-NH1 2.98Å; E743-L765 HydrophobicContact CB-CD2 4.35Å; E743-L766 HydrophobicContact CG-CB 3.97Å; E743-L766 PolarHBondContact OE1-N 3.24Å; E743-L766 VanDerWaalsContact OE1-N 3.15Å |
| 744 | L | 88.6 | Confident | 89.5 | Confident | 100 Ų | 100 | 80 Ų | 80 | 52% | 0.524 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -65.7 | -34.8 | 177.9 | -169.4 | 72.6 | 0 | 0 | 0 | 111.8 | L739 L740 P741 P742 T746 L747 | L739-L744 HydrophobicContact CD2-CB 3.71Å; L739-L744 HydrophobicContact CD2-CD1 4.27Å; L740-L744 PolarHBondContact O-N 3.45Å; L740-L744 VanDerWaalsContact O-N 3.17Å; P741-L744 PolarHBondContact O-N 3.25Å; P742-L744 VanDerWaalsContact C-N 3.32Å; L744-T746 PolarHBondContact O-N 3.32Å; L744-L747 HydrophobicContact CD1-CD1 4.23Å; L744-L747 WeakPolarHBondContact O-CB 3.39Å; L744-L747 PolarHBondContact O-N 3.37Å |
| 745 | A | 88.9 | Confident | 89.9 | Confident | 61 Ų | 61 | 78.8 Ų | 78.8 | 50% | 0.504 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -61.6 | -25.8 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | P741 P742 E743 L747 G748 | P741-A745 PolarHBondContact O-N 3.04Å; P742-A745 PolarHBondContact O-N 3.47Å; E743-A745 VanDerWaalsContact C-N 3.31Å; E743-A745 PolarHBondContact O-N 2.91Å; A745-L747 VanDerWaalsContact C-N 3.29Å; A745-L747 PolarHBondContact O-N 2.98Å; A745-G748 PolarHBondContact O-N 3.47Å |
| 746 | T | 90 | Very high | 90.2 | Very high | 24 Ų | 24 | 77 Ų | 77 | 15% | 0.147 | 42% | 0.419 | C | S | . | . | H | α-helix | trans | -65 | -31.5 | 178 | 66.6 | 0 | 0 | 0 | 0 | 112.8 | E743 L744 G748 I749 F756 | E743-T746 WeakPolarHBondContact O-CB 3.31Å; E743-T746 PolarHBondContact O-N 2.89Å; E743-T746 PolarHBondContact O-OG1 3.24Å; L744-T746 PolarHBondContact O-N 3.32Å; T746-G748 PolarHBondContact O-N 3.24Å; T746-I749 PolarHBondContact O-N 2.91Å; T746-F756 WeakPolarHBondContact OG1-CB 3.26Å; T746-F756 WeakPolarHBondContact OG1-CD2 3.33Å |
| 747 | L | 85.5 | Confident | 90.7 | Very high | 62 Ų | 62 | 77.3 Ų | 77.3 | 33% | 0.325 | 41% | 0.414 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -22.6 | 172.7 | -78.4 | 169.6 | 0 | 0 | 0 | 113 | L744 A745 I749 E753 F756 Y757 | L744-L747 HydrophobicContact CD1-CD1 4.23Å; L744-L747 WeakPolarHBondContact O-CB 3.39Å; L744-L747 PolarHBondContact O-N 3.37Å; A745-L747 VanDerWaalsContact C-N 3.29Å; A745-L747 PolarHBondContact O-N 2.98Å; L747-I749 VanDerWaalsContact C-N 3.31Å; L747-E753 HydrophobicContact CD2-CG 4.08Å; L747-F756 HydrophobicContact CD1-CD1 3.97Å; L747-F756 HydrophobicContact CD1-CD2 4.38Å; L747-F756 HydrophobicContact CD1-CE1 3.66Å; L747-F756 HydrophobicContact CD1-CE2 4.07Å; L747-F756 HydrophobicContact CD1-CG 4.32Å; L747-F756 HydrophobicContact CD1-CZ 3.71Å; L747-F756 HydrophobicContact CD2-CB 4.19Å; L747-F756 HydrophobicContact CD2-CD1 3.43Å; L747-F756 VanDerWaalsContact CD2-CD1 3.43Å; L747-F756 HydrophobicContact CD2-CE1 3.93Å; L747-F756 HydrophobicContact CD2-CG 3.83Å; L747-F756 HydrophobicContact CG-CB 4.3Å; L747-F756 HydrophobicContact CG-CD1 3.65Å; L747-F756 HydrophobicContact CG-CD2 3.99Å; L747-F756 HydrophobicContact CG-CE1 3.9Å; L747-F756 HydrophobicContact CG-CE2 4.2Å; L747-F756 HydrophobicContact CG-CG 3.7Å; L747-F756 HydrophobicContact CG-CZ 4.17Å; L747-Y757 HydrophobicContact CD2-CE1 4.33Å |
| 748 | G | 85.5 | Confident | 91.3 | Very high | 68 Ų | 68 | 75.4 Ų | 75.4 | 70% | 0.701 | 40% | 0.396 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -10.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | A745 T746 | A745-G748 PolarHBondContact O-N 3.47Å; T746-G748 PolarHBondContact O-N 3.24Å |
| 749 | I | 93.7 | Very high | 91.7 | Very high | 83 Ų | 83 | 75.8 Ų | 75.8 | 43% | 0.426 | 40% | 0.397 | S | S | . | . | S | Bend | trans | -111.7 | 110.7 | -179.5 | -60.9 | 170.8 | 0 | 0 | 0 | 107.2 | T746 L747 E751 L752 E753 | T746-I749 PolarHBondContact O-N 2.91Å; L747-I749 VanDerWaalsContact C-N 3.31Å; I749-E751 HydrophobicContact CG2-CB 4.46Å; I749-E751 WeakPolarHBondContact CG2-OE2 3.38Å; I749-E751 PolarHBondContact O-N 3.25Å; I749-E751 VanDerWaalsContact O-N 3.09Å; I749-L752 HydrophobicContact CB-CB 4.34Å; I749-L752 HydrophobicContact CB-CD1 4.23Å; I749-L752 HydrophobicContact CB-CG 4.32Å; I749-L752 HydrophobicContact CD1-CD1 4.03Å; I749-L752 HydrophobicContact CG2-CB 4.43Å; I749-L752 HydrophobicContact CG2-CD1 4.17Å; I749-L752 HydrophobicContact CG2-CG 4.01Å; I749-L752 PolarHBondContact O-N 3.13Å; I749-E753 PolarHBondContact O-N 2.8Å |
| 750 | T | 90.2 | Very high | 91.9 | Very high | 113 Ų | 113 | 76.7 Ų | 76.7 | 69% | 0.693 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -54.7 | -34.1 | -172.3 | -53.9 | 0 | 0 | 0 | 0 | 113 | L752 | T750-L752 VanDerWaalsContact C-N 3.28Å; T750-L752 PolarHBondContact O-N 2.85Å |
| 751 | E | 93.4 | Very high | 91.8 | Very high | 157 Ų | 157 | 81.3 Ų | 81.3 | 73% | 0.734 | 43% | 0.431 | S | S | * | . | G | 310 helix | trans | -69.8 | -21.8 | 178.3 | -59.5 | 83.2 | 174.9 | 0 | 0 | 113.8 | I749 | I749-E751 HydrophobicContact CG2-CB 4.46Å; I749-E751 WeakPolarHBondContact CG2-OE2 3.38Å; I749-E751 PolarHBondContact O-N 3.25Å; I749-E751 VanDerWaalsContact O-N 3.09Å |
| 752 | L | 94.3 | Very high | 91.8 | Very high | 70 Ų | 70 | 82.3 Ų | 82.3 | 37% | 0.366 | 43% | 0.428 | S | S | . | . | G | 310 helix | trans | -104.3 | -4.1 | -177.2 | -60.9 | -179.1 | 0 | 0 | 0 | 113.5 | I749 T750 Y754 E755 F756 | I749-L752 HydrophobicContact CB-CB 4.34Å; I749-L752 HydrophobicContact CB-CD1 4.23Å; I749-L752 HydrophobicContact CB-CG 4.32Å; I749-L752 HydrophobicContact CD1-CD1 4.03Å; I749-L752 HydrophobicContact CG2-CB 4.43Å; I749-L752 HydrophobicContact CG2-CD1 4.17Å; I749-L752 HydrophobicContact CG2-CG 4.01Å; I749-L752 PolarHBondContact O-N 3.13Å; T750-L752 VanDerWaalsContact C-N 3.28Å; T750-L752 PolarHBondContact O-N 2.85Å; L752-Y754 VanDerWaalsContact C-N 3.35Å; L752-Y754 PolarHBondContact O-N 3.3Å; L752-E755 WeakPolarHBondContact O-CA 3.37Å; L752-E755 WeakPolarHBondContact O-CB 3.36Å; L752-E755 PolarHBondContact O-N 2.72Å; L752-F756 PolarHBondContact O-N 2.99Å |
| 753 | E | 91.2 | Very high | 91.9 | Very high | 65 Ų | 65 | 83.5 Ų | 83.5 | 30% | 0.304 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -57.9 | -44.9 | -178.2 | -170.2 | -174.4 | 171.3 | 0 | 0 | 112.1 | L747 I749 E755 F756 Y757 | L747-E753 HydrophobicContact CD2-CG 4.08Å; I749-E753 PolarHBondContact O-N 2.8Å; E753-E755 VanDerWaalsContact C-N 3.29Å; E753-E755 PolarHBondContact O-N 3.07Å; E753-F756 WeakPolarHBondContact O-CB 3.41Å; E753-F756 PolarHBondContact O-N 2.78Å; E753-Y757 HydrophobicContact CG-CD2 4.17Å; E753-Y757 HydrophobicContact CG-CE2 3.51Å; E753-Y757 WeakPolarHBondContact O-CD2 3.4Å; E753-Y757 PolarHBondContact O-N 3.49Å; E753-Y757 VanDerWaalsContact OE1-CE2 3.24Å; E753-Y757 WeakPolarHBondContact OE1-CE2 3.47Å; E753-Y757 PolarHBondContact OE1-OH 3Å |
| 754 | Y | 93.2 | Very high | 91.9 | Very high | 190 Ų | 190 | 86.5 Ų | 86.5 | 75% | 0.745 | 44% | 0.438 | S | S | * | . | H | α-helix | trans | -66.8 | -29.6 | 175.7 | -72.6 | -67.2 | 0 | 0 | 0 | 113.2 | L752 Y757 R758 | L752-Y754 VanDerWaalsContact C-N 3.35Å; L752-Y754 PolarHBondContact O-N 3.3Å; Y754-Y757 PolarHBondContact O-N 3.44Å; Y754-R758 WeakPolarHBondContact O-CB 3.3Å; Y754-R758 PolarHBondContact O-N 3.47Å |
| 755 | E | 94.2 | Very high | 92.1 | Very high | 47 Ų | 47 | 81.8 Ų | 81.8 | 22% | 0.22 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -68.4 | -39.8 | 174.4 | 177.6 | 64.5 | -161.2 | 0 | 0 | 110.5 | L752 E753 R758 R759 | L752-E755 WeakPolarHBondContact O-CA 3.37Å; L752-E755 WeakPolarHBondContact O-CB 3.36Å; L752-E755 PolarHBondContact O-N 2.72Å; E753-E755 VanDerWaalsContact C-N 3.29Å; E753-E755 PolarHBondContact O-N 3.07Å; E755-R758 PolarHBondContact O-N 2.79Å; E755-R758 IonicContact OE1-CZ 3.88Å; E755-R758 IonicContact OE1-NH2 3.93Å; E755-R758 PolarHBondContact OE1-NH2 3.05Å; E755-R758 IonicContact OE2-CZ 3.28Å; E755-R758 IonicContact OE2-NE 3.72Å; E755-R758 IonicContact OE2-NH1 2.68Å; E755-R758 PolarHBondContact OE2-NH1 2.84Å; E755-R758 VanDerWaalsContact OE2-NH1 3.16Å; E755-R758 IonicContact OE2-NH2 2.69Å; E755-R758 PolarHBondContact OE2-NH2 2.78Å; E755-R759 WeakPolarHBondContact O-CG 3.49Å; E755-R759 PolarHBondContact O-N 2.94Å; E755-R759 IonicContact OE1-CZ 3.73Å; E755-R759 IonicContact OE1-NE 2.94Å; E755-R759 PolarHBondContact OE1-NE 3.14Å; E755-R759 IonicContact OE1-NH2 3.51Å; E755-R759 PolarHBondContact OE1-NH2 3.25Å; E755-R759 VanDerWaalsContact OE1-NH2 3.13Å |
| 756 | F | 94.6 | Very high | 92.4 | Very high | 7 Ų | 7 | 82 Ų | 82 | 3% | 0.031 | 41% | 0.405 | C | S | . | . | H | α-helix | trans | -59.5 | -50.7 | 171.8 | 178.8 | -91.9 | 0 | 0 | 0 | 111.6 | L739 E743 T746 L747 L752 E753 R758 R759 L760 L765 | L739-F756 HydrophobicContact CD1-CE2 3.85Å; L739-F756 HydrophobicContact CD1-CZ 3.88Å; L739-F756 HydrophobicContact CD2-CE2 3.97Å; E743-F756 WeakPolarHBondContact O-CD2 3.35Å; T746-F756 WeakPolarHBondContact OG1-CB 3.26Å; T746-F756 WeakPolarHBondContact OG1-CD2 3.33Å; L747-F756 HydrophobicContact CD1-CD1 3.97Å; L747-F756 HydrophobicContact CD1-CD2 4.38Å; L747-F756 HydrophobicContact CD1-CE1 3.66Å; L747-F756 HydrophobicContact CD1-CE2 4.07Å; L747-F756 HydrophobicContact CD1-CG 4.32Å; L747-F756 HydrophobicContact CD1-CZ 3.71Å; L747-F756 HydrophobicContact CD2-CB 4.19Å; L747-F756 HydrophobicContact CD2-CD1 3.43Å; L747-F756 VanDerWaalsContact CD2-CD1 3.43Å; L747-F756 HydrophobicContact CD2-CE1 3.93Å; L747-F756 HydrophobicContact CD2-CG 3.83Å; L747-F756 HydrophobicContact CG-CB 4.3Å; L747-F756 HydrophobicContact CG-CD1 3.65Å; L747-F756 HydrophobicContact CG-CD2 3.99Å; L747-F756 HydrophobicContact CG-CE1 3.9Å; L747-F756 HydrophobicContact CG-CE2 4.2Å; L747-F756 HydrophobicContact CG-CG 3.7Å; L747-F756 HydrophobicContact CG-CZ 4.17Å; L752-F756 PolarHBondContact O-N 2.99Å; E753-F756 WeakPolarHBondContact O-CB 3.41Å; E753-F756 PolarHBondContact O-N 2.78Å; F756-R758 VanDerWaalsContact C-N 3.34Å; F756-R758 PolarHBondContact O-N 3.12Å; F756-R759 PolarHBondContact O-N 3.41Å; F756-L760 HydrophobicContact CE1-CD2 4.33Å; F756-L760 WeakPolarHBondContact O-CB 3.45Å; F756-L760 PolarHBondContact O-N 2.88Å; F756-L765 HydrophobicContact CD2-CD2 3.65Å; F756-L765 HydrophobicContact CE2-CD1 3.99Å; F756-L765 HydrophobicContact CE2-CD2 3.65Å; F756-L765 HydrophobicContact CE2-CG 4.47Å; F756-L765 HydrophobicContact CG-CD2 4.43Å; F756-L765 HydrophobicContact CZ-CD1 3.95Å; F756-L765 HydrophobicContact CZ-CD2 4.41Å |
| 757 | Y | 94.1 | Very high | 92.4 | Very high | 103 Ų | 103 | 80.9 Ų | 80.9 | 40% | 0.404 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -64.2 | -37.4 | 179.3 | -66 | -46.8 | 0 | 0 | 0 | 112.7 | L747 E753 Y754 L760 V761 | L747-Y757 HydrophobicContact CD2-CE1 4.33Å; E753-Y757 HydrophobicContact CG-CD2 4.17Å; E753-Y757 HydrophobicContact CG-CE2 3.51Å; E753-Y757 WeakPolarHBondContact O-CD2 3.4Å; E753-Y757 PolarHBondContact O-N 3.49Å; E753-Y757 VanDerWaalsContact OE1-CE2 3.24Å; E753-Y757 WeakPolarHBondContact OE1-CE2 3.47Å; E753-Y757 PolarHBondContact OE1-OH 3Å; Y754-Y757 PolarHBondContact O-N 3.44Å; Y757-L760 WeakPolarHBondContact O-CB 3.24Å; Y757-L760 PolarHBondContact O-N 3.44Å; Y757-V761 WeakPolarHBondContact O-CG2 3.41Å; Y757-V761 PolarHBondContact O-N 3.1Å |
| 758 | R | 95.5 | Very high | 92.5 | Very high | 126 Ų | 126 | 82.4 Ų | 82.4 | 48% | 0.475 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.7 | -51.8 | 172.8 | -171.9 | -171 | 79.6 | -162.1 | -3.6 | 110.2 | Y754 E755 F756 L760 V761 E762 | Y754-R758 WeakPolarHBondContact O-CB 3.3Å; Y754-R758 PolarHBondContact O-N 3.47Å; E755-R758 PolarHBondContact O-N 2.79Å; E755-R758 IonicContact OE1-CZ 3.88Å; E755-R758 IonicContact OE1-NH2 3.93Å; E755-R758 PolarHBondContact OE1-NH2 3.05Å; E755-R758 IonicContact OE2-CZ 3.28Å; E755-R758 IonicContact OE2-NE 3.72Å; E755-R758 IonicContact OE2-NH1 2.68Å; E755-R758 PolarHBondContact OE2-NH1 2.84Å; E755-R758 VanDerWaalsContact OE2-NH1 3.16Å; E755-R758 IonicContact OE2-NH2 2.69Å; E755-R758 PolarHBondContact OE2-NH2 2.78Å; F756-R758 VanDerWaalsContact C-N 3.34Å; F756-R758 PolarHBondContact O-N 3.12Å; R758-L760 VanDerWaalsContact C-N 3.29Å; R758-L760 PolarHBondContact O-N 2.93Å; R758-V761 PolarHBondContact O-N 3.44Å; R758-E762 HydrophobicContact CG-CG 4.4Å; R758-E762 IonicContact NE-OE1 3.9Å; R758-E762 IonicContact NE-OE2 3.95Å; R758-E762 WeakPolarHBondContact O-CB 3.5Å; R758-E762 WeakPolarHBondContact O-CG 3.39Å; R758-E762 PolarHBondContact O-N 2.83Å |
| 759 | R | 94.5 | Very high | 92.3 | Very high | 86 Ų | 86 | 84.2 Ų | 84.2 | 33% | 0.325 | 39% | 0.386 | S | S | . | . | H | α-helix | trans | -62.5 | -35.3 | 178.5 | -70.2 | 178.8 | -172.3 | -163.5 | 0.9 | 112.6 | E743 E755 F756 K763 Q764 L765 | E743-R759 IonicContact OE1-NH1 3.25Å; E743-R759 IonicContact OE2-NH1 2.98Å; E755-R759 WeakPolarHBondContact O-CG 3.49Å; E755-R759 PolarHBondContact O-N 2.94Å; E755-R759 IonicContact OE1-CZ 3.73Å; E755-R759 IonicContact OE1-NE 2.94Å; E755-R759 PolarHBondContact OE1-NE 3.14Å; E755-R759 IonicContact OE1-NH2 3.51Å; E755-R759 PolarHBondContact OE1-NH2 3.25Å; E755-R759 VanDerWaalsContact OE1-NH2 3.13Å; F756-R759 PolarHBondContact O-N 3.41Å; R759-K763 PolarHBondContact O-N 3.23Å; R759-Q764 HydrophobicContact CB-CB 4.23Å; R759-Q764 HydrophobicContact CG-CB 4.36Å; R759-Q764 PolarHBondContact O-N 3.48Å; R759-L765 HydrophobicContact CB-CD2 3.66Å; R759-L765 HydrophobicContact CB-CG 3.96Å |
| 760 | L | 92 | Very high | 91.2 | Very high | 37 Ų | 37 | 82.6 Ų | 82.6 | 19% | 0.194 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 174.9 | -177.7 | 62.4 | 0 | 0 | 0 | 111.3 | D734 I736 F756 Y757 R758 E762 K763 L765 | D734-L760 HydrophobicContact CB-CD1 4.06Å; I736-L760 HydrophobicContact CD1-CD1 4.14Å; I736-L760 HydrophobicContact CD1-CD2 4.19Å; I736-L760 HydrophobicContact CG1-CD1 3.89Å; F756-L760 HydrophobicContact CE1-CD2 4.33Å; F756-L760 WeakPolarHBondContact O-CB 3.45Å; F756-L760 PolarHBondContact O-N 2.88Å; Y757-L760 WeakPolarHBondContact O-CB 3.24Å; Y757-L760 PolarHBondContact O-N 3.44Å; R758-L760 VanDerWaalsContact C-N 3.29Å; R758-L760 PolarHBondContact O-N 2.93Å; L760-E762 VanDerWaalsContact C-N 3.34Å; L760-E762 PolarHBondContact O-N 2.76Å; L760-K763 PolarHBondContact O-N 2.71Å; L760-K763 VanDerWaalsContact O-N 3.15Å; L760-L765 VanDerWaalsContact CA-CD1 3.5Å; L760-L765 HydrophobicContact CB-CD1 3.63Å; L760-L765 HydrophobicContact CD1-CD1 3.44Å; L760-L765 VanDerWaalsContact CD1-CD1 3.44Å; L760-L765 HydrophobicContact CG-CD1 4.11Å |
| 761 | V | 90.5 | Very high | 89.5 | Confident | 119 Ų | 119 | 81.9 Ų | 81.9 | 72% | 0.721 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -65.7 | -38.5 | 179.4 | 174.7 | 0 | 0 | 0 | 0 | 111.4 | Y757 R758 K763 | Y757-V761 WeakPolarHBondContact O-CG2 3.41Å; Y757-V761 PolarHBondContact O-N 3.1Å; R758-V761 PolarHBondContact O-N 3.44Å; V761-K763 PolarHBondContact O-N 3.07Å |
| 762 | E | 93.6 | Very high | 87.4 | Confident | 105 Ų | 105 | 74.8 Ų | 74.8 | 49% | 0.491 | 34% | 0.335 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.2 | -4.2 | 176.6 | -69.4 | 176 | 170.9 | 0 | 0 | 113.4 | R758 L760 Q764 | R758-E762 HydrophobicContact CG-CG 4.4Å; R758-E762 IonicContact NE-OE1 3.9Å; R758-E762 IonicContact NE-OE2 3.95Å; R758-E762 WeakPolarHBondContact O-CB 3.5Å; R758-E762 WeakPolarHBondContact O-CG 3.39Å; R758-E762 PolarHBondContact O-N 2.83Å; L760-E762 VanDerWaalsContact C-N 3.34Å; L760-E762 PolarHBondContact O-N 2.76Å; E762-Q764 HydrophobicContact CB-CB 4.31Å; E762-Q764 HydrophobicContact CB-CG 3.78Å; E762-Q764 PolarHBondContact O-N 2.78Å |
| 763 | K | 92.8 | Very high | 85.2 | Confident | 118 Ų | 118 | 77.9 Ų | 77.9 | 51% | 0.513 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 56.8 | 38.1 | -174.8 | -47.6 | -169.5 | 174.8 | -157.8 | 0 | 112.8 | Q732 S733 D734 R759 L760 V761 | Q732-K763 CarbonylContact C-O 3.58Å; S733-K763 PolarHBondContact N-O 3.33Å; S733-K763 CarbonylContact O-C 3.52Å; D734-K763 HydrophobicContact CB-CB 4.49Å; D734-K763 HydrophobicContact CB-CG 4.1Å; D734-K763 WeakPolarHBondContact OD2-CE 3.44Å; D734-K763 IonicContact OD2-NZ 3.41Å; D734-K763 PolarHBondContact OD2-NZ 3.33Å; R759-K763 PolarHBondContact O-N 3.23Å; L760-K763 PolarHBondContact O-N 2.71Å; L760-K763 VanDerWaalsContact O-N 3.15Å; V761-K763 PolarHBondContact O-N 3.07Å |
| 764 | Q | 93.9 | Very high | 82.8 | Confident | 76 Ų | 76 | 76.9 Ų | 76.9 | 36% | 0.355 | 35% | 0.348 | S | S | . | . | trans | -105.6 | 4 | -176.3 | -71.9 | -66.3 | -66.2 | 0 | 0 | 113.7 | Q732 R759 E762 | Q732-Q764 VanDerWaalsContact OE1-CD 3.28Å; R759-Q764 HydrophobicContact CB-CB 4.23Å; R759-Q764 HydrophobicContact CG-CB 4.36Å; R759-Q764 PolarHBondContact O-N 3.48Å; E762-Q764 HydrophobicContact CB-CB 4.31Å; E762-Q764 HydrophobicContact CB-CG 3.78Å; E762-Q764 PolarHBondContact O-N 2.78Å | ||
| 765 | L | 92.9 | Very high | 80.8 | Confident | 0 Ų | 0 | 74.5 Ų | 74.5 | 0% | 0 | 34% | 0.338 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.9 | 135.1 | 177.3 | -63.6 | 163.2 | 0 | 0 | 0 | 110.4 | Q732 S733 L739 E743 F756 R759 L760 T767 | Q732-L765 CarbonylContact C-O 3.49Å; Q732-L765 VanDerWaalsContact CA-O 3.31Å; Q732-L765 WeakPolarHBondContact CA-O 3.45Å; S733-L765 PolarHBondContact N-O 2.88Å; S733-L765 WeakPolarHBondContact O-CB 3.44Å; S733-L765 PolarHBondContact O-N 2.89Å; L739-L765 HydrophobicContact CD1-CB 4.21Å; L739-L765 HydrophobicContact CD1-CD1 3.71Å; L739-L765 HydrophobicContact CD1-CG 4.39Å; E743-L765 HydrophobicContact CB-CD2 4.35Å; F756-L765 HydrophobicContact CD2-CD2 3.65Å; F756-L765 HydrophobicContact CE2-CD1 3.99Å; F756-L765 HydrophobicContact CE2-CD2 3.65Å; F756-L765 HydrophobicContact CE2-CG 4.47Å; F756-L765 HydrophobicContact CG-CD2 4.43Å; F756-L765 HydrophobicContact CZ-CD1 3.95Å; F756-L765 HydrophobicContact CZ-CD2 4.41Å; R759-L765 HydrophobicContact CB-CD2 3.66Å; R759-L765 HydrophobicContact CB-CG 3.96Å; L760-L765 VanDerWaalsContact CA-CD1 3.5Å; L760-L765 HydrophobicContact CB-CD1 3.63Å; L760-L765 HydrophobicContact CD1-CD1 3.44Å; L760-L765 VanDerWaalsContact CD1-CD1 3.44Å; L760-L765 HydrophobicContact CG-CD1 4.11Å; L765-T767 PolarHBondContact O-N 3.47Å |
| 766 | L | 94.6 | Very high | 78.4 | Confident | 66 Ų | 66 | 80.1 Ų | 80.1 | 35% | 0.346 | 36% | 0.357 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.7 | 121.8 | 173.4 | -69.9 | 168.5 | 0 | 0 | 0 | 111.2 | Q731 Q732 L740 E743 | Q731-L766 CarbonylContact O-C 3.59Å; Q731-L766 WeakPolarHBondContact O-CA 3.38Å; Q732-L766 HydrophobicContact CG-CD2 4.25Å; L740-L766 HydrophobicContact CB-CB 4.41Å; L740-L766 WeakPolarHBondContact CB-O 3.07Å; L740-L766 HydrophobicContact CD1-CB 4.25Å; L740-L766 WeakPolarHBondContact CD1-O 3.33Å; L740-L766 HydrophobicContact CD2-CB 4.35Å; L740-L766 PolarHBondContact N-O 3.19Å; E743-L766 HydrophobicContact CG-CB 3.97Å; E743-L766 PolarHBondContact OE1-N 3.24Å; E743-L766 VanDerWaalsContact OE1-N 3.15Å |
| 767 | T | 90.3 | Very high | 76.2 | Confident | 0 Ų | 0 | 84.7 Ų | 84.7 | 0% | 0 | 38% | 0.379 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.3 | 155.4 | 176.2 | 71.4 | 0 | 0 | 0 | 0 | 111.6 | L730 Q731 S733 D735 R738 L740 L765 R769 | L730-T767 CarbonylContact C-O 3.49Å; L730-T767 WeakPolarHBondContact CA-O 3.46Å; Q731-T767 PolarHBondContact N-O 3.26Å; Q731-T767 PolarHBondContact O-N 3.48Å; S733-T767 WeakPolarHBondContact CB-OG1 3.28Å; D735-T767 HydrophobicContact CB-CG2 4.41Å; D735-T767 VanDerWaalsContact O-CG2 3.26Å; D735-T767 WeakPolarHBondContact O-CG2 3.41Å; R738-T767 CarbonylContact O-C 3.57Å; R738-T767 WeakPolarHBondContact O-CA 3.41Å; R738-T767 WeakPolarHBondContact O-CB 3.33Å; L740-T767 VanDerWaalsContact CD1-C 3.46Å; L765-T767 PolarHBondContact O-N 3.47Å; T767-R769 PolarHBondContact O-N 3.25Å |
| 768 | Y | 87.3 | Confident | 74.6 | Confident | 94 Ų | 94 | 85.4 Ų | 85.4 | 37% | 0.369 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -65.5 | 127 | 171.8 | -66.7 | -69.4 | 0 | 0 | 0 | 110.5 | V727 L730 R738 L740 | V727-Y768 HydrophobicContact CG1-CD1 3.7Å; V727-Y768 HydrophobicContact CG1-CG 4.26Å; L730-Y768 HydrophobicContact CD2-CD1 3.82Å; L730-Y768 HydrophobicContact CD2-CE1 4.14Å; R738-Y768 WeakPolarHBondContact O-CD2 3.27Å; R738-Y768 PolarHBondContact O-N 2.85Å; L740-Y768 HydrophobicContact CD1-CD1 4.33Å; L740-Y768 HydrophobicContact CD1-CD2 4.39Å; L740-Y768 HydrophobicContact CD1-CE1 4.41Å; L740-Y768 HydrophobicContact CD1-CE2 4.46Å; L740-Y768 HydrophobicContact CD1-CG 4.33Å |
| 769 | R | 80.8 | Confident | 73.5 | Confident | 107 Ų | 107 | 83.3 Ų | 83.3 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -83.9 | 123.7 | 172.4 | -170.2 | -173.7 | -57.4 | 158.4 | 3.9 | 108.5 | V727 D728 G729 L730 Q731 T767 | V727-R769 CarbonylContact C-O 3.57Å; V727-R769 WeakPolarHBondContact CA-O 3.27Å; D728-R769 PolarHBondContact N-O 2.93Å; G729-R769 PolarHBondContact O-N 3.28Å; L730-R769 PolarHBondContact O-NH2 2.97Å; Q731-R769 HydrophobicContact CB-CB 4.4Å; Q731-R769 HydrophobicContact CG-CB 4.18Å; T767-R769 PolarHBondContact O-N 3.25Å |
| 770 | L | 71.6 | Confident | 71.9 | Confident | 49 Ų | 49 | 82.7 Ų | 82.7 | 26% | 0.257 | 39% | 0.387 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 137.5 | 178 | -61.9 | 172.9 | 0 | 0 | 0 | 109.8 | P724 Q726 V727 R738 | P724-L770 HydrophobicContact CB-CB 3.52Å; P724-L770 HydrophobicContact CB-CD1 3.16Å; P724-L770 HydrophobicContact CB-CD2 4.22Å; P724-L770 HydrophobicContact CB-CG 3.77Å; P724-L770 HydrophobicContact CG-CD1 3.58Å; Q726-L770 CarbonylContact O-C 3.53Å; Q726-L770 WeakPolarHBondContact O-CA 3.15Å; V727-L770 HydrophobicContact CB-CD2 4.31Å; V727-L770 HydrophobicContact CG2-CD2 3.57Å; R738-L770 VanDerWaalsContact NE-CD1 3.28Å |
| 771 | H | 53.7 | Low | 70.5 | Confident | 98 Ų | 98 | 87.1 Ų | 87.1 | 45% | 0.454 | 41% | 0.407 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.3 | 131.3 | 172.6 | -145.3 | 63.8 | 0 | 0 | 0 | 108.6 | E725 Q726 D728 | E725-H771 PolarHBondContact N-O 2.98Å; Q726-H771 PolarHBondContact N-O 3.03Å; Q726-H771 PolarHBondContact O-N 3.49Å; D728-H771 HydrophobicContact CB-CB 3.75Å |
| 772 | G | 49.2 | Very low | 69 | Low | 7 Ų | 7 | 86.9 Ų | 86.9 | 7% | 0.072 | 39% | 0.393 | C | S | . | . | trans | -150.4 | 138.3 | 173.6 | 0 | 0 | 0 | 0 | 0 | 107.9 | P720 A721 | P720-G772 CarbonylContact C-O 3.47Å; A721-G772 PolarHBondContact N-O 3.03Å | ||
| 773 | E | 48.3 | Very low | 67.2 | Low | 136 Ų | 136 | 84.6 Ų | 84.6 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -101.8 | 120.8 | -174 | -62.6 | -170.5 | 158.7 | 0 | 0 | 110.5 | ||
| 774 | S | 42.4 | Very low | 65.3 | Low | 43 Ų | 43 | 80.8 Ų | 80.8 | 30% | 0.301 | 37% | 0.374 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.3 | 155.5 | 167.7 | 69.1 | 0 | 0 | 0 | 0 | 111.3 | E719 A721 | E719-S774 CarbonylContact C-O 3.47Å; E719-S774 PolarHBondContact N-O 2.9Å; E719-S774 CarbonylContact O-C 3.47Å; E719-S774 PolarHBondContact O-N 3.28Å; E719-S774 VanDerWaalsContact O-N 3.12Å; E719-S774 PolarHBondContact O-OG 3.22Å; A721-S774 VanDerWaalsContact CA-OG 3.3Å; A721-S774 WeakPolarHBondContact CA-OG 3.1Å; A721-S774 PolarHBondContact N-OG 2.7Å |
| 775 | W | 49.9 | Very low | 63.1 | Low | 141 Ų | 141 | 81.6 Ų | 81.6 | 53% | 0.534 | 38% | 0.384 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 122.7 | -177.2 | -62.9 | 82.1 | 0 | 0 | 0 | 108.9 | M716 R718 | M716-W775 HydrophobicContact CB-CE3 4.31Å; M716-W775 HydrophobicContact CE-CB 3.7Å; R718-W775 HydrophobicContact CG-CD2 4.14Å; R718-W775 HydrophobicContact CG-CE3 3.73Å; R718-W775 HydrophobicContact CG-CH2 3.66Å; R718-W775 HydrophobicContact CG-CZ2 4.01Å; R718-W775 HydrophobicContact CG-CZ3 3.47Å; R718-W775 VanDerWaalsContact CG-CZ3 3.47Å; R718-W775 VanDerWaalsContact NE-CZ2 3.34Å |
| 776 | R | 43.4 | Very low | 60.8 | Low | 164 Ų | 164 | 88.2 Ų | 88.2 | 62% | 0.619 | 42% | 0.415 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 139.8 | 174.1 | -175 | 179.3 | 175.3 | 177.7 | 0.1 | 111.2 | V717 E719 K778 | V717-R776 PolarHBondContact N-O 3.28Å; V717-R776 PolarHBondContact O-N 3.32Å; V717-R776 VanDerWaalsContact O-O 3.05Å; E719-R776 VanDerWaalsContact OE2-CD 3.29Å; E719-R776 WeakPolarHBondContact OE2-CD 3.42Å; R776-K778 PolarHBondContact O-N 2.94Å |
| 777 | E | 49.7 | Very low | 57.9 | Low | 103 Ų | 103 | 93.6 Ų | 93.6 | 48% | 0.481 | 44% | 0.435 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -66.4 | 113.5 | 174.2 | -165.4 | 175.8 | -159.8 | 0 | 0 | 110.7 | R714 M716 | R714-E777 HydrophobicContact CB-CG 4Å; R714-E777 WeakPolarHBondContact CB-OE1 3.43Å; R714-E777 WeakPolarHBondContact CD-OE1 3.48Å; R714-E777 IonicContact NH1-OE1 3.62Å; M716-E777 HydrophobicContact SD-CB 4.06Å |
| 778 | K | 59.9 | Low | 55.2 | Low | 118 Ų | 118 | 98.2 Ų | 98.2 | 51% | 0.513 | 46% | 0.46 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.7 | 121.1 | 172.1 | -170 | 179.3 | -174.7 | 174.9 | 0 | 109 | T715 V717 R776 I780 | T715-K778 PolarHBondContact N-O 3.31Å; T715-K778 PolarHBondContact O-N 3.36Å; T715-K778 VanDerWaalsContact O-O 3.13Å; V717-K778 HydrophobicContact CB-CB 3.92Å; V717-K778 HydrophobicContact CB-CD 4.37Å; V717-K778 HydrophobicContact CG2-CB 3.48Å; V717-K778 VanDerWaalsContact CG2-CB 3.48Å; V717-K778 HydrophobicContact CG2-CD 3.81Å; V717-K778 HydrophobicContact CG2-CG 4.26Å; R776-K778 PolarHBondContact O-N 2.94Å; K778-I780 HydrophobicContact CD-CD1 4.4Å; K778-I780 HydrophobicContact CD-CG1 4.24Å; K778-I780 HydrophobicContact CG-CG1 4.12Å |
| 779 | V | 72.9 | Confident | 52.7 | Low | 82 Ų | 82 | 105 Ų | 105 | 50% | 0.497 | 49% | 0.486 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -81.7 | 120.3 | 172.5 | -169.7 | 0 | 0 | 0 | 0 | 108.1 | T712 R714 | T712-V779 HydrophobicContact CG2-CG1 4.03Å; R714-V779 HydrophobicContact CG-CG2 4.26Å |
| 780 | I | 60.7 | Low | 50.5 | Low | 73 Ų | 73 | 105.7 Ų | 105.7 | 37% | 0.374 | 50% | 0.498 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.3 | 126.2 | 177.1 | -54 | 174.5 | 0 | 0 | 0 | 107.3 | F713 K778 R782 | F713-I780 WeakPolarHBondContact CA-O 3.35Å; F713-I780 WeakPolarHBondContact CB-O 3.34Å; F713-I780 PolarHBondContact N-O 3.2Å; F713-I780 PolarHBondContact O-N 3.12Å; K778-I780 HydrophobicContact CD-CD1 4.4Å; K778-I780 HydrophobicContact CD-CG1 4.24Å; K778-I780 HydrophobicContact CG-CG1 4.12Å; I780-R782 PolarHBondContact O-N 3.38Å |
| 781 | E | 62.3 | Low | 49 | Very low | 131 Ų | 131 | 112.3 Ų | 112.3 | 61% | 0.612 | 53% | 0.528 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75 | 120.4 | 169.7 | -78.7 | -179 | -174.8 | 0 | 0 | 110 | M710 E711 T712 | M710-E781 HydrophobicContact CB-CB 4.08Å; M710-E781 HydrophobicContact CB-CG 4.42Å; E711-E781 WeakPolarHBondContact O-CA 3.46Å; T712-E781 HydrophobicContact CG2-CG 4.09Å |
| 782 | R | 59.6 | Low | 48.6 | Very low | 113 Ų | 113 | 111.7 Ų | 111.7 | 43% | 0.426 | 53% | 0.525 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 148.3 | 174.1 | 70.4 | -179.1 | -173.9 | 177.3 | 2.3 | 109.9 | M710 E711 F713 I780 V784 | M710-R782 WeakPolarHBondContact CA-O 3.29Å; M710-R782 VanDerWaalsContact SD-C 3.54Å; E711-R782 PolarHBondContact N-O 3.03Å; E711-R782 PolarHBondContact O-N 3.24Å; E711-R782 VanDerWaalsContact O-N 3.07Å; F713-R782 HydrophobicContact CB-CG 3.89Å; F713-R782 HydrophobicContact CG-CG 4.46Å; F713-R782 VanDerWaalsContact CG-CZ 3.44Å; F713-R782 VanDerWaalsContact CG-NE 3.34Å; I780-R782 PolarHBondContact O-N 3.38Å; R782-V784 PolarHBondContact O-N 3.49Å |
| 783 | P | 54.3 | Low | 48.8 | Very low | 58 Ų | 58 | 116.8 Ų | 116.8 | 38% | 0.377 | 56% | 0.557 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -58.6 | 132.8 | 173.5 | 22 | -30.6 | 0 | 0 | 0 | 109.2 | A708 M710 V785 | A708-P783 HydrophobicContact CB-CB 3.89Å; M710-P783 HydrophobicContact SD-CB 4.48Å; M710-P783 VanDerWaalsContact SD-N 3.43Å; P783-V785 PolarHBondContact O-N 3.13Å |
| 784 | V | 54.2 | Low | 49.8 | Very low | 38 Ų | 38 | 114.1 Ų | 114.1 | 23% | 0.23 | 54% | 0.541 | C | S | . | . | trans | -57.4 | 109.5 | 176.3 | 173 | 0 | 0 | 0 | 0 | 109.3 | A708 Q709 E711 R782 H786 | A708-V784 HydrophobicContact CB-CB 4.5Å; A708-V784 WeakPolarHBondContact CB-O 3.18Å; Q709-V784 VanDerWaalsContact O-CG2 3.31Å; Q709-V784 WeakPolarHBondContact O-CG2 3.4Å; Q709-V784 PolarHBondContact O-N 3.34Å; E711-V784 HydrophobicContact CB-CG2 3.5Å; E711-V784 VanDerWaalsContact CB-CG2 3.5Å; R782-V784 PolarHBondContact O-N 3.49Å; V784-H786 WeakPolarHBondContact CG1-CD2 3.43Å; V784-H786 VanDerWaalsContact CG1-NE2 3.27Å; V784-H786 WeakPolarHBondContact CG1-NE2 3.37Å | ||
| 785 | V | 47.3 | Very low | 51.6 | Low | 92 Ų | 92 | 112.2 Ų | 112.2 | 56% | 0.558 | 53% | 0.528 | S | S | * | . | trans | -101.8 | 83.5 | 168.9 | -176.1 | 0 | 0 | 0 | 0 | 106.7 | P783 K787 | P783-V785 PolarHBondContact O-N 3.13Å; V785-K787 VanDerWaalsContact C-N 3.34Å; V785-K787 HydrophobicContact CG1-CG 4.21Å; V785-K787 PolarHBondContact O-N 3.5Å | ||
| 786 | H | 43.5 | Very low | 53.4 | Low | 140 Ų | 140 | 105.9 Ų | 105.9 | 65% | 0.648 | 51% | 0.505 | S | S | * | . | trans | -58.7 | 101.8 | 163.7 | -75.4 | -61.4 | 0 | 0 | 0 | 107.6 | V784 D788 | V784-H786 WeakPolarHBondContact CG1-CD2 3.43Å; V784-H786 VanDerWaalsContact CG1-NE2 3.27Å; V784-H786 WeakPolarHBondContact CG1-NE2 3.37Å; H786-D788 WeakPolarHBondContact CB-OD2 3.23Å; H786-D788 IonicContact CG-OD2 3.9Å; H786-D788 IonicContact ND1-OD2 2.87Å; H786-D788 PolarHBondContact ND1-OD2 3.11Å; H786-D788 PolarHBondContact O-N 3.42Å | ||
| 787 | K | 34 | Very low | 55.7 | Low | 178 Ų | 178 | 98.1 Ų | 98.1 | 77% | 0.774 | 48% | 0.476 | S | S | * | . | trans | -84.9 | 53.3 | 160.9 | -75 | -169.9 | 177.2 | -178.7 | 0 | 108.2 | V785 Y789 | V785-K787 VanDerWaalsContact C-N 3.34Å; V785-K787 HydrophobicContact CG1-CG 4.21Å; V785-K787 PolarHBondContact O-N 3.5Å; K787-Y789 PolarHBondContact O-N 3.23Å | ||
| 788 | D | 33.7 | Very low | 57.7 | Low | 98 Ų | 98 | 93.2 Ų | 93.2 | 52% | 0.524 | 45% | 0.453 | S | S | . | . | trans | -78.2 | 118.6 | 167.8 | -66 | -42.2 | 0 | 0 | 0 | 105.7 | H786 D790 | H786-D788 WeakPolarHBondContact CB-OD2 3.23Å; H786-D788 IonicContact CG-OD2 3.9Å; H786-D788 IonicContact ND1-OD2 2.87Å; H786-D788 PolarHBondContact ND1-OD2 3.11Å; H786-D788 PolarHBondContact O-N 3.42Å; D788-D790 HydrophobicContact CB-CB 4.33Å; D788-D790 PolarHBondContact O-N 3.25Å | ||
| 789 | Y | 34.8 | Very low | 59.3 | Low | 236 Ų | 236 | 87.6 Ų | 87.6 | 93% | 0.925 | 43% | 0.428 | S | S | * | . | trans | -65.4 | 44.9 | 158.5 | -80.6 | -93.1 | 0 | 0 | 0 | 109.4 | K787 E791 | K787-Y789 PolarHBondContact O-N 3.23Å; Y789-E791 PolarHBondContact O-N 2.96Å; Y789-E791 VanDerWaalsContact O-N 3.12Å | ||
| 790 | D | 34.9 | Very low | 60.3 | Low | 122 Ų | 122 | 83.7 Ų | 83.7 | 65% | 0.652 | 41% | 0.405 | S | S | * | . | trans | -67.2 | 112.9 | 163.2 | -83.5 | -18.2 | 0 | 0 | 0 | 104.8 | D788 Q792 | D788-D790 HydrophobicContact CB-CB 4.33Å; D788-D790 PolarHBondContact O-N 3.25Å; D790-Q792 PolarHBondContact O-N 3.18Å | ||
| 791 | E | 40.1 | Very low | 61.8 | Low | 188 Ų | 188 | 80.2 Ų | 80.2 | 88% | 0.879 | 39% | 0.387 | S | S | * | . | trans | -47.2 | 96.6 | 162.6 | -68.8 | -175 | 156 | 0 | 0 | 106.7 | Y789 P793 | Y789-E791 PolarHBondContact O-N 2.96Å; Y789-E791 VanDerWaalsContact O-N 3.12Å; E791-P793 VanDerWaalsContact O-N 3.14Å | ||
| 792 | Q | 46 | Very low | 63.2 | Low | 84 Ų | 84 | 74 Ų | 74 | 39% | 0.393 | 36% | 0.358 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 129.7 | -179.5 | -77.1 | -174.1 | -7.2 | 0 | 0 | 107.1 | D790 R794 | D790-Q792 PolarHBondContact O-N 3.18Å; Q792-R794 PolarHBondContact O-N 2.95Å |
| 793 | P | 52.5 | Low | 64.6 | Low | 114 Ų | 114 | 69 Ų | 69 | 74% | 0.74 | 34% | 0.34 | S | S | * | . | P | Polyproline II helix | trans | -52.6 | 120.3 | -179.4 | 18.6 | -29.9 | 0 | 0 | 0 | 107.9 | R698 E791 G795 | R698-P793 PolarHBondContact NH1-O 3.18Å; E791-P793 VanDerWaalsContact O-N 3.14Å; P793-G795 PolarHBondContact O-N 2.72Å |
| 794 | R | 70 | Confident | 66.1 | Low | 81 Ų | 81 | 66.5 Ų | 66.5 | 31% | 0.306 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 132.9 | -177.6 | -68.6 | -177.8 | 174.8 | 164.2 | 5.2 | 108.5 | G695 R698 Q792 E829 R831 | G695-R794 PolarHBondContact O-NH1 3.49Å; R698-R794 HydrophobicContact CB-CG 4.25Å; Q792-R794 PolarHBondContact O-N 2.95Å; R794-E829 WeakPolarHBondContact CD-OE2 3.32Å; R794-E829 IonicContact CZ-OE1 3.98Å; R794-E829 IonicContact NH1-OE1 3.95Å; R794-E829 PolarHBondContact NH1-OE1 3.34Å; R794-E829 IonicContact NH1-OE2 3.55Å; R794-E829 PolarHBondContact NH1-OE2 3.4Å; R794-R831 HydrophobicContact CB-CG 4.49Å; R794-R831 WeakPolarHBondContact O-CG 3.3Å |
| 795 | G | 79 | Confident | 67.4 | Low | 2 Ų | 2 | 67.5 Ų | 67.5 | 2% | 0.021 | 34% | 0.342 | C | S | . | . | P | Polyproline II helix | trans | -62.1 | 163.2 | -173.8 | 0 | 0 | 0 | 0 | 0 | 113.5 | R698 P793 R831 D888 | R698-G795 VanDerWaalsContact NH1-N 3.15Å; P793-G795 PolarHBondContact O-N 2.72Å; G795-R831 PolarHBondContact O-NE 3.43Å; G795-R831 PolarHBondContact O-NH2 3.38Å; G795-D888 VanDerWaalsContact CA-OD2 3.27Å; G795-D888 WeakPolarHBondContact CA-OD2 3.39Å |
| 796 | P | 88.9 | Confident | 69.1 | Low | 9 Ų | 9 | 66.1 Ų | 66.1 | 6% | 0.058 | 34% | 0.336 | C | S | . | . | P | Polyproline II helix | trans | -72.1 | 163.9 | -176.9 | 30.9 | -34.8 | 0 | 0 | 0 | 112.8 | R832 W886 D888 A889 D890 | P796-R832 CarbonylContact C-O 3.52Å; P796-R832 WeakPolarHBondContact CA-O 3.4Å; P796-R832 HydrophobicContact CB-CB 3.73Å; P796-R832 WeakPolarHBondContact CB-O 3.36Å; P796-W886 HydrophobicContact CB-CE3 3.77Å; P796-W886 HydrophobicContact CB-CH2 4.47Å; P796-W886 HydrophobicContact CB-CZ3 3.63Å; P796-W886 HydrophobicContact CG-CD2 4.43Å; P796-W886 HydrophobicContact CG-CE3 3.72Å; P796-W886 HydrophobicContact CG-CZ3 4.13Å; P796-D888 WeakPolarHBondContact CD-OD1 3.33Å; P796-A889 HydrophobicContact CG-CB 3.74Å; P796-A889 CarbonylContact O-C 3.34Å; P796-A889 WeakPolarHBondContact O-CA 3.5Å; P796-A889 WeakPolarHBondContact O-CB 3.16Å; P796-D890 PolarHBondContact O-N 3.03Å |
| 797 | F | 90.6 | Very high | 71.1 | Confident | 0 Ų | 0 | 59.5 Ų | 59.5 | 0% | 0 | 31% | 0.306 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 128.2 | 175.5 | -62.1 | -62.9 | 0 | 0 | 0 | 111.2 | L694 V799 L822 I825 A826 R831 R832 Y834 D890 | L694-F797 HydrophobicContact CD2-CD1 4.03Å; L694-F797 HydrophobicContact CD2-CE1 3.55Å; L694-F797 HydrophobicContact CD2-CZ 4.44Å; F797-V799 HydrophobicContact CB-CG2 4.05Å; F797-L822 HydrophobicContact CE1-CD2 4.46Å; F797-L822 HydrophobicContact CZ-CD2 4.31Å; F797-I825 HydrophobicContact CE2-CG2 4.31Å; F797-I825 HydrophobicContact CZ-CG2 4.37Å; F797-A826 HydrophobicContact CD2-CB 4.08Å; F797-A826 HydrophobicContact CE2-CB 4.21Å; F797-R831 VanDerWaalsContact CZ-NH1 3.26Å; F797-R831 VanDerWaalsContact CZ-NH2 3.3Å; F797-R832 PolarHBondContact N-O 3.16Å; F797-Y834 PolarHBondContact O-N 3.4Å; F797-D890 HydrophobicContact CD1-CB 4.38Å |
| 798 | I | 92.5 | Very high | 73.6 | Confident | 0 Ų | 0 | 52.2 Ų | 52.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 108.1 | 162.5 | -63.2 | 172.8 | 0 | 0 | 0 | 107.1 | Y834 M836 I877 R880 L881 W886 A889 D890 A891 V892 | I798-Y834 HydrophobicContact CG2-CD1 4.34Å; I798-M836 HydrophobicContact CG2-SD 4.09Å; I798-I877 HydrophobicContact CG2-CG1 4.25Å; I798-R880 HydrophobicContact CD1-CB 4.14Å; I798-R880 HydrophobicContact CD1-CG 3.98Å; I798-L881 HydrophobicContact CD1-CD2 3.71Å; I798-L881 HydrophobicContact CD1-CG 4.19Å; I798-W886 HydrophobicContact CD1-CB 4.39Å; I798-W886 HydrophobicContact CD1-CE3 4.16Å; I798-W886 HydrophobicContact CG1-CE3 3.7Å; I798-W886 HydrophobicContact CG1-CZ3 4.15Å; I798-A889 HydrophobicContact CD1-CB 3.79Å; I798-A889 HydrophobicContact CG1-CB 3.95Å; I798-D890 PolarHBondContact N-O 3.21Å; I798-A891 CarbonylContact O-C 3.11Å; I798-A891 WeakPolarHBondContact O-CA 3.45Å; I798-V892 PolarHBondContact O-N 2.77Å |
| 799 | V | 94 | Very high | 76.1 | Confident | 0 Ų | 0 | 49.8 Ų | 49.8 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -108.8 | 113.9 | -175.7 | -171.1 | 0 | 0 | 0 | 0 | 109.6 | F797 V801 L822 Y834 I835 M836 V892 I894 | F797-V799 HydrophobicContact CB-CG2 4.05Å; V799-V801 HydrophobicContact CG1-CG2 4.25Å; V799-L822 HydrophobicContact CG1-CD1 4.3Å; V799-L822 HydrophobicContact CG2-CD1 3.57Å; V799-Y834 PolarHBondContact N-O 3.18Å; V799-I835 HydrophobicContact CB-CG1 4.29Å; V799-I835 CarbonylContact O-C 3.57Å; V799-I835 VanDerWaalsContact O-CA 3.24Å; V799-I835 WeakPolarHBondContact O-CA 3.46Å; V799-M836 PolarHBondContact O-N 3.45Å; V799-V892 CarbonylContact C-O 3.28Å; V799-V892 WeakPolarHBondContact CA-O 3.26Å; V799-V892 HydrophobicContact CG1-CB 4.44Å; V799-V892 HydrophobicContact CG2-CB 4.4Å; V799-I894 HydrophobicContact CG1-CD1 3.78Å; V799-I894 HydrophobicContact CG1-CG1 4.21Å |
| 800 | C | 93.6 | Very high | 78.7 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 24% | 0.24 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.3 | 126.7 | 174.8 | -59.1 | 0 | 0 | 0 | 0 | 110.1 | M836 F838 C873 I877 V892 V893 I894 | C800-M836 CarbonylContact C-O 3.59Å; C800-M836 VanDerWaalsContact CA-O 3.27Å; C800-M836 WeakPolarHBondContact CA-O 3.21Å; C800-F838 HydrophobicContact CB-CD1 3.91Å; C800-F838 HydrophobicContact CB-CE1 3.91Å; C800-C873 WeakPolarHBondContact CB-SG 3.45Å; C800-C873 VanDerWaalsContact SG-SG 3.66Å; C800-I877 WeakPolarHBondContact SG-CD1 3.36Å; C800-I877 WeakPolarHBondContact SG-CG1 3.17Å; C800-V892 PolarHBondContact N-O 2.91Å; C800-V893 HydrophobicContact CB-CG2 4.3Å; C800-V893 CarbonylContact O-C 3.59Å; C800-V893 WeakPolarHBondContact O-CA 3.4Å; C800-I894 PolarHBondContact O-N 3.35Å |
| 801 | V | 92.8 | Very high | 81.3 | Confident | 0 Ų | 0 | 35.1 Ų | 35.1 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.9 | 122.5 | -177.6 | -170.7 | 0 | 0 | 0 | 0 | 109.9 | V799 A815 C819 I835 M836 L837 F838 F859 F864 I894 | V799-V801 HydrophobicContact CG1-CG2 4.25Å; V801-A815 HydrophobicContact CG1-CB 3.81Å; V801-C819 VanDerWaalsContact CG2-SG 3.57Å; V801-I835 HydrophobicContact CG2-CG2 4.14Å; V801-M836 PolarHBondContact N-O 3.08Å; V801-L837 HydrophobicContact CB-CD2 3.73Å; V801-L837 HydrophobicContact CG1-CD2 4.23Å; V801-L837 HydrophobicContact CG2-CD2 4.28Å; V801-F838 WeakPolarHBondContact O-CD1 3.37Å; V801-F838 PolarHBondContact O-N 3.36Å; V801-F859 HydrophobicContact CG2-CE2 4.42Å; V801-F864 HydrophobicContact CG1-CE2 3.82Å; V801-F864 HydrophobicContact CG1-CZ 3.65Å; V801-I894 HydrophobicContact CG2-CD1 4.15Å |
| 802 | D | 90.6 | Very high | 83.7 | Confident | 0 Ų | 0 | 27.5 Ų | 27.5 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -70.9 | 125.7 | 174 | -174.3 | -0.3 | 0 | 0 | 0 | 110.1 | S804 M807 F838 T868 I894 S895 | D802-S804 WeakPolarHBondContact OD1-CB 3.43Å; D802-S804 PolarHBondContact OD1-N 2.89Å; D802-S804 PolarHBondContact OD1-OG 3.02Å; D802-S804 PolarHBondContact OD2-OG 3.45Å; D802-M807 HydrophobicContact CB-CG 3.95Å; D802-M807 WeakPolarHBondContact O-CB 3.42Å; D802-F838 HydrophobicContact CB-CE1 3.96Å; D802-F838 HydrophobicContact CB-CE2 3.89Å; D802-F838 HydrophobicContact CB-CZ 3.45Å; D802-F838 VanDerWaalsContact CB-CZ 3.45Å; D802-T868 PolarHBondContact OD1-OG1 3.07Å; D802-I894 VanDerWaalsContact CB-O 3.25Å; D802-I894 WeakPolarHBondContact CB-O 3.25Å; D802-I894 PolarHBondContact N-O 3.35Å; D802-S895 PolarHBondContact OD2-OG 3.21Å |
| 803 | T | 89.3 | Confident | 85.8 | Confident | 10 Ų | 10 | 26.9 Ų | 26.9 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | trans | -106.7 | 18.3 | -178.9 | 60.5 | 0 | 0 | 0 | 0 | 113.2 | L837 F838 S839 F864 R865 G866 | T803-L837 HydrophobicContact CG2-CB 3.82Å; T803-L837 HydrophobicContact CG2-CD1 4.46Å; T803-L837 HydrophobicContact CG2-CD2 3.8Å; T803-L837 HydrophobicContact CG2-CG 4.23Å; T803-F838 PolarHBondContact N-O 2.99Å; T803-F838 VanDerWaalsContact N-O 3.17Å; T803-F838 PolarHBondContact OG1-O 3.26Å; T803-S839 WeakPolarHBondContact OG1-CB 3.37Å; T803-F864 HydrophobicContact CG2-CD1 3.67Å; T803-F864 HydrophobicContact CG2-CD2 4.5Å; T803-F864 HydrophobicContact CG2-CE1 3.8Å; T803-F864 HydrophobicContact CG2-CG 4.08Å; T803-F864 HydrophobicContact CG2-CZ 4.27Å; T803-F864 CarbonylContact O-C 3.59Å; T803-R865 PolarHBondContact O-N 2.79Å; T803-G866 PolarHBondContact O-N 2.96Å | ||
| 804 | S | 86.6 | Confident | 87.7 | Confident | 4 Ų | 4 | 21.4 Ų | 21.4 | 3% | 0.028 | 14% | 0.142 | C | C | . | . | B | Isolated β-bridge | trans | -60.5 | 157.2 | 177.4 | 64.8 | 0 | 0 | 0 | 0 | 113.9 | D802 S806 M807 G866 T868 | D802-S804 WeakPolarHBondContact OD1-CB 3.43Å; D802-S804 PolarHBondContact OD1-N 2.89Å; D802-S804 PolarHBondContact OD1-OG 3.02Å; D802-S804 PolarHBondContact OD2-OG 3.45Å; S804-S806 PolarHBondContact O-N 2.7Å; S804-S806 VanDerWaalsContact O-N 3.15Å; S804-S806 PolarHBondContact OG-OG 3.34Å; S804-M807 WeakPolarHBondContact O-CA 3.43Å; S804-M807 WeakPolarHBondContact O-CB 3.34Å; S804-M807 PolarHBondContact O-N 2.95Å; S804-M807 WeakPolarHBondContact OG-CG 3.25Å; S804-G866 VanDerWaalsContact CA-O 3.31Å; S804-G866 WeakPolarHBondContact CA-O 3.45Å; S804-T868 WeakPolarHBondContact CB-OG1 3.33Å |
| 805 | G | 80.6 | Confident | 88.7 | Confident | 59 Ų | 59 | 17.6 Ų | 17.6 | 61% | 0.608 | 13% | 0.127 | S | C | * | . | G | 310 helix | trans | -56.6 | -29.6 | 179 | 0 | 0 | 0 | 0 | 0 | 114.5 | M807 G808 G866 | G805-M807 VanDerWaalsContact C-N 3.31Å; G805-G808 PolarHBondContact O-N 2.77Å; G805-G866 PolarHBondContact N-O 3.25Å |
| 806 | S | 82.2 | Confident | 89.4 | Confident | 64 Ų | 64 | 17.7 Ų | 17.7 | 45% | 0.448 | 13% | 0.127 | S | C | . | . | G | 310 helix | trans | -74.7 | -20.7 | 175.6 | 54.5 | 0 | 0 | 0 | 0 | 113.5 | S804 G808 N811 D896 | S804-S806 PolarHBondContact O-N 2.7Å; S804-S806 VanDerWaalsContact O-N 3.15Å; S804-S806 PolarHBondContact OG-OG 3.34Å; S806-G808 VanDerWaalsContact C-N 3.28Å; S806-N811 PolarHBondContact O-ND2 2.96Å; S806-D896 WeakPolarHBondContact CB-OD2 3.33Å; S806-D896 PolarHBondContact OG-OD2 3.2Å |
| 807 | M | 87.5 | Confident | 89.6 | Confident | 0 Ų | 0 | 17.2 Ų | 17.2 | 0% | 0 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -83.1 | -1.6 | 171.2 | -69.1 | -67.8 | -67.5 | 0 | 0 | 112.8 | D802 S804 G805 N811 E812 A815 F864 I894 D896 M926 | D802-M807 HydrophobicContact CB-CG 3.95Å; D802-M807 WeakPolarHBondContact O-CB 3.42Å; S804-M807 WeakPolarHBondContact O-CA 3.43Å; S804-M807 WeakPolarHBondContact O-CB 3.34Å; S804-M807 PolarHBondContact O-N 2.95Å; S804-M807 WeakPolarHBondContact OG-CG 3.25Å; G805-M807 VanDerWaalsContact C-N 3.31Å; M807-N811 CarbonylContact O-C 3.49Å; M807-N811 VanDerWaalsContact O-CB 3.28Å; M807-N811 WeakPolarHBondContact O-CB 3.45Å; M807-N811 HydrophobicContact SD-CB 4.27Å; M807-E812 VanDerWaalsContact O-CA 3.31Å; M807-E812 WeakPolarHBondContact O-CA 3.39Å; M807-E812 VanDerWaalsContact O-CB 3.31Å; M807-E812 WeakPolarHBondContact O-CB 3.44Å; M807-E812 PolarHBondContact O-N 2.95Å; M807-A815 HydrophobicContact CE-CB 4.39Å; M807-F864 HydrophobicContact CB-CD2 4.06Å; M807-I894 HydrophobicContact CE-CG2 4.21Å; M807-D896 HydrophobicContact SD-CB 4.17Å; M807-D896 PolarHBondContact SD-N 3.24Å; M807-M926 HydrophobicContact CE-CB 4.38Å; M807-M926 HydrophobicContact CE-CG 3.94Å; M807-M926 HydrophobicContact SD-CB 4.19Å; M807-M926 HydrophobicContact SD-CG 4.39Å |
| 808 | G | 85.6 | Confident | 89.8 | Confident | 25 Ų | 25 | 17.2 Ų | 17.2 | 26% | 0.258 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.4 | 163.5 | 177 | 0 | 0 | 0 | 0 | 0 | 114.7 | G805 S806 F810 | G805-G808 PolarHBondContact O-N 2.77Å; S806-G808 VanDerWaalsContact C-N 3.28Å; G808-F810 PolarHBondContact O-N 2.69Å |
| 809 | G | 86.8 | Confident | 89.8 | Confident | 47 Ų | 47 | 17.2 Ų | 17.2 | 49% | 0.485 | 12% | 0.124 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 74.6 | -119.9 | 172.3 | 0 | 0 | 0 | 0 | 0 | 113.6 | E812 Q813 | G809-E812 WeakPolarHBondContact O-CB 3.46Å; G809-E812 PolarHBondContact O-N 2.67Å; G809-Q813 WeakPolarHBondContact O-CG 3.43Å; G809-Q813 PolarHBondContact O-N 2.96Å; G809-Q813 VanDerWaalsContact O-N 3.15Å |
| 810 | F | 88.1 | Confident | 89.7 | Confident | 26 Ų | 26 | 17.4 Ų | 17.4 | 11% | 0.114 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -71.1 | -31.7 | -177.3 | -174.5 | -104.5 | 0 | 0 | 0 | 112.7 | F680 G808 E812 Q813 C814 T946 R951 | F680-F810 HydrophobicContact CE2-CD2 4.32Å; F680-F810 AromaticContact CE2-CE2 3.82Å; F680-F810 HydrophobicContact CE2-CE2 3.82Å; F680-F810 HydrophobicContact CZ-CD2 4.1Å; F680-F810 AromaticContact CZ-CE2 3.58Å; F680-F810 HydrophobicContact CZ-CE2 3.58Å; F680-F810 HydrophobicContact CZ-CZ 4.21Å; G808-F810 PolarHBondContact O-N 2.69Å; F810-E812 VanDerWaalsContact C-N 3.34Å; F810-Q813 PolarHBondContact O-N 3.36Å; F810-C814 WeakPolarHBondContact CE1-SG 3.47Å; F810-C814 VanDerWaalsContact CZ-SG 3.57Å; F810-C814 PolarHBondContact O-N 3.25Å; F810-C814 PolarHBondContact O-SG 3.09Å; F810-T946 HydrophobicContact CD1-CG2 4.33Å; F810-T946 HydrophobicContact CE1-CG2 4.41Å; F810-R951 HydrophobicContact CD1-CG 4.26Å; F810-R951 HydrophobicContact CE1-CG 3.76Å; F810-R951 HydrophobicContact CZ-CG 4.18Å |
| 811 | N | 89.2 | Confident | 89.6 | Confident | 24 Ų | 24 | 17.4 Ų | 17.4 | 13% | 0.128 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.2 | -43 | 175.1 | -72.3 | -10.9 | 0 | 0 | 0 | 110.6 | S806 M807 C814 A815 T946 | S806-N811 PolarHBondContact O-ND2 2.96Å; M807-N811 CarbonylContact O-C 3.49Å; M807-N811 VanDerWaalsContact O-CB 3.28Å; M807-N811 WeakPolarHBondContact O-CB 3.45Å; M807-N811 HydrophobicContact SD-CB 4.27Å; N811-C814 PolarHBondContact O-N 2.98Å; N811-A815 WeakPolarHBondContact O-CB 3.12Å; N811-A815 PolarHBondContact O-N 2.71Å; N811-T946 WeakPolarHBondContact OD1-CB 3.23Å; N811-T946 WeakPolarHBondContact OD1-CG2 3.39Å; N811-T946 PolarHBondContact OD1-OG1 3.24Å |
| 812 | E | 90.8 | Very high | 89.6 | Confident | 28 Ų | 28 | 17.4 Ų | 17.4 | 13% | 0.131 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -59.7 | -47.6 | 175.1 | 174.7 | -176.6 | 160.1 | 0 | 0 | 110.6 | M807 G809 F810 C814 A815 K816 F864 | M807-E812 VanDerWaalsContact O-CA 3.31Å; M807-E812 WeakPolarHBondContact O-CA 3.39Å; M807-E812 VanDerWaalsContact O-CB 3.31Å; M807-E812 WeakPolarHBondContact O-CB 3.44Å; M807-E812 PolarHBondContact O-N 2.95Å; G809-E812 WeakPolarHBondContact O-CB 3.46Å; G809-E812 PolarHBondContact O-N 2.67Å; F810-E812 VanDerWaalsContact C-N 3.34Å; E812-C814 VanDerWaalsContact C-N 3.33Å; E812-C814 PolarHBondContact O-N 2.92Å; E812-A815 PolarHBondContact O-N 2.99Å; E812-K816 HydrophobicContact CG-CD 4.09Å; E812-K816 WeakPolarHBondContact O-CB 3.33Å; E812-K816 WeakPolarHBondContact O-CG 3.35Å; E812-K816 PolarHBondContact O-N 3.19Å; E812-K816 IonicContact OE1-NZ 2.92Å; E812-K816 PolarHBondContact OE1-NZ 2.92Å; E812-F864 HydrophobicContact CB-CD2 3.64Å; E812-F864 HydrophobicContact CB-CE2 3.92Å; E812-F864 HydrophobicContact CB-CG 4.14Å; E812-F864 HydrophobicContact CG-CB 4.43Å; E812-F864 HydrophobicContact CG-CD1 4Å; E812-F864 HydrophobicContact CG-CD2 3.66Å; E812-F864 HydrophobicContact CG-CE1 4.11Å; E812-F864 HydrophobicContact CG-CE2 3.8Å; E812-F864 HydrophobicContact CG-CG 3.76Å; E812-F864 HydrophobicContact CG-CZ 4.01Å |
| 813 | Q | 91.2 | Very high | 89.7 | Confident | 71 Ų | 71 | 17.5 Ų | 17.5 | 33% | 0.332 | 13% | 0.126 | S | C | . | . | H | α-helix | trans | -61.1 | -42.5 | 178.2 | -70.1 | 175.8 | -10.1 | 0 | 0 | 112.1 | Y677 F680 G809 F810 A817 | Y677-Q813 HydrophobicContact CE1-CB 4.29Å; Y677-Q813 HydrophobicContact CE1-CG 4.2Å; F680-Q813 HydrophobicContact CE1-CB 3.96Å; F680-Q813 HydrophobicContact CE2-CB 4.28Å; F680-Q813 HydrophobicContact CZ-CB 3.78Å; G809-Q813 WeakPolarHBondContact O-CG 3.43Å; G809-Q813 PolarHBondContact O-N 2.96Å; G809-Q813 VanDerWaalsContact O-N 3.15Å; F810-Q813 PolarHBondContact O-N 3.36Å; Q813-A817 VanDerWaalsContact O-CB 3.22Å; Q813-A817 WeakPolarHBondContact O-CB 3.46Å; Q813-A817 PolarHBondContact O-N 3.29Å |
| 814 | C | 91.5 | Very high | 89.7 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -66.3 | -42.2 | 176.5 | -65.6 | 0 | 0 | 0 | 0 | 111.8 | L687 F810 N811 E812 F818 M926 F944 | L687-C814 HydrophobicContact CD2-CB 4.41Å; L687-C814 WeakPolarHBondContact CD2-O 3.37Å; F810-C814 WeakPolarHBondContact CE1-SG 3.47Å; F810-C814 VanDerWaalsContact CZ-SG 3.57Å; F810-C814 PolarHBondContact O-N 3.25Å; F810-C814 PolarHBondContact O-SG 3.09Å; N811-C814 PolarHBondContact O-N 2.98Å; E812-C814 VanDerWaalsContact C-N 3.33Å; E812-C814 PolarHBondContact O-N 2.92Å; C814-F818 WeakPolarHBondContact O-CB 3.2Å; C814-F818 PolarHBondContact O-N 3.3Å; C814-M926 HydrophobicContact CB-CE 3.58Å; C814-M926 HydrophobicContact CB-SD 4.36Å; C814-F944 HydrophobicContact CB-CE1 4.12Å |
| 815 | A | 92.1 | Very high | 89.9 | Confident | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -63.4 | -46.1 | 178.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | V801 M807 N811 E812 F818 C819 F864 I894 M926 | V801-A815 HydrophobicContact CG1-CB 3.81Å; M807-A815 HydrophobicContact CE-CB 4.39Å; N811-A815 WeakPolarHBondContact O-CB 3.12Å; N811-A815 PolarHBondContact O-N 2.71Å; E812-A815 PolarHBondContact O-N 2.99Å; A815-F818 PolarHBondContact O-N 2.93Å; A815-C819 PolarHBondContact O-N 2.86Å; A815-C819 PolarHBondContact O-SG 2.82Å; A815-C819 VanDerWaalsContact O-SG 3.34Å; A815-F864 HydrophobicContact CB-CE2 4.22Å; A815-I894 HydrophobicContact CB-CG2 4.08Å; A815-M926 HydrophobicContact CB-CE 4.12Å |
| 816 | K | 93.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 15.1 Ų | 15.1 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -62.4 | -46.6 | 176.4 | -76.4 | 177.9 | 176.2 | 176.1 | 0 | 112.9 | Y677 E812 F818 C819 L820 F859 L860 Q862 F864 | Y677-K816 HydrophobicContact CD1-CB 4.06Å; Y677-K816 HydrophobicContact CE1-CB 3.85Å; Y677-K816 HydrophobicContact CE1-CD 4.02Å; Y677-K816 HydrophobicContact CE2-CD 4.12Å; Y677-K816 WeakPolarHBondContact OH-CD 3.39Å; E812-K816 HydrophobicContact CG-CD 4.09Å; E812-K816 WeakPolarHBondContact O-CB 3.33Å; E812-K816 WeakPolarHBondContact O-CG 3.35Å; E812-K816 PolarHBondContact O-N 3.19Å; E812-K816 IonicContact OE1-NZ 2.92Å; E812-K816 PolarHBondContact OE1-NZ 2.92Å; K816-F818 VanDerWaalsContact C-N 3.31Å; K816-F818 PolarHBondContact O-N 3.35Å; K816-C819 WeakPolarHBondContact O-CB 3.31Å; K816-C819 PolarHBondContact O-N 2.8Å; K816-L820 PolarHBondContact O-N 2.87Å; K816-F859 HydrophobicContact CB-CE1 4.33Å; K816-F859 HydrophobicContact CB-CZ 4.34Å; K816-F859 HydrophobicContact CG-CE1 4.09Å; K816-F859 HydrophobicContact CG-CZ 3.85Å; K816-L860 HydrophobicContact CB-CD2 3.74Å; K816-L860 HydrophobicContact CD-CD2 4.24Å; K816-L860 WeakPolarHBondContact CE-O 3.14Å; K816-L860 HydrophobicContact CG-CD2 4.1Å; K816-L860 PolarHBondContact NZ-O 2.86Å; K816-Q862 WeakPolarHBondContact CE-O 3.32Å; K816-Q862 PolarHBondContact NZ-O 2.98Å; K816-F864 HydrophobicContact CG-CZ 4.38Å |
| 817 | A | 92.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -64.6 | -36.1 | 177 | 0 | 0 | 0 | 0 | 0 | 112.3 | F680 L681 L687 Q813 L820 A821 | F680-A817 HydrophobicContact CD1-CB 3.63Å; F680-A817 HydrophobicContact CE1-CB 3.98Å; L681-A817 HydrophobicContact CB-CB 4.22Å; L681-A817 HydrophobicContact CD1-CB 4.35Å; L687-A817 HydrophobicContact CD2-CB 3.99Å; Q813-A817 VanDerWaalsContact O-CB 3.22Å; Q813-A817 WeakPolarHBondContact O-CB 3.46Å; Q813-A817 PolarHBondContact O-N 3.29Å; A817-L820 WeakPolarHBondContact O-CB 3.28Å; A817-L820 PolarHBondContact O-N 3.19Å; A817-A821 PolarHBondContact O-N 3.43Å |
| 818 | F | 93.7 | Very high | 90.7 | Very high | 0 Ų | 0 | 12.9 Ų | 12.9 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66 | -43.6 | 175.1 | -173.4 | -102.2 | 0 | 0 | 0 | 112.1 | L687 L690 A691 L694 C814 A815 K816 L820 A821 L822 V892 I894 V924 | L687-F818 HydrophobicContact CD1-CB 4.02Å; L687-F818 HydrophobicContact CD1-CD2 3.67Å; L687-F818 HydrophobicContact CD1-CG 4.22Å; L687-F818 HydrophobicContact CD2-CB 4.25Å; L687-F818 HydrophobicContact CG-CB 4.19Å; L687-F818 HydrophobicContact CG-CD2 3.97Å; L690-F818 HydrophobicContact CB-CE2 4.23Å; L690-F818 HydrophobicContact CD2-CD2 4.37Å; L690-F818 HydrophobicContact CD2-CE2 3.3Å; L690-F818 HydrophobicContact CD2-CZ 3.46Å; L690-F818 VanDerWaalsContact CD2-CZ 3.46Å; L690-F818 HydrophobicContact CG-CE2 4.32Å; A691-F818 HydrophobicContact CB-CD2 4.12Å; A691-F818 HydrophobicContact CB-CE2 3.68Å; A691-F818 HydrophobicContact CB-CZ 4.37Å; L694-F818 HydrophobicContact CD1-CZ 4.22Å; C814-F818 WeakPolarHBondContact O-CB 3.2Å; C814-F818 PolarHBondContact O-N 3.3Å; A815-F818 PolarHBondContact O-N 2.93Å; K816-F818 VanDerWaalsContact C-N 3.31Å; K816-F818 PolarHBondContact O-N 3.35Å; F818-L820 VanDerWaalsContact C-N 3.27Å; F818-L820 PolarHBondContact O-N 2.94Å; F818-A821 WeakPolarHBondContact O-CB 3.38Å; F818-A821 PolarHBondContact O-N 3.43Å; F818-A821 VanDerWaalsContact O-N 3.12Å; F818-L822 HydrophobicContact CD1-CD1 4.02Å; F818-L822 HydrophobicContact CD1-CG 4.36Å; F818-L822 HydrophobicContact CE1-CD1 3.57Å; F818-L822 HydrophobicContact CE1-CD2 4.49Å; F818-L822 HydrophobicContact CE1-CG 4.03Å; F818-L822 HydrophobicContact CZ-CD1 4.24Å; F818-L822 HydrophobicContact CZ-CD2 4.37Å; F818-L822 HydrophobicContact CZ-CG 4.33Å; F818-L822 PolarHBondContact O-N 3.03Å; F818-V892 HydrophobicContact CE1-CG1 4.31Å; F818-I894 HydrophobicContact CD1-CD1 3.53Å; F818-I894 HydrophobicContact CD1-CG1 4.46Å; F818-I894 HydrophobicContact CE1-CD1 4.13Å; F818-I894 HydrophobicContact CG-CD1 4.5Å; F818-V924 HydrophobicContact CE1-CG2 3.85Å; F818-V924 HydrophobicContact CZ-CG2 4.04Å |
| 819 | C | 93.5 | Very high | 90.7 | Very high | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -58.3 | -40.1 | 171.9 | -73.5 | 0 | 0 | 0 | 0 | 112.2 | V801 A815 K816 A821 L822 M823 I835 F859 | V801-C819 VanDerWaalsContact CG2-SG 3.57Å; A815-C819 PolarHBondContact O-N 2.86Å; A815-C819 PolarHBondContact O-SG 2.82Å; A815-C819 VanDerWaalsContact O-SG 3.34Å; K816-C819 WeakPolarHBondContact O-CB 3.31Å; K816-C819 PolarHBondContact O-N 2.8Å; C819-A821 VanDerWaalsContact C-N 3.34Å; C819-L822 PolarHBondContact O-N 3.47Å; C819-M823 WeakPolarHBondContact O-CB 3.43Å; C819-M823 PolarHBondContact O-N 2.93Å; C819-I835 HydrophobicContact CB-CD1 3.57Å; C819-F859 HydrophobicContact CB-CE1 3.69Å; C819-F859 HydrophobicContact CB-CZ 3.66Å |
| 820 | L | 91.9 | Very high | 90.6 | Very high | 4 Ų | 4 | 18.7 Ų | 18.7 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -65 | -37.5 | 175 | -164 | 67.3 | 0 | 0 | 0 | 112.1 | I647 L648 I674 K816 A817 F818 M823 R824 | I647-L820 HydrophobicContact CG2-CD2 4.43Å; L648-L820 HydrophobicContact CD2-CD1 3.76Å; L648-L820 HydrophobicContact CD2-CG 4.06Å; I674-L820 HydrophobicContact CG2-CD1 4.18Å; I674-L820 HydrophobicContact CG2-CD2 4.35Å; K816-L820 PolarHBondContact O-N 2.87Å; A817-L820 WeakPolarHBondContact O-CB 3.28Å; A817-L820 PolarHBondContact O-N 3.19Å; F818-L820 VanDerWaalsContact C-N 3.27Å; F818-L820 PolarHBondContact O-N 2.94Å; L820-M823 HydrophobicContact CD1-SD 4.08Å; L820-M823 WeakPolarHBondContact O-CB 3.36Å; L820-M823 PolarHBondContact O-N 3.44Å; L820-R824 PolarHBondContact O-N 2.87Å |
| 821 | A | 92.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 17.8 Ų | 17.8 | 0% | 0 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -64.1 | -41.7 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | L681 A691 A817 F818 C819 R824 I825 | L681-A821 HydrophobicContact CD1-CB 3.97Å; L681-A821 HydrophobicContact CD2-CB 3.62Å; L681-A821 HydrophobicContact CG-CB 4.44Å; A691-A821 HydrophobicContact CB-CB 3.61Å; A817-A821 PolarHBondContact O-N 3.43Å; F818-A821 WeakPolarHBondContact O-CB 3.38Å; F818-A821 PolarHBondContact O-N 3.43Å; F818-A821 VanDerWaalsContact O-N 3.12Å; C819-A821 VanDerWaalsContact C-N 3.34Å; A821-R824 WeakPolarHBondContact O-CB 3.37Å; A821-R824 PolarHBondContact O-N 3.46Å; A821-I825 WeakPolarHBondContact O-CG1 3.28Å; A821-I825 PolarHBondContact O-N 3.06Å; A821-I825 VanDerWaalsContact O-N 3.1Å |
| 822 | L | 91.9 | Very high | 90.6 | Very high | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -66.8 | -39.1 | 174.6 | -68.5 | -179.2 | 0 | 0 | 0 | 111.9 | A691 L694 F797 V799 F818 C819 R824 I825 A826 | A691-L822 HydrophobicContact CB-CD2 4.18Å; L694-L822 HydrophobicContact CD2-CD2 4.01Å; F797-L822 HydrophobicContact CE1-CD2 4.46Å; F797-L822 HydrophobicContact CZ-CD2 4.31Å; V799-L822 HydrophobicContact CG1-CD1 4.3Å; V799-L822 HydrophobicContact CG2-CD1 3.57Å; F818-L822 HydrophobicContact CD1-CD1 4.02Å; F818-L822 HydrophobicContact CD1-CG 4.36Å; F818-L822 HydrophobicContact CE1-CD1 3.57Å; F818-L822 HydrophobicContact CE1-CD2 4.49Å; F818-L822 HydrophobicContact CE1-CG 4.03Å; F818-L822 HydrophobicContact CZ-CD1 4.24Å; F818-L822 HydrophobicContact CZ-CD2 4.37Å; F818-L822 HydrophobicContact CZ-CG 4.33Å; F818-L822 PolarHBondContact O-N 3.03Å; C819-L822 PolarHBondContact O-N 3.47Å; L822-R824 VanDerWaalsContact C-N 3.34Å; L822-R824 PolarHBondContact O-N 3.11Å; L822-I825 PolarHBondContact O-N 3.5Å; L822-A826 VanDerWaalsContact O-CB 3.27Å; L822-A826 WeakPolarHBondContact O-CB 3.42Å; L822-A826 PolarHBondContact O-N 2.8Å |
| 823 | M | 91.7 | Very high | 90.6 | Very high | 1 Ų | 1 | 18.5 Ų | 18.5 | 1% | 0.005 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -58.1 | -46.3 | 171.4 | 178.3 | -175.1 | 177.3 | 0 | 0 | 111 | L648 M661 C819 L820 I825 A826 L827 L847 A856 | L648-M823 HydrophobicContact CD1-CE 4.13Å; L648-M823 HydrophobicContact CD2-SD 4.42Å; M661-M823 HydrophobicContact CE-CE 3.63Å; C819-M823 WeakPolarHBondContact O-CB 3.43Å; C819-M823 PolarHBondContact O-N 2.93Å; L820-M823 HydrophobicContact CD1-SD 4.08Å; L820-M823 WeakPolarHBondContact O-CB 3.36Å; L820-M823 PolarHBondContact O-N 3.44Å; M823-I825 PolarHBondContact O-N 3.31Å; M823-A826 WeakPolarHBondContact O-CB 3.15Å; M823-A826 PolarHBondContact O-N 2.85Å; M823-A826 VanDerWaalsContact O-N 3.15Å; M823-L827 HydrophobicContact CE-CD1 4.05Å; M823-L827 HydrophobicContact CG-CD1 4.23Å; M823-L827 HydrophobicContact CG-CG 4.43Å; M823-L827 WeakPolarHBondContact O-CG 3.49Å; M823-L827 PolarHBondContact O-N 2.97Å; M823-L847 HydrophobicContact CB-CD1 4.05Å; M823-L847 HydrophobicContact CG-CB 4.07Å; M823-L847 HydrophobicContact CG-CD1 4.22Å; M823-L847 HydrophobicContact SD-CB 4.04Å; M823-L847 HydrophobicContact SD-CD1 3.79Å; M823-A856 HydrophobicContact CE-CB 4.46Å; M823-A856 HydrophobicContact SD-CB 4.16Å |
| 824 | R | 90.5 | Very high | 90.8 | Very high | 9 Ų | 9 | 15.8 Ų | 15.8 | 3% | 0.034 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -57.4 | -47.3 | 177 | -172.4 | 176.9 | 74.3 | -153.1 | -19.4 | 112 | I647 L648 D650 K688 L820 A821 L822 A826 L827 A828 | I647-R824 VanDerWaalsContact O-CD 3.27Å; I647-R824 WeakPolarHBondContact O-CD 3.23Å; L648-R824 WeakPolarHBondContact O-CG 3.25Å; D650-R824 IonicContact OD1-NE 2.82Å; D650-R824 VanDerWaalsContact OD2-CD 3.31Å; D650-R824 WeakPolarHBondContact OD2-CD 3.4Å; D650-R824 IonicContact OD2-CZ 3.55Å; D650-R824 IonicContact OD2-NE 2.92Å; D650-R824 PolarHBondContact OD2-NE 3.21Å; K688-R824 VanDerWaalsContact CD-NH2 3.29Å; L820-R824 PolarHBondContact O-N 2.87Å; A821-R824 WeakPolarHBondContact O-CB 3.37Å; A821-R824 PolarHBondContact O-N 3.46Å; L822-R824 VanDerWaalsContact C-N 3.34Å; L822-R824 PolarHBondContact O-N 3.11Å; R824-A826 VanDerWaalsContact C-N 3.32Å; R824-A826 PolarHBondContact O-N 2.96Å; R824-L827 PolarHBondContact O-N 2.87Å; R824-A828 PolarHBondContact O-N 3.47Å |
| 825 | I | 89.9 | Confident | 90.9 | Very high | 15 Ų | 15 | 15.8 Ų | 15.8 | 8% | 0.077 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.4 | -42.8 | 176.5 | -65.5 | 166.4 | 0 | 0 | 0 | 110.4 | A691 E692 F797 A821 L822 M823 L827 A828 E829 | A691-I825 VanDerWaalsContact C-CD1 3.47Å; A691-I825 HydrophobicContact CB-CD1 4.03Å; A691-I825 VanDerWaalsContact O-CD1 3.29Å; A691-I825 WeakPolarHBondContact O-CD1 3.4Å; E692-I825 HydrophobicContact CG-CD1 4.47Å; F797-I825 HydrophobicContact CE2-CG2 4.31Å; F797-I825 HydrophobicContact CZ-CG2 4.37Å; A821-I825 WeakPolarHBondContact O-CG1 3.28Å; A821-I825 PolarHBondContact O-N 3.06Å; A821-I825 VanDerWaalsContact O-N 3.1Å; L822-I825 PolarHBondContact O-N 3.5Å; M823-I825 PolarHBondContact O-N 3.31Å; I825-L827 PolarHBondContact O-N 3.32Å; I825-A828 PolarHBondContact O-N 2.93Å; I825-E829 HydrophobicContact CG2-CG 4.15Å; I825-E829 WeakPolarHBondContact O-CB 3.38Å; I825-E829 WeakPolarHBondContact O-CG 3.44Å; I825-E829 PolarHBondContact O-N 2.98Å |
| 826 | A | 90.2 | Very high | 90.9 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -63.7 | -40.3 | -179.7 | 0 | 0 | 0 | 0 | 0 | 112.6 | R657 F797 L822 M823 R824 N830 R831 C833 | R657-A826 PolarHBondContact NH1-O 2.95Å; F797-A826 HydrophobicContact CD2-CB 4.08Å; F797-A826 HydrophobicContact CE2-CB 4.21Å; L822-A826 VanDerWaalsContact O-CB 3.27Å; L822-A826 WeakPolarHBondContact O-CB 3.42Å; L822-A826 PolarHBondContact O-N 2.8Å; M823-A826 WeakPolarHBondContact O-CB 3.15Å; M823-A826 PolarHBondContact O-N 2.85Å; M823-A826 VanDerWaalsContact O-N 3.15Å; R824-A826 VanDerWaalsContact C-N 3.32Å; R824-A826 PolarHBondContact O-N 2.96Å; A826-N830 PolarHBondContact O-N 3.06Å; A826-R831 HydrophobicContact CB-CB 4.12Å; A826-R831 WeakPolarHBondContact CB-O 3.16Å; A826-R831 PolarHBondContact O-N 3.34Å; A826-C833 HydrophobicContact CB-CB 3.74Å |
| 827 | L | 89.1 | Confident | 90.8 | Very high | 0 Ų | 0 | 15.9 Ų | 15.9 | 0% | 0 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.7 | -46.4 | 172.9 | -69.1 | 176.2 | 0 | 0 | 0 | 111.2 | L648 A654 R657 L658 M661 M823 R824 I825 E829 | L648-L827 HydrophobicContact CB-CD1 4.3Å; A654-L827 HydrophobicContact CB-CB 3.98Å; R657-L827 HydrophobicContact CB-CD2 3.88Å; R657-L827 PolarHBondContact NH2-O 3.32Å; L658-L827 HydrophobicContact CD2-CD1 3.8Å; L658-L827 HydrophobicContact CG-CD1 4.31Å; M661-L827 HydrophobicContact SD-CD2 3.74Å; M823-L827 HydrophobicContact CE-CD1 4.05Å; M823-L827 HydrophobicContact CG-CD1 4.23Å; M823-L827 HydrophobicContact CG-CG 4.43Å; M823-L827 WeakPolarHBondContact O-CG 3.49Å; M823-L827 PolarHBondContact O-N 2.97Å; R824-L827 PolarHBondContact O-N 2.87Å; I825-L827 PolarHBondContact O-N 3.32Å; L827-E829 PolarHBondContact O-N 3.36Å |
| 828 | A | 88.3 | Confident | 90.6 | Very high | 16 Ų | 16 | 15.9 Ų | 15.9 | 13% | 0.132 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -66.3 | -34.5 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | N651 A654 R824 I825 | N651-A828 PolarHBondContact ND2-O 3.13Å; A654-A828 HydrophobicContact CB-CB 4.37Å; R824-A828 PolarHBondContact O-N 3.47Å; I825-A828 PolarHBondContact O-N 2.93Å |
| 829 | E | 85.8 | Confident | 90.2 | Very high | 75 Ų | 75 | 16.9 Ų | 16.9 | 35% | 0.35 | 8% | 0.084 | S | C | . | . | H | α-helix | trans | -104.5 | 4.8 | -167.5 | -69.3 | -170.3 | 170.1 | 0 | 0 | 116.4 | R794 I825 L827 R831 | R794-E829 WeakPolarHBondContact CD-OE2 3.32Å; R794-E829 IonicContact CZ-OE1 3.98Å; R794-E829 IonicContact NH1-OE1 3.95Å; R794-E829 PolarHBondContact NH1-OE1 3.34Å; R794-E829 IonicContact NH1-OE2 3.55Å; R794-E829 PolarHBondContact NH1-OE2 3.4Å; I825-E829 HydrophobicContact CG2-CG 4.15Å; I825-E829 WeakPolarHBondContact O-CB 3.38Å; I825-E829 WeakPolarHBondContact O-CG 3.44Å; I825-E829 PolarHBondContact O-N 2.98Å; L827-E829 PolarHBondContact O-N 3.36Å; E829-R831 HydrophobicContact CB-CG 3.87Å; E829-R831 WeakPolarHBondContact OE2-CD 3.06Å; E829-R831 IonicContact OE2-CZ 3.18Å; E829-R831 IonicContact OE2-NE 3.19Å; E829-R831 IonicContact OE2-NH1 3.1Å; E829-R831 PolarHBondContact OE2-NH1 3.02Å |
| 830 | N | 84.3 | Confident | 89.4 | Confident | 120 Ų | 120 | 22.4 Ų | 22.4 | 64% | 0.642 | 12% | 0.118 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 100 | -4.8 | -177.3 | -146.1 | 65.2 | 0 | 0 | 0 | 116.6 | R657 A826 | R657-N830 PolarHBondContact NE-OD1 3.23Å; R657-N830 VanDerWaalsContact NH2-CG 3.34Å; R657-N830 VanDerWaalsContact NH2-N 3.1Å; R657-N830 PolarHBondContact NH2-OD1 3.41Å; A826-N830 PolarHBondContact O-N 3.06Å |
| 831 | R | 86.7 | Confident | 88.9 | Confident | 6 Ų | 6 | 29.1 Ų | 29.1 | 2% | 0.023 | 15% | 0.149 | C | C | . | . | trans | -102.9 | 148.3 | -150 | -50.7 | 171 | 66.5 | 169.8 | -0.2 | 112.1 | R657 G695 R794 G795 F797 A826 E829 D890 | R657-R831 PolarHBondContact NH1-O 3.43Å; G695-R831 PolarHBondContact O-NH1 3.47Å; R794-R831 HydrophobicContact CB-CG 4.49Å; R794-R831 WeakPolarHBondContact O-CG 3.3Å; G795-R831 PolarHBondContact O-NE 3.43Å; G795-R831 PolarHBondContact O-NH2 3.38Å; F797-R831 VanDerWaalsContact CZ-NH1 3.26Å; F797-R831 VanDerWaalsContact CZ-NH2 3.3Å; A826-R831 HydrophobicContact CB-CB 4.12Å; A826-R831 WeakPolarHBondContact CB-O 3.16Å; A826-R831 PolarHBondContact O-N 3.34Å; E829-R831 HydrophobicContact CB-CG 3.87Å; E829-R831 WeakPolarHBondContact OE2-CD 3.06Å; E829-R831 IonicContact OE2-CZ 3.18Å; E829-R831 IonicContact OE2-NE 3.19Å; E829-R831 IonicContact OE2-NH1 3.1Å; E829-R831 PolarHBondContact OE2-NH1 3.02Å; R831-D890 IonicContact NH2-OD2 3Å | ||
| 832 | R | 90 | Very high | 88.6 | Confident | 67 Ų | 67 | 30.8 Ų | 30.8 | 25% | 0.253 | 16% | 0.158 | S | C | . | . | trans | -79.6 | 144.2 | 169.5 | -56.5 | 179 | 70.8 | 178 | 5.1 | 110.9 | P796 F797 E846 S848 E885 W886 | P796-R832 CarbonylContact C-O 3.52Å; P796-R832 WeakPolarHBondContact CA-O 3.4Å; P796-R832 HydrophobicContact CB-CB 3.73Å; P796-R832 WeakPolarHBondContact CB-O 3.36Å; F797-R832 PolarHBondContact N-O 3.16Å; R832-E846 IonicContact CZ-OE1 3.62Å; R832-E846 IonicContact NE-OE1 3.62Å; R832-E846 PolarHBondContact NE-OE1 3.31Å; R832-E846 VanDerWaalsContact NH2-CD 3.28Å; R832-E846 IonicContact NH2-OE1 3.65Å; R832-E846 PolarHBondContact NH2-OE1 2.95Å; R832-E846 IonicContact NH2-OE2 3.25Å; R832-E846 PolarHBondContact NH2-OE2 3.29Å; R832-E846 VanDerWaalsContact NH2-OE2 3.1Å; R832-S848 WeakPolarHBondContact CA-OG 3.13Å; R832-E885 IonicContact CZ-OE2 2.76Å; R832-E885 VanDerWaalsContact NH1-CB 3.31Å; R832-E885 IonicContact NH1-OE1 3.92Å; R832-E885 IonicContact NH1-OE2 2.78Å; R832-E885 PolarHBondContact NH1-OE2 3.19Å; R832-E885 IonicContact NH2-OE2 2.89Å; R832-W886 HydrophobicContact CB-CH2 3.53Å; R832-W886 HydrophobicContact CB-CZ2 4.23Å; R832-W886 HydrophobicContact CB-CZ3 3.98Å; R832-W886 VanDerWaalsContact CZ-CZ2 3.41Å | ||
| 833 | C | 92.6 | Very high | 88.5 | Confident | 0 Ų | 0 | 33.2 Ų | 33.2 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -130.6 | 113.6 | 178 | -175.9 | 0 | 0 | 0 | 0 | 109.6 | A826 L847 S848 | A826-C833 HydrophobicContact CB-CB 3.74Å; C833-L847 HydrophobicContact CB-CB 4.4Å; C833-L847 PolarHBondContact O-N 2.63Å; C833-S848 PolarHBondContact N-OG 3.46Å |
| 834 | Y | 93.7 | Very high | 88.6 | Confident | 15 Ų | 15 | 38.9 Ų | 38.9 | 6% | 0.059 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 131.6 | -179.4 | -172.4 | -107.6 | 0 | 0 | 0 | 110 | F797 I798 V799 M836 R844 Y845 E846 R880 W886 | F797-Y834 PolarHBondContact O-N 3.4Å; I798-Y834 HydrophobicContact CG2-CD1 4.34Å; V799-Y834 PolarHBondContact N-O 3.18Å; Y834-M836 HydrophobicContact CD1-CG 3.86Å; Y834-M836 HydrophobicContact CD1-SD 4.14Å; Y834-M836 HydrophobicContact CE1-CG 3.39Å; Y834-M836 HydrophobicContact CE1-SD 3.67Å; Y834-R844 HydrophobicContact CE2-CB 4.26Å; Y834-R844 VanDerWaalsContact OH-CB 3.27Å; Y834-R844 WeakPolarHBondContact OH-CB 3.41Å; Y834-R844 WeakPolarHBondContact OH-CD 3.27Å; Y834-R844 WeakPolarHBondContact OH-CG 3.25Å; Y834-Y845 CarbonylContact C-O 3.58Å; Y834-Y845 WeakPolarHBondContact CA-O 3.43Å; Y834-Y845 VanDerWaalsContact CD2-O 3.28Å; Y834-Y845 WeakPolarHBondContact CD2-O 3.42Å; Y834-E846 HydrophobicContact CD2-CB 4.18Å; Y834-R880 HydrophobicContact CE1-CG 4.47Å; Y834-W886 VanDerWaalsContact CB-CH2 3.43Å; Y834-W886 HydrophobicContact CG-CH2 4.25Å |
| 835 | I | 93.9 | Very high | 88.7 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.1 | 134.1 | 179.3 | -60.3 | -176.7 | 0 | 0 | 0 | 109.5 | V799 V801 C819 R844 Y845 L847 F859 | V799-I835 HydrophobicContact CB-CG1 4.29Å; V799-I835 CarbonylContact O-C 3.57Å; V799-I835 VanDerWaalsContact O-CA 3.24Å; V799-I835 WeakPolarHBondContact O-CA 3.46Å; V801-I835 HydrophobicContact CG2-CG2 4.14Å; C819-I835 HydrophobicContact CB-CD1 3.57Å; I835-R844 CarbonylContact O-C 3.58Å; I835-R844 WeakPolarHBondContact O-CA 3.21Å; I835-Y845 PolarHBondContact N-O 3.47Å; I835-Y845 PolarHBondContact O-N 2.91Å; I835-L847 HydrophobicContact CD1-CD1 3.24Å; I835-L847 HydrophobicContact CD1-CD2 4.37Å; I835-L847 HydrophobicContact CD1-CG 3.71Å; I835-L847 HydrophobicContact CG1-CD1 4.1Å; I835-L847 HydrophobicContact CG1-CG 4.08Å; I835-F859 HydrophobicContact CD1-CD1 4.18Å; I835-F859 HydrophobicContact CD1-CE1 4.05Å; I835-F859 HydrophobicContact CD1-CE2 4.38Å; I835-F859 HydrophobicContact CD1-CG 4.42Å; I835-F859 HydrophobicContact CD1-CZ 4.16Å; I835-F859 HydrophobicContact CG2-CD2 3.87Å; I835-F859 HydrophobicContact CG2-CE2 3.75Å; I835-F859 HydrophobicContact CG2-CZ 4.41Å |
| 836 | M | 92.9 | Very high | 88.7 | Confident | 1 Ų | 1 | 40.9 Ų | 40.9 | 1% | 0.005 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.2 | 117.4 | 171.6 | -66.5 | 165.3 | 50.9 | 0 | 0 | 109 | I798 V799 C800 V801 Y834 I842 V843 R844 A876 I877 | I798-M836 HydrophobicContact CG2-SD 4.09Å; V799-M836 PolarHBondContact O-N 3.45Å; C800-M836 CarbonylContact C-O 3.59Å; C800-M836 VanDerWaalsContact CA-O 3.27Å; C800-M836 WeakPolarHBondContact CA-O 3.21Å; V801-M836 PolarHBondContact N-O 3.08Å; Y834-M836 HydrophobicContact CD1-CG 3.86Å; Y834-M836 HydrophobicContact CD1-SD 4.14Å; Y834-M836 HydrophobicContact CE1-CG 3.39Å; Y834-M836 HydrophobicContact CE1-SD 3.67Å; M836-I842 HydrophobicContact CB-CG2 4.21Å; M836-I842 HydrophobicContact CE-CD1 4.42Å; M836-I842 HydrophobicContact CE-CG2 3.78Å; M836-I842 HydrophobicContact CG-CG2 4.39Å; M836-V843 CarbonylContact C-O 3.57Å; M836-V843 VanDerWaalsContact CA-O 3.29Å; M836-V843 WeakPolarHBondContact CA-O 3.45Å; M836-R844 HydrophobicContact CG-CG 4.33Å; M836-A876 HydrophobicContact CE-CB 3.34Å; M836-I877 HydrophobicContact CE-CG1 4.42Å |
| 837 | L | 90.6 | Very high | 88.6 | Confident | 4 Ų | 4 | 41 Ų | 41 | 2% | 0.021 | 20% | 0.203 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.8 | 125.1 | 165.2 | -63.4 | -179 | 0 | 0 | 0 | 107.7 | V801 T803 I842 V843 Y845 F859 Q862 F864 | V801-L837 HydrophobicContact CB-CD2 3.73Å; V801-L837 HydrophobicContact CG1-CD2 4.23Å; V801-L837 HydrophobicContact CG2-CD2 4.28Å; T803-L837 HydrophobicContact CG2-CB 3.82Å; T803-L837 HydrophobicContact CG2-CD1 4.46Å; T803-L837 HydrophobicContact CG2-CD2 3.8Å; T803-L837 HydrophobicContact CG2-CG 4.23Å; L837-I842 CarbonylContact O-C 3.6Å; L837-I842 WeakPolarHBondContact O-CA 3.23Å; L837-V843 HydrophobicContact CB-CB 4.28Å; L837-V843 PolarHBondContact N-O 3.31Å; L837-V843 PolarHBondContact O-N 2.85Å; L837-Y845 HydrophobicContact CD1-CE2 3.83Å; L837-Y845 HydrophobicContact CG-CE2 4.17Å; L837-F859 HydrophobicContact CD1-CD2 4.05Å; L837-F859 HydrophobicContact CD2-CD2 3.75Å; L837-F859 HydrophobicContact CD2-CE2 3.49Å; L837-F859 VanDerWaalsContact CD2-CE2 3.49Å; L837-F859 HydrophobicContact CG-CD2 4.06Å; L837-F859 HydrophobicContact CG-CE2 4.3Å; L837-Q862 HydrophobicContact CD1-CB 4.13Å; L837-Q862 HydrophobicContact CD1-CG 4.29Å; L837-F864 HydrophobicContact CD2-CE1 4.17Å; L837-F864 HydrophobicContact CD2-CZ 4.37Å |
| 838 | F | 89.1 | Confident | 88.4 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.8 | 136.9 | 178.1 | 68.1 | -87.8 | 0 | 0 | 0 | 111.6 | C800 V801 D802 T803 I842 T868 L870 C873 V893 | C800-F838 HydrophobicContact CB-CD1 3.91Å; C800-F838 HydrophobicContact CB-CE1 3.91Å; V801-F838 WeakPolarHBondContact O-CD1 3.37Å; V801-F838 PolarHBondContact O-N 3.36Å; D802-F838 HydrophobicContact CB-CE1 3.96Å; D802-F838 HydrophobicContact CB-CE2 3.89Å; D802-F838 HydrophobicContact CB-CZ 3.45Å; D802-F838 VanDerWaalsContact CB-CZ 3.45Å; T803-F838 PolarHBondContact N-O 2.99Å; T803-F838 VanDerWaalsContact N-O 3.17Å; T803-F838 PolarHBondContact OG1-O 3.26Å; F838-I842 HydrophobicContact CB-CG1 4.27Å; F838-T868 HydrophobicContact CE2-CG2 4.08Å; F838-L870 HydrophobicContact CE2-CD2 3.83Å; F838-L870 HydrophobicContact CE2-CG 4.3Å; F838-L870 HydrophobicContact CZ-CD2 3.83Å; F838-C873 HydrophobicContact CB-CB 4.02Å; F838-C873 HydrophobicContact CD1-CB 4.15Å; F838-C873 HydrophobicContact CD2-CB 3.93Å; F838-C873 HydrophobicContact CE2-CB 4.4Å; F838-C873 HydrophobicContact CG-CB 3.79Å; F838-V893 HydrophobicContact CE1-CG1 4.27Å; F838-V893 HydrophobicContact CZ-CG1 4.23Å |
| 839 | S | 85.3 | Confident | 88.1 | Confident | 21 Ų | 21 | 41.6 Ų | 41.6 | 15% | 0.147 | 21% | 0.209 | C | C | . | . | S | Bend | trans | -144.9 | -119.5 | 169.1 | 57.2 | 0 | 0 | 0 | 0 | 109.8 | T803 E841 G867 D869 | T803-S839 WeakPolarHBondContact OG1-CB 3.37Å; S839-E841 VanDerWaalsContact C-N 3.34Å; S839-E841 PolarHBondContact N-O 3.35Å; S839-E841 PolarHBondContact OG-N 2.98Å; S839-E841 PolarHBondContact OG-O 3.36Å; S839-G867 WeakPolarHBondContact CA-O 3.43Å; S839-G867 VanDerWaalsContact CB-O 3.32Å; S839-G867 WeakPolarHBondContact CB-O 3.42Å; S839-D869 WeakPolarHBondContact O-CB 3.35Å; S839-D869 PolarHBondContact O-N 3.16Å |
| 840 | T | 76.2 | Confident | 87.9 | Confident | 117 Ų | 117 | 43.4 Ų | 43.4 | 72% | 0.718 | 23% | 0.227 | S | C | * | . | S | Bend | trans | -76 | -27.8 | 160.3 | 48.2 | 0 | 0 | 0 | 0 | 111.5 | ||
| 841 | E | 82.5 | Confident | 87.8 | Confident | 144 Ų | 144 | 42.8 Ų | 42.8 | 67% | 0.673 | 22% | 0.221 | S | C | * | . | S | Bend | trans | -118.7 | 157.9 | 175.1 | -64.1 | -176.5 | 175.6 | 0 | 0 | 110.2 | S839 | S839-E841 VanDerWaalsContact C-N 3.34Å; S839-E841 PolarHBondContact N-O 3.35Å; S839-E841 PolarHBondContact OG-N 2.98Å; S839-E841 PolarHBondContact OG-O 3.36Å |
| 842 | I | 86.4 | Confident | 87.9 | Confident | 35 Ų | 35 | 42.5 Ų | 42.5 | 18% | 0.179 | 22% | 0.219 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.6 | 112.7 | 178.6 | -61.7 | 177.6 | 0 | 0 | 0 | 109 | M836 L837 F838 R844 S872 A876 | M836-I842 HydrophobicContact CB-CG2 4.21Å; M836-I842 HydrophobicContact CE-CD1 4.42Å; M836-I842 HydrophobicContact CE-CG2 3.78Å; M836-I842 HydrophobicContact CG-CG2 4.39Å; L837-I842 CarbonylContact O-C 3.6Å; L837-I842 WeakPolarHBondContact O-CA 3.23Å; F838-I842 HydrophobicContact CB-CG1 4.27Å; I842-R844 HydrophobicContact CG2-CG 4.17Å; I842-S872 WeakPolarHBondContact CD1-O 3.46Å; I842-A876 HydrophobicContact CD1-CB 3.57Å |
| 843 | V | 89.8 | Confident | 87.8 | Confident | 51 Ų | 51 | 39.4 Ų | 39.4 | 31% | 0.309 | 21% | 0.208 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.4 | 136.7 | 174.1 | -169.7 | 0 | 0 | 0 | 0 | 109 | M836 L837 Y845 | M836-V843 CarbonylContact C-O 3.57Å; M836-V843 VanDerWaalsContact CA-O 3.29Å; M836-V843 WeakPolarHBondContact CA-O 3.45Å; L837-V843 HydrophobicContact CB-CB 4.28Å; L837-V843 PolarHBondContact N-O 3.31Å; L837-V843 PolarHBondContact O-N 2.85Å; V843-Y845 HydrophobicContact CB-CE2 4.21Å; V843-Y845 HydrophobicContact CG1-CD2 4.47Å; V843-Y845 HydrophobicContact CG1-CE2 3.54Å; V843-Y845 WeakPolarHBondContact CG1-OH 3.32Å |
| 844 | R | 92.4 | Very high | 87.6 | Confident | 121 Ų | 121 | 41.3 Ų | 41.3 | 46% | 0.457 | 22% | 0.217 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -121.6 | 138.2 | -167.6 | -65.4 | 164.6 | 174.1 | 114.3 | -12.5 | 110.9 | Y834 I835 M836 I842 E879 | Y834-R844 HydrophobicContact CE2-CB 4.26Å; Y834-R844 VanDerWaalsContact OH-CB 3.27Å; Y834-R844 WeakPolarHBondContact OH-CB 3.41Å; Y834-R844 WeakPolarHBondContact OH-CD 3.27Å; Y834-R844 WeakPolarHBondContact OH-CG 3.25Å; I835-R844 CarbonylContact O-C 3.58Å; I835-R844 WeakPolarHBondContact O-CA 3.21Å; M836-R844 HydrophobicContact CG-CG 4.33Å; I842-R844 HydrophobicContact CG2-CG 4.17Å; R844-E879 IonicContact NH2-OE2 3.71Å |
| 845 | Y | 92.4 | Very high | 87.4 | Confident | 14 Ų | 14 | 42.2 Ų | 42.2 | 6% | 0.055 | 22% | 0.221 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -139.1 | 136 | -179.3 | -62.1 | -80.9 | 0 | 0 | 0 | 110.4 | Y834 I835 L837 V843 Q855 R858 F859 Q862 | Y834-Y845 CarbonylContact C-O 3.58Å; Y834-Y845 WeakPolarHBondContact CA-O 3.43Å; Y834-Y845 VanDerWaalsContact CD2-O 3.28Å; Y834-Y845 WeakPolarHBondContact CD2-O 3.42Å; I835-Y845 PolarHBondContact N-O 3.47Å; I835-Y845 PolarHBondContact O-N 2.91Å; L837-Y845 HydrophobicContact CD1-CE2 3.83Å; L837-Y845 HydrophobicContact CG-CE2 4.17Å; V843-Y845 HydrophobicContact CB-CE2 4.21Å; V843-Y845 HydrophobicContact CG1-CD2 4.47Å; V843-Y845 HydrophobicContact CG1-CE2 3.54Å; V843-Y845 WeakPolarHBondContact CG1-OH 3.32Å; Y845-Q855 HydrophobicContact CD1-CB 4.13Å; Y845-Q855 WeakPolarHBondContact CD1-O 3.49Å; Y845-R858 HydrophobicContact CD1-CB 4.46Å; Y845-R858 HydrophobicContact CE1-CB 3.68Å; Y845-F859 HydrophobicContact CD1-CB 4.27Å; Y845-F859 HydrophobicContact CD2-CB 4.05Å; Y845-F859 HydrophobicContact CD2-CD2 4.46Å; Y845-F859 HydrophobicContact CE1-CB 4.44Å; Y845-F859 HydrophobicContact CE2-CB 4.18Å; Y845-F859 HydrophobicContact CG-CB 4.1Å; Y845-Q862 PolarHBondContact OH-NE2 2.93Å |
| 846 | E | 90.8 | Very high | 87.3 | Confident | 52 Ų | 52 | 42.2 Ų | 42.2 | 24% | 0.243 | 22% | 0.222 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 111.8 | 168.8 | -174.8 | 169.2 | -179 | 0 | 0 | 109.3 | R832 Y834 | R832-E846 IonicContact CZ-OE1 3.62Å; R832-E846 IonicContact NE-OE1 3.62Å; R832-E846 PolarHBondContact NE-OE1 3.31Å; R832-E846 VanDerWaalsContact NH2-CD 3.28Å; R832-E846 IonicContact NH2-OE1 3.65Å; R832-E846 PolarHBondContact NH2-OE1 2.95Å; R832-E846 IonicContact NH2-OE2 3.25Å; R832-E846 PolarHBondContact NH2-OE2 3.29Å; R832-E846 VanDerWaalsContact NH2-OE2 3.1Å; Y834-E846 HydrophobicContact CD2-CB 4.18Å |
| 847 | L | 88 | Confident | 87.1 | Confident | 1 Ų | 1 | 42.8 Ų | 42.8 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -89.4 | -19.6 | -171.7 | -63.1 | -155.9 | 0 | 0 | 0 | 113.9 | M661 M823 C833 I835 G852 Q855 A856 | M661-L847 WeakPolarHBondContact CE-O 3.47Å; M823-L847 HydrophobicContact CB-CD1 4.05Å; M823-L847 HydrophobicContact CG-CB 4.07Å; M823-L847 HydrophobicContact CG-CD1 4.22Å; M823-L847 HydrophobicContact SD-CB 4.04Å; M823-L847 HydrophobicContact SD-CD1 3.79Å; C833-L847 HydrophobicContact CB-CB 4.4Å; C833-L847 PolarHBondContact O-N 2.63Å; I835-L847 HydrophobicContact CD1-CD1 3.24Å; I835-L847 HydrophobicContact CD1-CD2 4.37Å; I835-L847 HydrophobicContact CD1-CG 3.71Å; I835-L847 HydrophobicContact CG1-CD1 4.1Å; I835-L847 HydrophobicContact CG1-CG 4.08Å; L847-G852 VanDerWaalsContact O-CA 3.27Å; L847-G852 WeakPolarHBondContact O-CA 3.37Å; L847-Q855 HydrophobicContact CD2-CB 4.08Å; L847-A856 HydrophobicContact CD1-CB 4.35Å; L847-A856 HydrophobicContact CD2-CB 3.95Å |
| 848 | S | 84.1 | Confident | 87 | Confident | 17 Ų | 17 | 48.6 Ų | 48.6 | 12% | 0.119 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -95.6 | -0.6 | 179.5 | 56.6 | 0 | 0 | 0 | 0 | 113.6 | R832 C833 | R832-S848 WeakPolarHBondContact CA-OG 3.13Å; C833-S848 PolarHBondContact N-OG 3.46Å |
| 849 | G | 82.9 | Confident | 87.1 | Confident | 13 Ų | 13 | 48.8 Ų | 48.8 | 13% | 0.134 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -83.5 | 179.2 | -180 | 0 | 0 | 0 | 0 | 0 | 112.7 | M661 Q851 G852 | M661-G849 WeakPolarHBondContact CG-O 3.32Å; G849-Q851 VanDerWaalsContact C-N 3.25Å; G849-Q851 PolarHBondContact O-N 3.45Å; G849-G852 WeakPolarHBondContact O-CA 3.43Å; G849-G852 PolarHBondContact O-N 3.46Å |
| 850 | P | 80.7 | Confident | 87.4 | Confident | 112 Ų | 112 | 47.9 Ų | 47.9 | 73% | 0.727 | 24% | 0.241 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.8 | -34.8 | -178.5 | -23.7 | 32.7 | 0 | 0 | 0 | 113.8 | G852 | P850-G852 VanDerWaalsContact C-N 3.3Š|
| 851 | Q | 83.7 | Confident | 88 | Confident | 108 Ų | 108 | 45.7 Ų | 45.7 | 51% | 0.505 | 23% | 0.23 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | 15.1 | 175.7 | -64.7 | 177.2 | 2 | 0 | 0 | 112.9 | G849 I853 E854 Q855 | G849-Q851 VanDerWaalsContact C-N 3.25Å; G849-Q851 PolarHBondContact O-N 3.45Å; Q851-I853 VanDerWaalsContact C-N 3.28Å; Q851-I853 PolarHBondContact O-N 3.43Å; Q851-I853 VanDerWaalsContact O-N 3.17Å; Q851-E854 WeakPolarHBondContact O-CB 3.42Å; Q851-E854 PolarHBondContact O-N 3.4Å; Q851-Q855 HydrophobicContact CB-CG 4.18Å; Q851-Q855 WeakPolarHBondContact O-CG 3.5Å; Q851-Q855 PolarHBondContact O-N 3.08Å |
| 852 | G | 87.9 | Confident | 88.2 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -60.8 | -32.3 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | M661 L847 G849 P850 A856 | M661-G852 VanDerWaalsContact CE-C 3.43Å; M661-G852 VanDerWaalsContact CE-CA 3.43Å; L847-G852 VanDerWaalsContact O-CA 3.27Å; L847-G852 WeakPolarHBondContact O-CA 3.37Å; G849-G852 WeakPolarHBondContact O-CA 3.43Å; G849-G852 PolarHBondContact O-N 3.46Å; P850-G852 VanDerWaalsContact C-N 3.3Å; G852-A856 WeakPolarHBondContact O-CB 3.49Å; G852-A856 PolarHBondContact O-N 3.43Å |
| 853 | I | 88.8 | Confident | 88.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.005 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -66.4 | -47.4 | 174.7 | -62.1 | 175.9 | 0 | 0 | 0 | 110.1 | L640 L644 M661 L666 I674 Q851 A856 I857 | L640-I853 HydrophobicContact CD2-CD1 3.85Å; L644-I853 HydrophobicContact CD1-CD1 3.98Å; L644-I853 HydrophobicContact CD1-CG1 4.48Å; L644-I853 HydrophobicContact CD1-CG2 4.22Å; M661-I853 HydrophobicContact CB-CD1 3.83Å; M661-I853 HydrophobicContact CB-CG1 3.88Å; M661-I853 HydrophobicContact CE-CG1 3.67Å; M661-I853 VanDerWaalsContact CE-N 3.3Å; L666-I853 HydrophobicContact CD1-CB 4.34Å; L666-I853 HydrophobicContact CD1-CG2 3.82Å; L666-I853 HydrophobicContact CD2-CG2 4.02Å; I674-I853 HydrophobicContact CD1-CG2 3.93Å; Q851-I853 VanDerWaalsContact C-N 3.28Å; Q851-I853 PolarHBondContact O-N 3.43Å; Q851-I853 VanDerWaalsContact O-N 3.17Å; I853-A856 WeakPolarHBondContact O-CB 3.49Å; I853-A856 PolarHBondContact O-N 2.72Å; I853-I857 HydrophobicContact CG2-CD1 3.8Å; I853-I857 WeakPolarHBondContact O-CD1 3.12Å; I853-I857 VanDerWaalsContact O-CG1 3.28Å; I853-I857 WeakPolarHBondContact O-CG1 3.42Å; I853-I857 PolarHBondContact O-N 3.31Å |
| 854 | E | 88 | Confident | 87.6 | Confident | 40 Ų | 40 | 44.4 Ų | 44.4 | 19% | 0.187 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -61.6 | -45.9 | 178 | -170.5 | -167.8 | 165.1 | 0 | 0 | 111.2 | L666 Q851 A856 I857 R858 | L666-E854 HydrophobicContact CD2-CB 4.02Å; L666-E854 HydrophobicContact CD2-CG 4.45Å; Q851-E854 WeakPolarHBondContact O-CB 3.42Å; Q851-E854 PolarHBondContact O-N 3.4Å; E854-A856 VanDerWaalsContact C-N 3.33Å; E854-A856 PolarHBondContact O-N 3.01Å; E854-I857 PolarHBondContact O-N 3.36Å; E854-R858 WeakPolarHBondContact O-CG 3.26Å; E854-R858 PolarHBondContact O-N 3.29Å; E854-R858 IonicContact OE1-CZ 3.44Å; E854-R858 IonicContact OE1-NE 3.55Å; E854-R858 PolarHBondContact OE1-NE 3.39Å; E854-R858 IonicContact OE1-NH2 2.71Å; E854-R858 PolarHBondContact OE1-NH2 2.94Å |
| 855 | Q | 89.6 | Confident | 86.7 | Confident | 34 Ų | 34 | 48.4 Ų | 48.4 | 16% | 0.159 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -63.9 | -38.8 | 177.1 | -63.5 | -69.1 | -11.8 | 0 | 0 | 111.3 | Y845 L847 Q851 R858 F859 | Y845-Q855 HydrophobicContact CD1-CB 4.13Å; Y845-Q855 WeakPolarHBondContact CD1-O 3.49Å; L847-Q855 HydrophobicContact CD2-CB 4.08Å; Q851-Q855 HydrophobicContact CB-CG 4.18Å; Q851-Q855 WeakPolarHBondContact O-CG 3.5Å; Q851-Q855 PolarHBondContact O-N 3.08Å; Q855-R858 PolarHBondContact O-N 3.36Å; Q855-F859 WeakPolarHBondContact O-CB 3.32Å; Q855-F859 PolarHBondContact O-N 3.04Å |
| 856 | A | 90.6 | Very high | 85.7 | Confident | 1 Ų | 1 | 49 Ų | 49 | 1% | 0.008 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -62.8 | -44.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.3 | I674 M823 L847 G852 I853 E854 F859 L860 | I674-A856 HydrophobicContact CD1-CB 4.27Å; M823-A856 HydrophobicContact CE-CB 4.46Å; M823-A856 HydrophobicContact SD-CB 4.16Å; L847-A856 HydrophobicContact CD1-CB 4.35Å; L847-A856 HydrophobicContact CD2-CB 3.95Å; G852-A856 WeakPolarHBondContact O-CB 3.49Å; G852-A856 PolarHBondContact O-N 3.43Å; I853-A856 WeakPolarHBondContact O-CB 3.49Å; I853-A856 PolarHBondContact O-N 2.72Å; E854-A856 VanDerWaalsContact C-N 3.33Å; E854-A856 PolarHBondContact O-N 3.01Å; A856-F859 PolarHBondContact O-N 3.11Å; A856-L860 WeakPolarHBondContact O-CB 3.35Å; A856-L860 WeakPolarHBondContact O-CG 3.28Å; A856-L860 PolarHBondContact O-N 3.18Å |
| 857 | I | 89.4 | Confident | 84.8 | Confident | 12 Ų | 12 | 48.3 Ų | 48.3 | 6% | 0.062 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -61.3 | -46.3 | 176.1 | -71 | 159.4 | 0 | 0 | 0 | 110.9 | L666 D670 I674 I853 E854 F859 L860 S861 | L666-I857 HydrophobicContact CD2-CD1 3.59Å; D670-I857 HydrophobicContact CB-CD1 3.82Å; D670-I857 HydrophobicContact CB-CG1 4.5Å; D670-I857 HydrophobicContact CB-CG2 3.9Å; I674-I857 HydrophobicContact CD1-CD1 4.45Å; I674-I857 HydrophobicContact CD1-CG1 3.98Å; I674-I857 HydrophobicContact CG1-CG1 4.26Å; I853-I857 HydrophobicContact CG2-CD1 3.8Å; I853-I857 WeakPolarHBondContact O-CD1 3.12Å; I853-I857 VanDerWaalsContact O-CG1 3.28Å; I853-I857 WeakPolarHBondContact O-CG1 3.42Å; I853-I857 PolarHBondContact O-N 3.31Å; E854-I857 PolarHBondContact O-N 3.36Å; I857-F859 VanDerWaalsContact C-N 3.35Å; I857-F859 PolarHBondContact O-N 3.5Å; I857-L860 PolarHBondContact O-N 3.37Å; I857-S861 WeakPolarHBondContact O-CB 3.34Å; I857-S861 PolarHBondContact O-N 3.28Å; I857-S861 PolarHBondContact O-OG 3.3Å |
| 858 | R | 89.1 | Confident | 84.5 | Confident | 127 Ų | 127 | 51 Ų | 51 | 48% | 0.479 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -59.1 | -46.4 | 176.4 | -71.8 | 177.1 | -178.5 | -154.3 | 2 | 110.9 | Y845 E854 Q855 S861 Q862 | Y845-R858 HydrophobicContact CD1-CB 4.46Å; Y845-R858 HydrophobicContact CE1-CB 3.68Å; E854-R858 WeakPolarHBondContact O-CG 3.26Å; E854-R858 PolarHBondContact O-N 3.29Å; E854-R858 IonicContact OE1-CZ 3.44Å; E854-R858 IonicContact OE1-NE 3.55Å; E854-R858 PolarHBondContact OE1-NE 3.39Å; E854-R858 IonicContact OE1-NH2 2.71Å; E854-R858 PolarHBondContact OE1-NH2 2.94Å; Q855-R858 PolarHBondContact O-N 3.36Å; R858-S861 PolarHBondContact O-N 3.43Å; R858-S861 PolarHBondContact O-OG 3.33Å; R858-Q862 VanDerWaalsContact O-CG 3.32Å; R858-Q862 WeakPolarHBondContact O-CG 3.44Å; R858-Q862 PolarHBondContact O-N 3.31Å |
| 859 | F | 91.3 | Very high | 84.6 | Confident | 3 Ų | 3 | 53 Ų | 53 | 1% | 0.013 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -59.5 | -49.3 | 174.5 | 160 | -106.6 | 0 | 0 | 0 | 112.5 | V801 K816 C819 I835 L837 Y845 Q855 A856 I857 S861 Q862 | V801-F859 HydrophobicContact CG2-CE2 4.42Å; K816-F859 HydrophobicContact CB-CE1 4.33Å; K816-F859 HydrophobicContact CB-CZ 4.34Å; K816-F859 HydrophobicContact CG-CE1 4.09Å; K816-F859 HydrophobicContact CG-CZ 3.85Å; C819-F859 HydrophobicContact CB-CE1 3.69Å; C819-F859 HydrophobicContact CB-CZ 3.66Å; I835-F859 HydrophobicContact CD1-CD1 4.18Å; I835-F859 HydrophobicContact CD1-CE1 4.05Å; I835-F859 HydrophobicContact CD1-CE2 4.38Å; I835-F859 HydrophobicContact CD1-CG 4.42Å; I835-F859 HydrophobicContact CD1-CZ 4.16Å; I835-F859 HydrophobicContact CG2-CD2 3.87Å; I835-F859 HydrophobicContact CG2-CE2 3.75Å; I835-F859 HydrophobicContact CG2-CZ 4.41Å; L837-F859 HydrophobicContact CD1-CD2 4.05Å; L837-F859 HydrophobicContact CD2-CD2 3.75Å; L837-F859 HydrophobicContact CD2-CE2 3.49Å; L837-F859 VanDerWaalsContact CD2-CE2 3.49Å; L837-F859 HydrophobicContact CG-CD2 4.06Å; L837-F859 HydrophobicContact CG-CE2 4.3Å; Y845-F859 HydrophobicContact CD1-CB 4.27Å; Y845-F859 HydrophobicContact CD2-CB 4.05Å; Y845-F859 HydrophobicContact CD2-CD2 4.46Å; Y845-F859 HydrophobicContact CE1-CB 4.44Å; Y845-F859 HydrophobicContact CE2-CB 4.18Å; Y845-F859 HydrophobicContact CG-CB 4.1Å; Q855-F859 WeakPolarHBondContact O-CB 3.32Å; Q855-F859 PolarHBondContact O-N 3.04Å; A856-F859 PolarHBondContact O-N 3.11Å; I857-F859 VanDerWaalsContact C-N 3.35Å; I857-F859 PolarHBondContact O-N 3.5Å; F859-S861 VanDerWaalsContact C-N 3.26Å; F859-S861 PolarHBondContact O-N 2.85Å; F859-Q862 PolarHBondContact O-N 3.28Å |
| 860 | L | 90.8 | Very high | 84.8 | Confident | 3 Ų | 3 | 52.8 Ų | 52.8 | 2% | 0.016 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -66.6 | -27.5 | -177.3 | -68.8 | 175.1 | 0 | 0 | 0 | 112.7 | L673 I674 Y677 K816 A856 I857 | L673-L860 HydrophobicContact CB-CB 4.44Å; I674-L860 HydrophobicContact CB-CD1 4.41Å; I674-L860 HydrophobicContact CG1-CD1 3.71Å; Y677-L860 HydrophobicContact CD2-CB 4.18Å; Y677-L860 HydrophobicContact CD2-CD1 4.08Å; Y677-L860 HydrophobicContact CD2-CD2 3.66Å; Y677-L860 HydrophobicContact CD2-CG 4.18Å; Y677-L860 HydrophobicContact CE2-CB 4.15Å; Y677-L860 HydrophobicContact CE2-CD2 4.04Å; Y677-L860 HydrophobicContact CG-CD2 4.02Å; K816-L860 HydrophobicContact CB-CD2 3.74Å; K816-L860 HydrophobicContact CD-CD2 4.24Å; K816-L860 WeakPolarHBondContact CE-O 3.14Å; K816-L860 HydrophobicContact CG-CD2 4.1Å; K816-L860 PolarHBondContact NZ-O 2.86Å; A856-L860 WeakPolarHBondContact O-CB 3.35Å; A856-L860 WeakPolarHBondContact O-CG 3.28Å; A856-L860 PolarHBondContact O-N 3.18Å; I857-L860 PolarHBondContact O-N 3.37Å |
| 861 | S | 88.8 | Confident | 85.1 | Confident | 70 Ų | 70 | 48 Ų | 48 | 49% | 0.49 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -81.7 | -17.2 | 178.4 | 62.7 | 0 | 0 | 0 | 0 | 114.4 | I857 R858 F859 | I857-S861 WeakPolarHBondContact O-CB 3.34Å; I857-S861 PolarHBondContact O-N 3.28Å; I857-S861 PolarHBondContact O-OG 3.3Å; R858-S861 PolarHBondContact O-N 3.43Å; R858-S861 PolarHBondContact O-OG 3.33Å; F859-S861 VanDerWaalsContact C-N 3.26Å; F859-S861 PolarHBondContact O-N 2.85Å |
| 862 | Q | 87.3 | Confident | 85.4 | Confident | 68 Ų | 68 | 44 Ų | 44 | 32% | 0.318 | 23% | 0.228 | S | C | . | . | trans | -70.9 | 136.4 | 177.8 | -67.3 | -148.1 | -16.3 | 0 | 0 | 112.9 | K816 L837 Y845 R858 F859 | K816-Q862 WeakPolarHBondContact CE-O 3.32Å; K816-Q862 PolarHBondContact NZ-O 2.98Å; L837-Q862 HydrophobicContact CD1-CB 4.13Å; L837-Q862 HydrophobicContact CD1-CG 4.29Å; Y845-Q862 PolarHBondContact OH-NE2 2.93Å; R858-Q862 VanDerWaalsContact O-CG 3.32Å; R858-Q862 WeakPolarHBondContact O-CG 3.44Å; R858-Q862 PolarHBondContact O-N 3.31Å; F859-Q862 PolarHBondContact O-N 3.28Å | ||
| 863 | Q | 82.8 | Confident | 85.5 | Confident | 124 Ų | 124 | 44 Ų | 44 | 58% | 0.579 | 23% | 0.228 | S | C | * | . | trans | -92.4 | 145.8 | 175.3 | -64.8 | -169.7 | -1.9 | 0 | 0 | 112 | R865 | Q863-R865 HydrophobicContact CB-CG 4.37Å; Q863-R865 PolarHBondContact O-N 3.07Å; Q863-R865 VanDerWaalsContact OE1-CZ 3.26Å | ||
| 864 | F | 80.6 | Confident | 85.6 | Confident | 11 Ų | 11 | 44 Ų | 44 | 5% | 0.048 | 23% | 0.227 | C | C | . | . | trans | -87.7 | 102 | 179.2 | -67.6 | 8.4 | 0 | 0 | 0 | 109.7 | V801 T803 M807 E812 A815 K816 L837 | V801-F864 HydrophobicContact CG1-CE2 3.82Å; V801-F864 HydrophobicContact CG1-CZ 3.65Å; T803-F864 HydrophobicContact CG2-CD1 3.67Å; T803-F864 HydrophobicContact CG2-CD2 4.5Å; T803-F864 HydrophobicContact CG2-CE1 3.8Å; T803-F864 HydrophobicContact CG2-CG 4.08Å; T803-F864 HydrophobicContact CG2-CZ 4.27Å; T803-F864 CarbonylContact O-C 3.59Å; M807-F864 HydrophobicContact CB-CD2 4.06Å; E812-F864 HydrophobicContact CB-CD2 3.64Å; E812-F864 HydrophobicContact CB-CE2 3.92Å; E812-F864 HydrophobicContact CB-CG 4.14Å; E812-F864 HydrophobicContact CG-CB 4.43Å; E812-F864 HydrophobicContact CG-CD1 4Å; E812-F864 HydrophobicContact CG-CD2 3.66Å; E812-F864 HydrophobicContact CG-CE1 4.11Å; E812-F864 HydrophobicContact CG-CE2 3.8Å; E812-F864 HydrophobicContact CG-CG 3.76Å; E812-F864 HydrophobicContact CG-CZ 4.01Å; A815-F864 HydrophobicContact CB-CE2 4.22Å; K816-F864 HydrophobicContact CG-CZ 4.38Å; L837-F864 HydrophobicContact CD2-CE1 4.17Å; L837-F864 HydrophobicContact CD2-CZ 4.37Å | ||
| 865 | R | 73.2 | Confident | 85.8 | Confident | 205 Ų | 205 | 47.6 Ų | 47.6 | 77% | 0.774 | 24% | 0.239 | S | C | * | . | trans | -135.1 | 19.1 | -177.9 | -62.2 | -168.5 | -177.6 | -150.5 | 1.3 | 114 | T803 Q863 | T803-R865 PolarHBondContact O-N 2.79Å; Q863-R865 HydrophobicContact CB-CG 4.37Å; Q863-R865 PolarHBondContact O-N 3.07Å; Q863-R865 VanDerWaalsContact OE1-CZ 3.26Å | ||
| 866 | G | 70.3 | Confident | 85.9 | Confident | 27 Ų | 27 | 46.4 Ų | 46.4 | 28% | 0.278 | 24% | 0.235 | S | C | . | . | B | Isolated β-bridge | trans | -94.4 | 179.1 | -170.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | T803 S804 G805 | T803-G866 PolarHBondContact O-N 2.96Å; S804-G866 VanDerWaalsContact CA-O 3.31Å; S804-G866 WeakPolarHBondContact CA-O 3.45Å; G805-G866 PolarHBondContact N-O 3.25Å |
| 867 | G | 73.7 | Confident | 86 | Confident | 37 Ų | 37 | 46.3 Ų | 46.3 | 38% | 0.381 | 24% | 0.235 | S | C | . | . | trans | -83.4 | -176.9 | 158.1 | 0 | 0 | 0 | 0 | 0 | 111.6 | S839 | S839-G867 WeakPolarHBondContact CA-O 3.43Å; S839-G867 VanDerWaalsContact CB-O 3.32Å; S839-G867 WeakPolarHBondContact CB-O 3.42Å | ||
| 868 | T | 81.1 | Confident | 86 | Confident | 57 Ų | 57 | 46.7 Ų | 46.7 | 35% | 0.35 | 24% | 0.236 | S | C | . | . | trans | -119.8 | 115.9 | 177.5 | -51.1 | 0 | 0 | 0 | 0 | 110.3 | D802 S804 F838 L870 A899 | D802-T868 PolarHBondContact OD1-OG1 3.07Å; S804-T868 WeakPolarHBondContact CB-OG1 3.33Å; F838-T868 HydrophobicContact CE2-CG2 4.08Å; T868-L870 HydrophobicContact CG2-CG 4.19Å; T868-A899 HydrophobicContact CG2-CB 4.16Å | ||
| 869 | D | 85.9 | Confident | 86.1 | Confident | 61 Ų | 61 | 46.3 Ų | 46.3 | 33% | 0.326 | 24% | 0.24 | S | C | . | . | trans | -120.3 | 93.5 | 166 | -177.5 | 6.2 | 0 | 0 | 0 | 110.5 | S839 A871 S872 C873 | S839-D869 WeakPolarHBondContact O-CB 3.35Å; S839-D869 PolarHBondContact O-N 3.16Å; D869-A871 VanDerWaalsContact C-N 3.29Å; D869-A871 PolarHBondContact O-N 3.07Å; D869-A871 WeakPolarHBondContact OD1-CB 2.93Å; D869-A871 PolarHBondContact OD1-N 3.36Å; D869-S872 WeakPolarHBondContact CB-OG 3.34Å; D869-S872 PolarHBondContact O-OG 2.82Å; D869-S872 PolarHBondContact OD1-N 3.35Å; D869-S872 WeakPolarHBondContact OD2-CB 3.42Å; D869-S872 PolarHBondContact OD2-OG 2.84Å; D869-C873 PolarHBondContact O-N 2.69Å | ||
| 870 | L | 86.7 | Confident | 86 | Confident | 8 Ų | 8 | 49.1 Ų | 49.1 | 4% | 0.042 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.1 | -30 | 175.5 | -78.7 | 166 | 0 | 0 | 0 | 111.9 | F838 T868 C873 F874 V893 A899 L902 I934 | F838-L870 HydrophobicContact CE2-CD2 3.83Å; F838-L870 HydrophobicContact CE2-CG 4.3Å; F838-L870 HydrophobicContact CZ-CD2 3.83Å; T868-L870 HydrophobicContact CG2-CG 4.19Å; L870-C873 WeakPolarHBondContact O-CB 3.47Å; L870-C873 PolarHBondContact O-N 3.16Å; L870-F874 VanDerWaalsContact O-CD2 3.29Å; L870-F874 WeakPolarHBondContact O-CD2 3.47Å; L870-F874 PolarHBondContact O-N 3.33Å; L870-V893 HydrophobicContact CD2-CG1 4.24Å; L870-A899 HydrophobicContact CD1-CB 3.3Å; L870-A899 HydrophobicContact CG-CB 4.24Å; L870-L902 HydrophobicContact CB-CD2 3.93Å; L870-L902 HydrophobicContact CB-CG 4.47Å; L870-I934 HydrophobicContact CD1-CD1 4.27Å; L870-I934 HydrophobicContact CD1-CG2 4.43Å |
| 871 | A | 88.4 | Confident | 85.9 | Confident | 11 Ų | 11 | 49.1 Ų | 49.1 | 9% | 0.091 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -68.9 | -43.9 | -174.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D869 F874 R875 L902 P903 | D869-A871 VanDerWaalsContact C-N 3.29Å; D869-A871 PolarHBondContact O-N 3.07Å; D869-A871 WeakPolarHBondContact OD1-CB 2.93Å; D869-A871 PolarHBondContact OD1-N 3.36Å; A871-F874 PolarHBondContact O-N 2.76Å; A871-R875 WeakPolarHBondContact O-CG 3.38Å; A871-R875 PolarHBondContact O-N 3.06Å; A871-R875 VanDerWaalsContact O-N 3.11Å; A871-L902 HydrophobicContact CB-CD2 4.13Å; A871-P903 HydrophobicContact CB-CG 4.11Å |
| 872 | S | 88.5 | Confident | 85.7 | Confident | 25 Ų | 25 | 53.1 Ų | 53.1 | 18% | 0.175 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -64.7 | -39 | 173 | 58.3 | 0 | 0 | 0 | 0 | 112.3 | I842 D869 F874 R875 A876 | I842-S872 WeakPolarHBondContact CD1-O 3.46Å; D869-S872 WeakPolarHBondContact CB-OG 3.34Å; D869-S872 PolarHBondContact O-OG 2.82Å; D869-S872 PolarHBondContact OD1-N 3.35Å; D869-S872 WeakPolarHBondContact OD2-CB 3.42Å; D869-S872 PolarHBondContact OD2-OG 2.84Å; S872-F874 PolarHBondContact O-N 2.94Å; S872-R875 PolarHBondContact O-N 3.07Å; S872-A876 PolarHBondContact O-N 2.9Å |
| 873 | C | 90.5 | Very high | 85.5 | Confident | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.9 | -52.8 | 174.3 | 173.4 | 0 | 0 | 0 | 0 | 111.6 | C800 F838 D869 L870 R875 A876 I877 | C800-C873 WeakPolarHBondContact CB-SG 3.45Å; C800-C873 VanDerWaalsContact SG-SG 3.66Å; F838-C873 HydrophobicContact CB-CB 4.02Å; F838-C873 HydrophobicContact CD1-CB 4.15Å; F838-C873 HydrophobicContact CD2-CB 3.93Å; F838-C873 HydrophobicContact CE2-CB 4.4Å; F838-C873 HydrophobicContact CG-CB 3.79Å; D869-C873 PolarHBondContact O-N 2.69Å; L870-C873 WeakPolarHBondContact O-CB 3.47Å; L870-C873 PolarHBondContact O-N 3.16Å; C873-R875 VanDerWaalsContact C-N 3.34Å; C873-R875 PolarHBondContact O-N 2.79Å; C873-A876 PolarHBondContact O-N 2.92Å; C873-I877 WeakPolarHBondContact O-CG1 3.37Å; C873-I877 PolarHBondContact O-N 3.21Å |
| 874 | F | 91.6 | Very high | 85.4 | Confident | 0 Ų | 0 | 57.6 Ų | 57.6 | 0% | 0 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -61.7 | -40 | 177.8 | -87 | -81.9 | 0 | 0 | 0 | 112.6 | L870 A871 S872 A876 I877 M878 L902 V906 V910 F921 I937 F938 | L870-F874 VanDerWaalsContact O-CD2 3.29Å; L870-F874 WeakPolarHBondContact O-CD2 3.47Å; L870-F874 PolarHBondContact O-N 3.33Å; A871-F874 PolarHBondContact O-N 2.76Å; S872-F874 PolarHBondContact O-N 2.94Å; F874-A876 VanDerWaalsContact C-N 3.32Å; F874-A876 PolarHBondContact O-N 3.34Å; F874-I877 HydrophobicContact CD1-CD1 4.45Å; F874-I877 PolarHBondContact O-N 3.49Å; F874-M878 VanDerWaalsContact O-CG 3.25Å; F874-M878 WeakPolarHBondContact O-CG 3.36Å; F874-M878 PolarHBondContact O-N 2.83Å; F874-L902 HydrophobicContact CD2-CD1 3.89Å; F874-L902 HydrophobicContact CD2-CD2 3.93Å; F874-L902 HydrophobicContact CE2-CD1 3.59Å; F874-L902 HydrophobicContact CE2-CD2 4.42Å; F874-L902 HydrophobicContact CZ-CD1 4.29Å; F874-V906 HydrophobicContact CB-CG1 3.51Å; F874-V906 HydrophobicContact CG-CG1 4.13Å; F874-V910 HydrophobicContact CD1-CG2 3.53Å; F874-V910 HydrophobicContact CE1-CG1 4.4Å; F874-V910 HydrophobicContact CE1-CG2 3.97Å; F874-V910 HydrophobicContact CG-CG2 4.39Å; F874-F921 HydrophobicContact CD1-CD1 4.3Å; F874-F921 HydrophobicContact CD1-CE1 4.01Å; F874-F921 AromaticContact CE1-CD1 3.72Å; F874-F921 HydrophobicContact CE1-CD1 3.72Å; F874-F921 AromaticContact CE1-CE1 3.89Å; F874-F921 HydrophobicContact CE1-CE1 3.89Å; F874-I937 HydrophobicContact CZ-CG2 4.49Å; F874-F938 HydrophobicContact CE1-CE1 4.45Å; F874-F938 HydrophobicContact CE2-CZ 4.12Å; F874-F938 AromaticContact CZ-CE1 3.81Å; F874-F938 HydrophobicContact CZ-CE1 3.81Å; F874-F938 HydrophobicContact CZ-CE2 4.22Å; F874-F938 AromaticContact CZ-CZ 3.49Å; F874-F938 HydrophobicContact CZ-CZ 3.49Å; F874-F938 VanDerWaalsContact CZ-CZ 3.49Å |
| 875 | R | 92.1 | Very high | 85.4 | Confident | 116 Ų | 116 | 62.9 Ų | 62.9 | 44% | 0.438 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -59.9 | -42.6 | 175.6 | -71.5 | 179.2 | -171.1 | 123.1 | 0.7 | 112.2 | A871 S872 C873 M878 E879 D905 V906 | A871-R875 WeakPolarHBondContact O-CG 3.38Å; A871-R875 PolarHBondContact O-N 3.06Å; A871-R875 VanDerWaalsContact O-N 3.11Å; S872-R875 PolarHBondContact O-N 3.07Å; C873-R875 VanDerWaalsContact C-N 3.34Å; C873-R875 PolarHBondContact O-N 2.79Å; R875-M878 HydrophobicContact CB-CE 4.43Å; R875-M878 HydrophobicContact CG-CE 4.03Å; R875-M878 PolarHBondContact O-N 3.27Å; R875-E879 WeakPolarHBondContact O-CB 3.37Å; R875-E879 PolarHBondContact O-N 3.08Å; R875-D905 IonicContact NH2-OD2 3.49Å; R875-V906 HydrophobicContact CG-CG2 4.36Å |
| 876 | A | 91.2 | Very high | 86 | Confident | 8 Ų | 8 | 53.1 Ų | 53.1 | 7% | 0.066 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -70 | -31.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | M836 I842 S872 C873 F874 R880 | M836-A876 HydrophobicContact CE-CB 3.34Å; I842-A876 HydrophobicContact CD1-CB 3.57Å; S872-A876 PolarHBondContact O-N 2.9Å; C873-A876 PolarHBondContact O-N 2.92Å; F874-A876 VanDerWaalsContact C-N 3.32Å; F874-A876 PolarHBondContact O-N 3.34Å; A876-R880 PolarHBondContact O-N 2.92Å; A876-R880 VanDerWaalsContact O-N 3.12Å |
| 877 | I | 92 | Very high | 86.5 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -61.7 | -50.4 | 168.8 | -64 | 167.8 | 0 | 0 | 0 | 109.6 | I798 C800 M836 C873 F874 E879 R880 L881 A891 V893 F921 | I798-I877 HydrophobicContact CG2-CG1 4.25Å; C800-I877 WeakPolarHBondContact SG-CD1 3.36Å; C800-I877 WeakPolarHBondContact SG-CG1 3.17Å; M836-I877 HydrophobicContact CE-CG1 4.42Å; C873-I877 WeakPolarHBondContact O-CG1 3.37Å; C873-I877 PolarHBondContact O-N 3.21Å; F874-I877 HydrophobicContact CD1-CD1 4.45Å; F874-I877 PolarHBondContact O-N 3.49Å; I877-E879 VanDerWaalsContact C-N 3.34Å; I877-E879 PolarHBondContact O-N 3.3Å; I877-R880 PolarHBondContact O-N 3.15Å; I877-R880 VanDerWaalsContact O-N 3.08Å; I877-L881 HydrophobicContact CG2-CD1 3.82Å; I877-L881 HydrophobicContact CG2-CG 4.1Å; I877-L881 WeakPolarHBondContact O-CG 3.45Å; I877-L881 PolarHBondContact O-N 3.02Å; I877-A891 HydrophobicContact CG2-CB 3.83Å; I877-V893 HydrophobicContact CD1-CG2 4.01Å; I877-F921 HydrophobicContact CG2-CE1 3.87Å; I877-F921 HydrophobicContact CG2-CZ 4.33Å |
| 878 | M | 90.8 | Very high | 87 | Confident | 20 Ų | 20 | 57.9 Ų | 57.9 | 10% | 0.099 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -62 | -41.5 | -177.8 | -66 | -173.4 | -68.8 | 0 | 0 | 112.2 | F874 R875 R880 L881 Q882 V906 K909 V910 L913 | F874-M878 VanDerWaalsContact O-CG 3.25Å; F874-M878 WeakPolarHBondContact O-CG 3.36Å; F874-M878 PolarHBondContact O-N 2.83Å; R875-M878 HydrophobicContact CB-CE 4.43Å; R875-M878 HydrophobicContact CG-CE 4.03Å; R875-M878 PolarHBondContact O-N 3.27Å; M878-R880 VanDerWaalsContact C-N 3.3Å; M878-R880 PolarHBondContact O-N 3.18Å; M878-L881 PolarHBondContact O-N 2.82Å; M878-Q882 WeakPolarHBondContact O-CG 3.23Å; M878-Q882 PolarHBondContact O-N 3.35Å; M878-V906 HydrophobicContact CE-CG1 4.18Å; M878-K909 HydrophobicContact CE-CB 4.39Å; M878-K909 HydrophobicContact CE-CG 4.43Å; M878-K909 HydrophobicContact SD-CB 3.63Å; M878-K909 HydrophobicContact SD-CG 3.44Å; M878-K909 WeakPolarHBondContact SD-CG 3.32Å; M878-V910 HydrophobicContact SD-CG2 4.13Å; M878-L913 HydrophobicContact CB-CD1 4.1Å; M878-L913 HydrophobicContact CG-CD1 3.47Å; M878-L913 VanDerWaalsContact CG-CD1 3.47Å; M878-L913 HydrophobicContact SD-CD1 3.9Å |
| 879 | E | 90 | Very high | 87.3 | Confident | 118 Ų | 118 | 55.2 Ų | 55.2 | 55% | 0.551 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -56.7 | -43.9 | 172.4 | -175.9 | -173.4 | -171.3 | 0 | 0 | 111.3 | R844 R875 I877 Q882 | R844-E879 IonicContact NH2-OE2 3.71Å; R875-E879 WeakPolarHBondContact O-CB 3.37Å; R875-E879 PolarHBondContact O-N 3.08Å; I877-E879 VanDerWaalsContact C-N 3.34Å; I877-E879 PolarHBondContact O-N 3.3Å; E879-Q882 PolarHBondContact O-N 3.1Å |
| 880 | R | 89.1 | Confident | 87.3 | Confident | 63 Ų | 63 | 52.4 Ų | 52.4 | 24% | 0.238 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -70.1 | -40.4 | 179.8 | -164.3 | 63.4 | 167.5 | -176.8 | -1 | 112.4 | I798 Y834 A876 I877 M878 Q882 S883 W886 | I798-R880 HydrophobicContact CD1-CB 4.14Å; I798-R880 HydrophobicContact CD1-CG 3.98Å; Y834-R880 HydrophobicContact CE1-CG 4.47Å; A876-R880 PolarHBondContact O-N 2.92Å; A876-R880 VanDerWaalsContact O-N 3.12Å; I877-R880 PolarHBondContact O-N 3.15Å; I877-R880 VanDerWaalsContact O-N 3.08Å; M878-R880 VanDerWaalsContact C-N 3.3Å; M878-R880 PolarHBondContact O-N 3.18Å; R880-Q882 PolarHBondContact O-N 3.33Å; R880-S883 VanDerWaalsContact O-CB 3.28Å; R880-S883 WeakPolarHBondContact O-CB 2.99Å; R880-S883 PolarHBondContact O-N 2.96Å; R880-S883 PolarHBondContact O-OG 2.91Å; R880-W886 HydrophobicContact CG-CB 4.38Å; R880-W886 HydrophobicContact CG-CD2 4.25Å; R880-W886 HydrophobicContact CG-CG 3.97Å; R880-W886 WeakPolarHBondContact O-CB 3.36Å |
| 881 | L | 89.2 | Confident | 87.6 | Confident | 3 Ų | 3 | 52.1 Ų | 52.1 | 2% | 0.016 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -62.1 | -24.1 | 178.3 | -71 | 176.9 | 0 | 0 | 0 | 113.3 | I798 I877 M878 S883 W886 A889 L913 H919 F921 | I798-L881 HydrophobicContact CD1-CD2 3.71Å; I798-L881 HydrophobicContact CD1-CG 4.19Å; I877-L881 HydrophobicContact CG2-CD1 3.82Å; I877-L881 HydrophobicContact CG2-CG 4.1Å; I877-L881 WeakPolarHBondContact O-CG 3.45Å; I877-L881 PolarHBondContact O-N 3.02Å; M878-L881 PolarHBondContact O-N 2.82Å; L881-S883 PolarHBondContact O-N 3.01Å; L881-W886 WeakPolarHBondContact CD2-O 3.43Å; L881-A889 HydrophobicContact CD2-CB 3.78Å; L881-L913 HydrophobicContact CD1-CD1 4.34Å; L881-H919 HydrophobicContact CD1-CB 4.47Å; L881-F921 HydrophobicContact CD1-CZ 4Å |
| 882 | Q | 83.8 | Confident | 87.8 | Confident | 153 Ų | 153 | 51.6 Ų | 51.6 | 72% | 0.715 | 23% | 0.234 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -68 | -21.7 | 174 | -70.7 | 173.6 | 2.8 | 0 | 0 | 113.1 | M878 E879 R880 | M878-Q882 WeakPolarHBondContact O-CG 3.23Å; M878-Q882 PolarHBondContact O-N 3.35Å; E879-Q882 PolarHBondContact O-N 3.1Å; R880-Q882 PolarHBondContact O-N 3.33Å |
| 883 | S | 83.3 | Confident | 88 | Confident | 48 Ų | 48 | 50.4 Ų | 50.4 | 34% | 0.336 | 23% | 0.226 | S | C | . | . | S | Bend | trans | -72.9 | 133.2 | 177.5 | -60.1 | 0 | 0 | 0 | 0 | 110.6 | R880 L881 E885 W886 F887 | R880-S883 VanDerWaalsContact O-CB 3.28Å; R880-S883 WeakPolarHBondContact O-CB 2.99Å; R880-S883 PolarHBondContact O-N 2.96Å; R880-S883 PolarHBondContact O-OG 2.91Å; L881-S883 PolarHBondContact O-N 3.01Å; S883-E885 PolarHBondContact O-N 2.92Å; S883-W886 PolarHBondContact O-N 3.38Å; S883-F887 PolarHBondContact O-N 3.32Å |
| 884 | R | 81.1 | Confident | 88.1 | Confident | 239 Ų | 239 | 50.4 Ų | 50.4 | 90% | 0.902 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -50.8 | -34.7 | -178.3 | -173.5 | 178.7 | 177.8 | -177.8 | -0.3 | 113.6 | W886 | R884-W886 VanDerWaalsContact C-N 3.28Å; R884-W886 PolarHBondContact O-N 3.47Å |
| 885 | E | 81.2 | Confident | 88.1 | Confident | 122 Ų | 122 | 50.4 Ų | 50.4 | 57% | 0.57 | 23% | 0.226 | S | C | * | . | G | 310 helix | trans | -73.9 | -15.2 | -178 | -50.9 | 178.3 | 147.7 | 0 | 0 | 114.4 | R832 S883 | R832-E885 IonicContact CZ-OE2 2.76Å; R832-E885 VanDerWaalsContact NH1-CB 3.31Å; R832-E885 IonicContact NH1-OE1 3.92Å; R832-E885 IonicContact NH1-OE2 2.78Å; R832-E885 PolarHBondContact NH1-OE2 3.19Å; R832-E885 IonicContact NH2-OE2 2.89Å; S883-E885 PolarHBondContact O-N 2.92Å |
| 886 | W | 86.5 | Confident | 87.8 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 21% | 0.206 | C | C | . | . | G | 310 helix | trans | -122.6 | 8.3 | -175.7 | -59 | 90.4 | 0 | 0 | 0 | 112.1 | P796 I798 R832 Y834 R880 L881 S883 R884 D888 A889 | P796-W886 HydrophobicContact CB-CE3 3.77Å; P796-W886 HydrophobicContact CB-CH2 4.47Å; P796-W886 HydrophobicContact CB-CZ3 3.63Å; P796-W886 HydrophobicContact CG-CD2 4.43Å; P796-W886 HydrophobicContact CG-CE3 3.72Å; P796-W886 HydrophobicContact CG-CZ3 4.13Å; I798-W886 HydrophobicContact CD1-CB 4.39Å; I798-W886 HydrophobicContact CD1-CE3 4.16Å; I798-W886 HydrophobicContact CG1-CE3 3.7Å; I798-W886 HydrophobicContact CG1-CZ3 4.15Å; R832-W886 HydrophobicContact CB-CH2 3.53Å; R832-W886 HydrophobicContact CB-CZ2 4.23Å; R832-W886 HydrophobicContact CB-CZ3 3.98Å; R832-W886 VanDerWaalsContact CZ-CZ2 3.41Å; Y834-W886 VanDerWaalsContact CB-CH2 3.43Å; Y834-W886 HydrophobicContact CG-CH2 4.25Å; R880-W886 HydrophobicContact CG-CB 4.38Å; R880-W886 HydrophobicContact CG-CD2 4.25Å; R880-W886 HydrophobicContact CG-CG 3.97Å; R880-W886 WeakPolarHBondContact O-CB 3.36Å; L881-W886 WeakPolarHBondContact CD2-O 3.43Å; S883-W886 PolarHBondContact O-N 3.38Å; R884-W886 VanDerWaalsContact C-N 3.28Å; R884-W886 PolarHBondContact O-N 3.47Å; W886-D888 PolarHBondContact O-N 3.37Å; W886-D888 VanDerWaalsContact O-N 3.12Å; W886-A889 HydrophobicContact CB-CB 4.41Å; W886-A889 HydrophobicContact CE3-CB 4.35Å; W886-A889 WeakPolarHBondContact O-CB 3.36Å; W886-A889 PolarHBondContact O-N 3.27Å; W886-A889 VanDerWaalsContact O-N 3.1Å |
| 887 | F | 80.7 | Confident | 87.6 | Confident | 101 Ų | 101 | 44.8 Ų | 44.8 | 44% | 0.443 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.6 | -175.2 | -179.4 | -97.5 | 0 | 0 | 0 | 113.1 | S883 H917 H919 | S883-F887 PolarHBondContact O-N 3.32Å; F887-H917 HydrophobicContact CE2-CB 4.47Å; F887-H917 AromaticContact CE2-ND1 3.43Å; F887-H917 WeakPolarHBondContact CE2-ND1 3.34Å; F887-H917 HydrophobicContact CZ-CB 4.36Å; F887-H917 AromaticContact CZ-ND1 3.54Å; F887-H919 PolarHBondContact O-CE1 3.45Å; F887-H919 PolarHBondContact O-ND1 2.86Å |
| 888 | D | 83 | Confident | 87 | Confident | 62 Ų | 62 | 49.2 Ų | 49.2 | 33% | 0.332 | 23% | 0.226 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -114.2 | 19.7 | -179 | 82.4 | -44.4 | 0 | 0 | 0 | 112.3 | R698 G795 P796 W886 | R698-D888 IonicContact CZ-OD2 3.18Å; R698-D888 VanDerWaalsContact CZ-OD2 3.3Å; R698-D888 IonicContact NH1-OD2 3.94Å; R698-D888 PolarHBondContact NH1-OD2 3.01Å; R698-D888 VanDerWaalsContact NH2-CB 3.27Å; R698-D888 PolarHBondContact NH2-O 3.26Å; R698-D888 VanDerWaalsContact NH2-O 3.15Å; R698-D888 IonicContact NH2-OD2 2.78Å; R698-D888 PolarHBondContact NH2-OD2 3.1Å; G795-D888 VanDerWaalsContact CA-OD2 3.27Å; G795-D888 WeakPolarHBondContact CA-OD2 3.39Å; P796-D888 WeakPolarHBondContact CD-OD1 3.33Å; W886-D888 PolarHBondContact O-N 3.37Å; W886-D888 VanDerWaalsContact O-N 3.12Å |
| 889 | A | 87.2 | Confident | 86.1 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 1% | 0.008 | 23% | 0.225 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 146.2 | -176.4 | 0 | 0 | 0 | 0 | 0 | 113.7 | P796 I798 L881 W886 | P796-A889 HydrophobicContact CG-CB 3.74Å; P796-A889 CarbonylContact O-C 3.34Å; P796-A889 WeakPolarHBondContact O-CA 3.5Å; P796-A889 WeakPolarHBondContact O-CB 3.16Å; I798-A889 HydrophobicContact CD1-CB 3.79Å; I798-A889 HydrophobicContact CG1-CB 3.95Å; L881-A889 HydrophobicContact CD2-CB 3.78Å; W886-A889 HydrophobicContact CB-CB 4.41Å; W886-A889 HydrophobicContact CE3-CB 4.35Å; W886-A889 WeakPolarHBondContact O-CB 3.36Å; W886-A889 PolarHBondContact O-N 3.27Å; W886-A889 VanDerWaalsContact O-N 3.1Å |
| 890 | D | 87.5 | Confident | 85.2 | Confident | 3 Ų | 3 | 51.1 Ų | 51.1 | 2% | 0.016 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -88.3 | 120.2 | 165.9 | -67.6 | -40.7 | 0 | 0 | 0 | 109.3 | P796 F797 I798 R831 R920 | P796-D890 PolarHBondContact O-N 3.03Å; F797-D890 HydrophobicContact CD1-CB 4.38Å; I798-D890 PolarHBondContact N-O 3.21Å; R831-D890 IonicContact NH2-OD2 3Å; D890-R920 IonicContact OD1-CZ 2.82Å; D890-R920 IonicContact OD1-NE 3.85Å; D890-R920 PolarHBondContact OD1-NE 3.14Å; D890-R920 IonicContact OD1-NH2 3.96Å; D890-R920 PolarHBondContact OD1-NH2 2.96Å; D890-R920 IonicContact OD2-CZ 2.88Å; D890-R920 IonicContact OD2-NH2 2.83Å; D890-R920 PolarHBondContact OD2-NH2 3.34Å |
| 891 | A | 91.6 | Very high | 84.6 | Confident | 1 Ų | 1 | 57.4 Ų | 57.4 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89 | 120.9 | 176 | 0 | 0 | 0 | 0 | 0 | 109.9 | I798 I877 R920 F921 H922 | I798-A891 CarbonylContact O-C 3.11Å; I798-A891 WeakPolarHBondContact O-CA 3.45Å; I877-A891 HydrophobicContact CG2-CB 3.83Å; A891-R920 PolarHBondContact N-O 3.28Å; A891-F921 HydrophobicContact CB-CD1 3.69Å; A891-F921 HydrophobicContact CB-CE1 3.83Å; A891-F921 HydrophobicContact CB-CG 4.25Å; A891-F921 HydrophobicContact CB-CZ 4.48Å; A891-F921 CarbonylContact O-C 3.59Å; A891-F921 WeakPolarHBondContact O-CA 3.37Å; A891-H922 PolarHBondContact O-N 3.49Å |
| 892 | V | 93.2 | Very high | 84.3 | Confident | 0 Ų | 0 | 57.7 Ų | 57.7 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -118.4 | 115.5 | -177.3 | -174 | 0 | 0 | 0 | 0 | 108.9 | L694 I798 V799 C800 F818 I894 H922 V924 | L694-V892 HydrophobicContact CD1-CB 4.46Å; L694-V892 HydrophobicContact CD1-CG1 3.78Å; L694-V892 HydrophobicContact CD1-CG2 3.79Å; L694-V892 HydrophobicContact CD2-CG2 3.81Å; L694-V892 HydrophobicContact CG-CG2 4.39Å; I798-V892 PolarHBondContact O-N 2.77Å; V799-V892 CarbonylContact C-O 3.28Å; V799-V892 WeakPolarHBondContact CA-O 3.26Å; V799-V892 HydrophobicContact CG1-CB 4.44Å; V799-V892 HydrophobicContact CG2-CB 4.4Å; C800-V892 PolarHBondContact N-O 2.91Å; F818-V892 HydrophobicContact CE1-CG1 4.31Å; V892-I894 HydrophobicContact CG1-CG1 4.45Å; V892-H922 CarbonylContact C-O 3.45Å; V892-H922 WeakPolarHBondContact CA-O 3.48Å; V892-H922 HydrophobicContact CG1-CB 4.47Å; V892-H922 HydrophobicContact CG2-CB 4.31Å; V892-V924 HydrophobicContact CG1-CG2 3.71Å |
| 893 | V | 93.1 | Very high | 84.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 24% | 0.242 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.6 | 122.4 | 177.8 | -177 | 0 | 0 | 0 | 0 | 109.5 | C800 F838 L870 I877 F897 H922 A923 V924 F938 | C800-V893 HydrophobicContact CB-CG2 4.3Å; C800-V893 CarbonylContact O-C 3.59Å; C800-V893 WeakPolarHBondContact O-CA 3.4Å; F838-V893 HydrophobicContact CE1-CG1 4.27Å; F838-V893 HydrophobicContact CZ-CG1 4.23Å; L870-V893 HydrophobicContact CD2-CG1 4.24Å; I877-V893 HydrophobicContact CD1-CG2 4.01Å; V893-F897 HydrophobicContact CB-CE1 4.46Å; V893-F897 HydrophobicContact CB-CZ 4.31Å; V893-F897 HydrophobicContact CG1-CE1 3.91Å; V893-F897 HydrophobicContact CG1-CZ 4.06Å; V893-F897 WeakPolarHBondContact O-CZ 3.45Å; V893-H922 PolarHBondContact N-O 3.25Å; V893-A923 CarbonylContact O-C 3.49Å; V893-A923 WeakPolarHBondContact O-CA 3.49Å; V893-V924 PolarHBondContact O-N 2.88Å; V893-F938 HydrophobicContact CB-CE1 3.74Å; V893-F938 HydrophobicContact CB-CZ 3.91Å; V893-F938 HydrophobicContact CG1-CZ 4.3Å; V893-F938 HydrophobicContact CG2-CE1 3.67Å; V893-F938 HydrophobicContact CG2-CZ 4.06Å |
| 894 | I | 92.9 | Very high | 84.7 | Confident | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 114.4 | 179.6 | -46.7 | -177.7 | 0 | 0 | 0 | 108.7 | V799 C800 V801 D802 M807 A815 F818 V892 V924 M926 | V799-I894 HydrophobicContact CG1-CD1 3.78Å; V799-I894 HydrophobicContact CG1-CG1 4.21Å; C800-I894 PolarHBondContact O-N 3.35Å; V801-I894 HydrophobicContact CG2-CD1 4.15Å; D802-I894 VanDerWaalsContact CB-O 3.25Å; D802-I894 WeakPolarHBondContact CB-O 3.25Å; D802-I894 PolarHBondContact N-O 3.35Å; M807-I894 HydrophobicContact CE-CG2 4.21Å; A815-I894 HydrophobicContact CB-CG2 4.08Å; F818-I894 HydrophobicContact CD1-CD1 3.53Å; F818-I894 HydrophobicContact CD1-CG1 4.46Å; F818-I894 HydrophobicContact CE1-CD1 4.13Å; F818-I894 HydrophobicContact CG-CD1 4.5Å; V892-I894 HydrophobicContact CG1-CG1 4.45Å; I894-V924 HydrophobicContact CB-CB 4.4Å; I894-V924 HydrophobicContact CG1-CB 4.09Å; I894-V924 HydrophobicContact CG1-CG2 4.33Å; I894-V924 HydrophobicContact CG2-CB 4.29Å; I894-V924 HydrophobicContact CG2-CG1 4.34Å; I894-M926 HydrophobicContact CG2-CE 3.87Å; I894-M926 HydrophobicContact CG2-CG 4.06Å |
| 895 | S | 90.5 | Very high | 85.1 | Confident | 0 Ų | 0 | 48.4 Ų | 48.4 | 0% | 0 | 23% | 0.234 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -159.6 | 168.1 | -180 | 178.8 | 0 | 0 | 0 | 0 | 110.5 | D802 F897 V924 A925 M926 | D802-S895 PolarHBondContact OD2-OG 3.21Å; S895-F897 WeakPolarHBondContact O-CD2 3.34Å; S895-F897 WeakPolarHBondContact O-CE2 2.9Å; S895-F897 PolarHBondContact OG-N 3.25Å; S895-V924 PolarHBondContact N-O 3.07Å; S895-A925 WeakPolarHBondContact O-CA 3.41Å; S895-M926 PolarHBondContact O-N 2.93Å |
| 896 | D | 87 | Confident | 85.4 | Confident | 6 Ų | 6 | 42.8 Ų | 42.8 | 3% | 0.032 | 21% | 0.207 | C | C | . | . | trans | -78.3 | -11.9 | 164.1 | 68.1 | 8.3 | 0 | 0 | 0 | 112.7 | S806 M807 I898 S927 | S806-D896 WeakPolarHBondContact CB-OD2 3.33Å; S806-D896 PolarHBondContact OG-OD2 3.2Å; M807-D896 HydrophobicContact SD-CB 4.17Å; M807-D896 PolarHBondContact SD-N 3.24Å; D896-I898 HydrophobicContact CB-CD1 4.26Å; D896-I898 HydrophobicContact CB-CG1 4.15Å; D896-I898 PolarHBondContact O-N 3.03Å; D896-I898 PolarHBondContact OD1-N 3.24Å; D896-S927 PolarHBondContact O-OG 3.45Å | ||
| 897 | F | 87.1 | Confident | 85.5 | Confident | 0 Ų | 0 | 43.8 Ų | 43.8 | 0% | 0 | 21% | 0.214 | C | C | . | . | trans | 55.6 | 28.9 | -178 | -60 | -78.7 | 0 | 0 | 0 | 114.7 | V893 S895 A899 A923 A925 K931 I934 M935 F938 | V893-F897 HydrophobicContact CB-CE1 4.46Å; V893-F897 HydrophobicContact CB-CZ 4.31Å; V893-F897 HydrophobicContact CG1-CE1 3.91Å; V893-F897 HydrophobicContact CG1-CZ 4.06Å; V893-F897 WeakPolarHBondContact O-CZ 3.45Å; S895-F897 WeakPolarHBondContact O-CD2 3.34Å; S895-F897 WeakPolarHBondContact O-CE2 2.9Å; S895-F897 PolarHBondContact OG-N 3.25Å; F897-A899 PolarHBondContact O-N 3.18Å; F897-A923 HydrophobicContact CE1-CB 4.34Å; F897-A923 HydrophobicContact CE2-CB 3.82Å; F897-A923 HydrophobicContact CZ-CB 3.54Å; F897-A925 HydrophobicContact CD2-CB 3.89Å; F897-A925 HydrophobicContact CE2-CB 4.03Å; F897-K931 PolarHBondContact O-N 2.98Å; F897-K931 VanDerWaalsContact O-N 3.14Å; F897-I934 HydrophobicContact CD1-CG2 4.18Å; F897-M935 HydrophobicContact CB-SD 3.86Å; F897-M935 HydrophobicContact CD1-SD 4.21Å; F897-M935 HydrophobicContact CD2-CE 4.3Å; F897-M935 HydrophobicContact CD2-SD 3.79Å; F897-M935 HydrophobicContact CE2-SD 4.39Å; F897-M935 HydrophobicContact CG-SD 3.68Å; F897-F938 HydrophobicContact CD1-CE2 4.36Å; F897-F938 AromaticContact CE1-CE2 3.71Å; F897-F938 HydrophobicContact CE1-CE2 3.71Å; F897-F938 AromaticContact CE1-CZ 3.67Å; F897-F938 HydrophobicContact CE1-CZ 3.67Å; F897-F938 HydrophobicContact CZ-CE2 4.28Å; F897-F938 HydrophobicContact CZ-CZ 4.14Å | ||
| 898 | I | 78.9 | Confident | 85.8 | Confident | 93 Ų | 93 | 42.6 Ų | 42.6 | 48% | 0.477 | 22% | 0.218 | S | C | . | . | trans | -90.3 | 53.9 | 173.6 | -47.1 | 176.7 | 0 | 0 | 0 | 109.3 | D896 H929 | D896-I898 HydrophobicContact CB-CD1 4.26Å; D896-I898 HydrophobicContact CB-CG1 4.15Å; D896-I898 PolarHBondContact O-N 3.03Å; D896-I898 PolarHBondContact OD1-N 3.24Å; I898-H929 HydrophobicContact CD1-CB 4.17Å; I898-H929 HydrophobicContact CG1-CB 4.37Å | ||
| 899 | A | 71.9 | Confident | 86.1 | Confident | 11 Ų | 11 | 43.5 Ų | 43.5 | 9% | 0.091 | 22% | 0.219 | C | C | . | . | trans | -115.4 | 175.8 | -171.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | T868 L870 F897 K931 I934 | T868-A899 HydrophobicContact CG2-CB 4.16Å; L870-A899 HydrophobicContact CD1-CB 3.3Å; L870-A899 HydrophobicContact CG-CB 4.24Å; F897-A899 PolarHBondContact O-N 3.18Å; A899-K931 VanDerWaalsContact O-CD 3.3Å; A899-K931 WeakPolarHBondContact O-CD 3.44Å; A899-K931 VanDerWaalsContact O-CE 3.3Å; A899-K931 WeakPolarHBondContact O-CE 3.46Å; A899-K931 PolarHBondContact O-NZ 3.19Å; A899-I934 HydrophobicContact CB-CD1 4.2Å | ||
| 900 | Q | 69.9 | Low | 86.1 | Confident | 168 Ų | 168 | 43.5 Ų | 43.5 | 79% | 0.785 | 22% | 0.219 | S | C | * | . | P | Polyproline II helix | trans | -69.4 | 158.9 | 173.4 | -63.5 | -175.8 | 3.3 | 0 | 0 | 111.3 | L902 I934 | Q900-L902 PolarHBondContact O-N 3.35Å; Q900-I934 WeakPolarHBondContact O-CD1 3.47Å |
| 901 | R | 76.5 | Confident | 86.2 | Confident | 195 Ų | 195 | 49 Ų | 49 | 74% | 0.736 | 24% | 0.243 | S | C | * | . | P | Polyproline II helix | trans | -62.6 | 134.4 | 177.2 | -175.5 | 178.1 | 171.9 | -179.3 | -8.9 | 109 | D904 | R901-D904 IonicContact NH2-OD1 2.77Å; R901-D904 PolarHBondContact NH2-OD1 2.91Å |
| 902 | L | 84.1 | Confident | 86 | Confident | 8 Ų | 8 | 52.9 Ų | 52.9 | 4% | 0.042 | 26% | 0.261 | C | S | . | . | P | Polyproline II helix | trans | -65.8 | 140.2 | 175.2 | -82.7 | 160.5 | 0 | 0 | 0 | 110.5 | L870 A871 F874 Q900 V906 I934 I937 | L870-L902 HydrophobicContact CB-CD2 3.93Å; L870-L902 HydrophobicContact CB-CG 4.47Å; A871-L902 HydrophobicContact CB-CD2 4.13Å; F874-L902 HydrophobicContact CD2-CD1 3.89Å; F874-L902 HydrophobicContact CD2-CD2 3.93Å; F874-L902 HydrophobicContact CE2-CD1 3.59Å; F874-L902 HydrophobicContact CE2-CD2 4.42Å; F874-L902 HydrophobicContact CZ-CD1 4.29Å; Q900-L902 PolarHBondContact O-N 3.35Å; L902-V906 HydrophobicContact CD2-CG1 4.37Å; L902-I934 HydrophobicContact CD1-CG2 4.2Å; L902-I937 HydrophobicContact CB-CD1 4.24Å; L902-I937 HydrophobicContact CD1-CD1 3.45Å; L902-I937 VanDerWaalsContact CD1-CD1 3.45Å; L902-I937 HydrophobicContact CG-CD1 4.47Å |
| 903 | P | 87.5 | Confident | 85.6 | Confident | 47 Ų | 47 | 53.7 Ų | 53.7 | 31% | 0.305 | 27% | 0.265 | S | S | . | . | P | Polyproline II helix | trans | -53.9 | 144.3 | 171.4 | -27.5 | 36.9 | 0 | 0 | 0 | 112.3 | A871 D905 V906 T907 | A871-P903 HydrophobicContact CB-CG 4.11Å; P903-D905 VanDerWaalsContact C-N 3.27Å; P903-D905 WeakPolarHBondContact CB-OD1 3.17Å; P903-D905 PolarHBondContact O-N 2.83Å; P903-V906 HydrophobicContact CB-CG2 4.29Å; P903-V906 PolarHBondContact O-N 3.35Å; P903-T907 PolarHBondContact O-N 2.98Å; P903-T907 VanDerWaalsContact O-N 3.13Å; P903-T907 PolarHBondContact O-OG1 2.94Å |
| 904 | D | 86.5 | Confident | 85.3 | Confident | 102 Ų | 102 | 55 Ų | 55 | 55% | 0.545 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -68.3 | -27 | -174.8 | -68.8 | -34.3 | 0 | 0 | 0 | 112 | R901 T907 S908 | R901-D904 IonicContact NH2-OD1 2.77Å; R901-D904 PolarHBondContact NH2-OD1 2.91Å; D904-T907 PolarHBondContact O-N 3.11Å; D904-S908 WeakPolarHBondContact O-CB 3.39Å; D904-S908 PolarHBondContact O-N 3.24Å; D904-S908 PolarHBondContact O-OG 3.31Å |
| 905 | D | 89.8 | Confident | 84.7 | Confident | 97 Ų | 97 | 65 Ų | 65 | 52% | 0.519 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.4 | -48.3 | 173 | 60.5 | -59.2 | 0 | 0 | 0 | 111.6 | R875 P903 T907 S908 K909 | R875-D905 IonicContact NH2-OD2 3.49Å; P903-D905 VanDerWaalsContact C-N 3.27Å; P903-D905 WeakPolarHBondContact CB-OD1 3.17Å; P903-D905 PolarHBondContact O-N 2.83Å; D905-T907 PolarHBondContact O-N 3.44Å; D905-S908 PolarHBondContact O-N 3.4Å; D905-K909 PolarHBondContact O-N 3.05Å |
| 906 | V | 88.6 | Confident | 84.2 | Confident | 3 Ų | 3 | 69.5 Ų | 69.5 | 2% | 0.018 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -63.1 | -45.4 | 177.9 | 178.3 | 0 | 0 | 0 | 0 | 110.2 | F874 R875 M878 L902 P903 S908 K909 V910 | F874-V906 HydrophobicContact CB-CG1 3.51Å; F874-V906 HydrophobicContact CG-CG1 4.13Å; R875-V906 HydrophobicContact CG-CG2 4.36Å; M878-V906 HydrophobicContact CE-CG1 4.18Å; L902-V906 HydrophobicContact CD2-CG1 4.37Å; P903-V906 HydrophobicContact CB-CG2 4.29Å; P903-V906 PolarHBondContact O-N 3.35Å; V906-S908 VanDerWaalsContact C-N 3.29Å; V906-S908 PolarHBondContact O-N 2.87Å; V906-K909 PolarHBondContact O-N 3.17Å; V906-V910 HydrophobicContact CG1-CG2 4.46Å; V906-V910 WeakPolarHBondContact O-CG2 3.07Å; V906-V910 PolarHBondContact O-N 3.13Å |
| 907 | T | 87.8 | Confident | 83.6 | Confident | 22 Ų | 22 | 72.9 Ų | 72.9 | 14% | 0.135 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.3 | -39.9 | 179.4 | -54.2 | 0 | 0 | 0 | 0 | 111.7 | P903 D904 D905 K911 I937 | P903-T907 PolarHBondContact O-N 2.98Å; P903-T907 VanDerWaalsContact O-N 3.13Å; P903-T907 PolarHBondContact O-OG1 2.94Å; D904-T907 PolarHBondContact O-N 3.11Å; D905-T907 PolarHBondContact O-N 3.44Å; T907-K911 WeakPolarHBondContact O-CG 3.2Å; T907-K911 PolarHBondContact O-N 3.19Å; T907-K911 VanDerWaalsContact O-N 3.15Å; T907-I937 HydrophobicContact CG2-CD1 4.05Å; T907-I937 HydrophobicContact CG2-CG1 4.02Å |
| 908 | S | 87.9 | Confident | 83.3 | Confident | 76 Ų | 76 | 79.6 Ų | 79.6 | 53% | 0.531 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -67.3 | -42.6 | 178.6 | -59.5 | 0 | 0 | 0 | 0 | 111.5 | D904 D905 V906 K911 E912 | D904-S908 WeakPolarHBondContact O-CB 3.39Å; D904-S908 PolarHBondContact O-N 3.24Å; D904-S908 PolarHBondContact O-OG 3.31Å; D905-S908 PolarHBondContact O-N 3.4Å; V906-S908 VanDerWaalsContact C-N 3.29Å; V906-S908 PolarHBondContact O-N 2.87Å; S908-K911 PolarHBondContact O-N 2.83Å; S908-E912 PolarHBondContact O-N 3.4Å |
| 909 | K | 88.5 | Confident | 83.5 | Confident | 81 Ų | 81 | 75.7 Ų | 75.7 | 35% | 0.352 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -67.8 | -38.5 | 178.8 | -163.6 | 74.4 | -160.1 | 165.3 | 0 | 112.7 | M878 D905 V906 E912 L913 | M878-K909 HydrophobicContact CE-CB 4.39Å; M878-K909 HydrophobicContact CE-CG 4.43Å; M878-K909 HydrophobicContact SD-CB 3.63Å; M878-K909 HydrophobicContact SD-CG 3.44Å; M878-K909 WeakPolarHBondContact SD-CG 3.32Å; D905-K909 PolarHBondContact O-N 3.05Å; V906-K909 PolarHBondContact O-N 3.17Å; K909-E912 WeakPolarHBondContact CD-OE2 3.44Å; K909-E912 WeakPolarHBondContact CE-OE2 3.45Å; K909-E912 IonicContact NZ-OE1 2.91Å; K909-E912 PolarHBondContact NZ-OE1 3.05Å; K909-E912 IonicContact NZ-OE2 3.99Å; K909-E912 PolarHBondContact NZ-OE2 3.24Å; K909-E912 WeakPolarHBondContact O-CB 3.46Å; K909-E912 PolarHBondContact O-N 3.38Å; K909-L913 WeakPolarHBondContact O-CG 3.24Å; K909-L913 PolarHBondContact O-N 2.74Å |
| 910 | V | 88.3 | Confident | 84.1 | Confident | 0 Ų | 0 | 77.3 Ų | 77.3 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.7 | -44.9 | 173.7 | 171.9 | 0 | 0 | 0 | 0 | 111 | F874 M878 V906 E912 L913 Q914 F921 I937 | F874-V910 HydrophobicContact CD1-CG2 3.53Å; F874-V910 HydrophobicContact CE1-CG1 4.4Å; F874-V910 HydrophobicContact CE1-CG2 3.97Å; F874-V910 HydrophobicContact CG-CG2 4.39Å; M878-V910 HydrophobicContact SD-CG2 4.13Å; V906-V910 HydrophobicContact CG1-CG2 4.46Å; V906-V910 WeakPolarHBondContact O-CG2 3.07Å; V906-V910 PolarHBondContact O-N 3.13Å; V910-E912 VanDerWaalsContact C-N 3.32Å; V910-E912 PolarHBondContact O-N 3.12Å; V910-L913 WeakPolarHBondContact O-CB 3.47Å; V910-L913 PolarHBondContact O-N 3.07Å; V910-Q914 WeakPolarHBondContact O-CG 3.47Å; V910-Q914 PolarHBondContact O-N 3.31Å; V910-F921 HydrophobicContact CG1-CD1 4.3Å; V910-F921 HydrophobicContact CG1-CD2 3.88Å; V910-F921 HydrophobicContact CG1-CE1 4.2Å; V910-F921 HydrophobicContact CG1-CE2 3.8Å; V910-F921 HydrophobicContact CG1-CG 4.14Å; V910-F921 HydrophobicContact CG1-CZ 3.97Å; V910-F921 HydrophobicContact CG2-CE1 4.45Å; V910-F921 HydrophobicContact CG2-CZ 4.37Å; V910-I937 HydrophobicContact CB-CG2 4.34Å; V910-I937 HydrophobicContact CG1-CG2 3.73Å |
| 911 | K | 87.7 | Confident | 85 | Confident | 119 Ų | 119 | 69.3 Ų | 69.3 | 52% | 0.517 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.9 | -36.2 | 175.6 | -74.4 | -178.8 | 179.3 | -178.6 | 0 | 113 | T907 S908 Q914 R915 | T907-K911 WeakPolarHBondContact O-CG 3.2Å; T907-K911 PolarHBondContact O-N 3.19Å; T907-K911 VanDerWaalsContact O-N 3.15Å; S908-K911 PolarHBondContact O-N 2.83Å; K911-Q914 PolarHBondContact O-N 3.44Å; K911-R915 VanDerWaalsContact O-CB 3.25Å; K911-R915 WeakPolarHBondContact O-CB 3.41Å; K911-R915 PolarHBondContact O-N 3.45Å |
| 912 | E | 87.5 | Confident | 85.7 | Confident | 83 Ų | 83 | 60 Ų | 60 | 39% | 0.388 | 29% | 0.294 | S | S | . | . | H | α-helix | trans | -62.7 | -46.8 | 173.2 | -170.5 | -168.6 | 152.5 | 0 | 0 | 110.6 | S908 K909 V910 Q914 R915 V916 | S908-E912 PolarHBondContact O-N 3.4Å; K909-E912 WeakPolarHBondContact CD-OE2 3.44Å; K909-E912 WeakPolarHBondContact CE-OE2 3.45Å; K909-E912 IonicContact NZ-OE1 2.91Å; K909-E912 PolarHBondContact NZ-OE1 3.05Å; K909-E912 IonicContact NZ-OE2 3.99Å; K909-E912 PolarHBondContact NZ-OE2 3.24Å; K909-E912 WeakPolarHBondContact O-CB 3.46Å; K909-E912 PolarHBondContact O-N 3.38Å; V910-E912 VanDerWaalsContact C-N 3.32Å; V910-E912 PolarHBondContact O-N 3.12Å; E912-Q914 PolarHBondContact O-N 3.04Å; E912-R915 PolarHBondContact O-N 3.28Å; E912-V916 HydrophobicContact CG-CG2 3.95Å; E912-V916 VanDerWaalsContact O-CB 3.24Å; E912-V916 WeakPolarHBondContact O-CB 3.29Å; E912-V916 WeakPolarHBondContact O-CG2 3.35Å; E912-V916 PolarHBondContact O-N 2.71Å |
| 913 | L | 86.5 | Confident | 86.1 | Confident | 16 Ų | 16 | 59.6 Ų | 59.6 | 8% | 0.084 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 175.7 | -73.5 | 171.7 | 0 | 0 | 0 | 112.5 | M878 L881 K909 V910 H917 Q918 H919 | M878-L913 HydrophobicContact CB-CD1 4.1Å; M878-L913 HydrophobicContact CG-CD1 3.47Å; M878-L913 VanDerWaalsContact CG-CD1 3.47Å; M878-L913 HydrophobicContact SD-CD1 3.9Å; L881-L913 HydrophobicContact CD1-CD1 4.34Å; K909-L913 WeakPolarHBondContact O-CG 3.24Å; K909-L913 PolarHBondContact O-N 2.74Å; V910-L913 WeakPolarHBondContact O-CB 3.47Å; V910-L913 PolarHBondContact O-N 3.07Å; L913-H917 CarbonylContact O-C 3.56Å; L913-H917 WeakPolarHBondContact O-CA 3.31Å; L913-H917 WeakPolarHBondContact O-CB 3.22Å; L913-H917 PolarHBondContact O-N 2.92Å; L913-H917 VanDerWaalsContact O-N 3.11Å; L913-Q918 PolarHBondContact O-N 3.4Å; L913-Q918 VanDerWaalsContact O-N 3.13Å; L913-H919 PolarHBondContact O-N 3.08Å |
| 914 | Q | 85 | Confident | 86.3 | Confident | 28 Ų | 28 | 57.4 Ų | 57.4 | 13% | 0.131 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 174.3 | -73.7 | 167.3 | -38.4 | 0 | 0 | 112.2 | V910 K911 E912 Q918 H919 F921 I937 D939 | V910-Q914 WeakPolarHBondContact O-CG 3.47Å; V910-Q914 PolarHBondContact O-N 3.31Å; K911-Q914 PolarHBondContact O-N 3.44Å; E912-Q914 PolarHBondContact O-N 3.04Å; Q914-Q918 VanDerWaalsContact O-CA 3.24Å; Q914-Q918 WeakPolarHBondContact O-CA 3.42Å; Q914-Q918 PolarHBondContact O-N 2.97Å; Q914-H919 WeakPolarHBondContact CA-O 3.27Å; Q914-H919 WeakPolarHBondContact CG-O 3.24Å; Q914-F921 HydrophobicContact CG-CD2 3.74Å; Q914-F921 HydrophobicContact CG-CE2 4.12Å; Q914-I937 PolarHBondContact NE2-O 3.49Å; Q914-D939 VanDerWaalsContact NE2-CG 3.29Å; Q914-D939 PolarHBondContact NE2-OD1 3.21Å; Q914-D939 PolarHBondContact NE2-OD2 2.81Å |
| 915 | R | 82.1 | Confident | 86.4 | Confident | 211 Ų | 211 | 52.6 Ų | 52.6 | 80% | 0.796 | 25% | 0.252 | S | S | * | . | H | α-helix | trans | -81.4 | -48.1 | -174.8 | -173.1 | 179.2 | 177.5 | -177.2 | -1 | 113.1 | K911 E912 Q918 | K911-R915 VanDerWaalsContact O-CB 3.25Å; K911-R915 WeakPolarHBondContact O-CB 3.41Å; K911-R915 PolarHBondContact O-N 3.45Å; E912-R915 PolarHBondContact O-N 3.28Å; R915-Q918 PolarHBondContact O-NE2 2.93Å; R915-Q918 VanDerWaalsContact O-NE2 3.07Å |
| 916 | V | 78.5 | Confident | 86.3 | Confident | 94 Ų | 94 | 48 Ų | 48 | 57% | 0.57 | 23% | 0.227 | S | C | * | . | H | α-helix | trans | -82.6 | -46.5 | -172.8 | 179.7 | 0 | 0 | 0 | 0 | 110.8 | E912 | E912-V916 HydrophobicContact CG-CG2 3.95Å; E912-V916 VanDerWaalsContact O-CB 3.24Å; E912-V916 WeakPolarHBondContact O-CB 3.29Å; E912-V916 WeakPolarHBondContact O-CG2 3.35Å; E912-V916 PolarHBondContact O-N 2.71Å |
| 917 | H | 75.5 | Confident | 86 | Confident | 76 Ų | 76 | 48.7 Ų | 48.7 | 35% | 0.352 | 23% | 0.232 | S | C | . | . | S | Bend | trans | -102.4 | -2.3 | -174.6 | -61.7 | -79.3 | 0 | 0 | 0 | 113.4 | F887 L913 H919 | F887-H917 HydrophobicContact CE2-CB 4.47Å; F887-H917 AromaticContact CE2-ND1 3.43Å; F887-H917 WeakPolarHBondContact CE2-ND1 3.34Å; F887-H917 HydrophobicContact CZ-CB 4.36Å; F887-H917 AromaticContact CZ-ND1 3.54Å; L913-H917 CarbonylContact O-C 3.56Å; L913-H917 WeakPolarHBondContact O-CA 3.31Å; L913-H917 WeakPolarHBondContact O-CB 3.22Å; L913-H917 PolarHBondContact O-N 2.92Å; L913-H917 VanDerWaalsContact O-N 3.11Å; H917-H919 WeakPolarHBondContact CB-CD2 3.41Å; H917-H919 PolarHBondContact O-N 2.95Å |
| 918 | Q | 79.9 | Confident | 85.4 | Confident | 142 Ų | 142 | 51.1 Ų | 51.1 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | trans | 58.7 | 27.4 | 179.4 | -60.5 | -70.7 | -49.5 | 0 | 0 | 113.8 | L913 Q914 R915 | L913-Q918 PolarHBondContact O-N 3.4Å; L913-Q918 VanDerWaalsContact O-N 3.13Å; Q914-Q918 VanDerWaalsContact O-CA 3.24Å; Q914-Q918 WeakPolarHBondContact O-CA 3.42Å; Q914-Q918 PolarHBondContact O-N 2.97Å; R915-Q918 PolarHBondContact O-NE2 2.93Å; R915-Q918 VanDerWaalsContact O-NE2 3.07Å | ||
| 919 | H | 84.2 | Confident | 84.9 | Confident | 10 Ų | 10 | 54.5 Ų | 54.5 | 5% | 0.046 | 26% | 0.261 | C | S | . | . | trans | -67.3 | 145.6 | 172.6 | -67.9 | -71.1 | 0 | 0 | 0 | 111.2 | L881 F887 L913 Q914 H917 F921 | L881-H919 HydrophobicContact CD1-CB 4.47Å; F887-H919 PolarHBondContact O-CE1 3.45Å; F887-H919 PolarHBondContact O-ND1 2.86Å; L913-H919 PolarHBondContact O-N 3.08Å; Q914-H919 WeakPolarHBondContact CA-O 3.27Å; Q914-H919 WeakPolarHBondContact CG-O 3.24Å; H917-H919 WeakPolarHBondContact CB-CD2 3.41Å; H917-H919 PolarHBondContact O-N 2.95Å; H919-F921 HydrophobicContact CB-CE2 4.08Å | ||
| 920 | R | 83.6 | Confident | 84.4 | Confident | 45 Ų | 45 | 51.5 Ų | 51.5 | 17% | 0.17 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113 | 131.5 | 179.4 | -61.2 | -178 | -61.5 | 178.4 | 6.1 | 111.3 | S697 D890 A891 D939 | S697-R920 VanDerWaalsContact C-NH1 3.35Å; S697-R920 PolarHBondContact O-NH1 2.74Å; S697-R920 PolarHBondContact OG-NH1 3.17Å; S697-R920 PolarHBondContact OG-NH2 2.71Å; D890-R920 IonicContact OD1-CZ 2.82Å; D890-R920 IonicContact OD1-NE 3.85Å; D890-R920 PolarHBondContact OD1-NE 3.14Å; D890-R920 IonicContact OD1-NH2 3.96Å; D890-R920 PolarHBondContact OD1-NH2 2.96Å; D890-R920 IonicContact OD2-CZ 2.88Å; D890-R920 IonicContact OD2-NH2 2.83Å; D890-R920 PolarHBondContact OD2-NH2 3.34Å; A891-R920 PolarHBondContact N-O 3.28Å; R920-D939 WeakPolarHBondContact CA-OD2 2.85Å |
| 921 | F | 89.9 | Confident | 84.1 | Confident | 0 Ų | 0 | 56.2 Ų | 56.2 | 0% | 0 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.8 | 116.9 | 176.3 | -70.4 | -99.3 | 0 | 0 | 0 | 109.2 | F874 I877 L881 A891 V910 Q914 H919 F938 D939 H940 | F874-F921 HydrophobicContact CD1-CD1 4.3Å; F874-F921 HydrophobicContact CD1-CE1 4.01Å; F874-F921 AromaticContact CE1-CD1 3.72Å; F874-F921 HydrophobicContact CE1-CD1 3.72Å; F874-F921 AromaticContact CE1-CE1 3.89Å; F874-F921 HydrophobicContact CE1-CE1 3.89Å; I877-F921 HydrophobicContact CG2-CE1 3.87Å; I877-F921 HydrophobicContact CG2-CZ 4.33Å; L881-F921 HydrophobicContact CD1-CZ 4Å; A891-F921 HydrophobicContact CB-CD1 3.69Å; A891-F921 HydrophobicContact CB-CE1 3.83Å; A891-F921 HydrophobicContact CB-CG 4.25Å; A891-F921 HydrophobicContact CB-CZ 4.48Å; A891-F921 CarbonylContact O-C 3.59Å; A891-F921 WeakPolarHBondContact O-CA 3.37Å; V910-F921 HydrophobicContact CG1-CD1 4.3Å; V910-F921 HydrophobicContact CG1-CD2 3.88Å; V910-F921 HydrophobicContact CG1-CE1 4.2Å; V910-F921 HydrophobicContact CG1-CE2 3.8Å; V910-F921 HydrophobicContact CG1-CG 4.14Å; V910-F921 HydrophobicContact CG1-CZ 3.97Å; V910-F921 HydrophobicContact CG2-CE1 4.45Å; V910-F921 HydrophobicContact CG2-CZ 4.37Å; Q914-F921 HydrophobicContact CG-CD2 3.74Å; Q914-F921 HydrophobicContact CG-CE2 4.12Å; H919-F921 HydrophobicContact CB-CE2 4.08Å; F921-F938 HydrophobicContact CB-CD1 3.81Å; F921-F938 HydrophobicContact CB-CE1 4.43Å; F921-F938 CarbonylContact O-C 3.58Å; F921-F938 WeakPolarHBondContact O-CB 3.45Å; F921-D939 PolarHBondContact N-OD2 3.03Å; F921-D939 PolarHBondContact O-N 3.33Å; F921-H940 PolarHBondContact O-N 3.11Å |
| 922 | H | 91.4 | Very high | 83.6 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104 | 130.9 | 176.8 | -60.2 | -91.4 | 0 | 0 | 0 | 110.2 | L694 A891 V892 V893 H940 W942 | L694-H922 HydrophobicContact CD1-CB 4.14Å; A891-H922 PolarHBondContact O-N 3.49Å; V892-H922 CarbonylContact C-O 3.45Å; V892-H922 WeakPolarHBondContact CA-O 3.48Å; V892-H922 HydrophobicContact CG1-CB 4.47Å; V892-H922 HydrophobicContact CG2-CB 4.31Å; V893-H922 PolarHBondContact N-O 3.25Å; H922-H940 CarbonylContact C-O 3.58Å; H922-H940 WeakPolarHBondContact CA-O 3.49Å; H922-H940 AromaticContact CE1-CD2 3.32Å; H922-H940 PolarHBondContact CE1-CD2 3.11Å; H922-H940 AromaticContact CE1-CG 3.9Å; H922-H940 WeakPolarHBondContact ND1-CB 3.37Å; H922-H940 AromaticContact ND1-CD2 3.6Å; H922-H940 AromaticContact ND1-CG 3.76Å; H922-W942 AromaticContact CG-NE1 3.78Å; H922-W942 AromaticContact ND1-CE2 3.98Å; H922-W942 AromaticContact ND1-NE1 3.15Å; H922-W942 PolarHBondContact ND1-NE1 3.25Å; H922-W942 VanDerWaalsContact ND1-NE1 3.15Å |
| 923 | A | 91 | Very high | 83.1 | Confident | 0 Ų | 0 | 53.7 Ų | 53.7 | 0% | 0 | 29% | 0.287 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 123.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.2 | V893 F897 M935 F938 H940 I941 W942 | V893-A923 CarbonylContact O-C 3.49Å; V893-A923 WeakPolarHBondContact O-CA 3.49Å; F897-A923 HydrophobicContact CE1-CB 4.34Å; F897-A923 HydrophobicContact CE2-CB 3.82Å; F897-A923 HydrophobicContact CZ-CB 3.54Å; A923-M935 HydrophobicContact CB-CE 3.98Å; A923-F938 HydrophobicContact CB-CB 4Å; A923-F938 HydrophobicContact CB-CD1 3.74Å; A923-F938 HydrophobicContact CB-CD2 3.66Å; A923-F938 HydrophobicContact CB-CE1 4.07Å; A923-F938 HydrophobicContact CB-CE2 3.98Å; A923-F938 HydrophobicContact CB-CG 3.52Å; A923-F938 HydrophobicContact CB-CZ 4.17Å; A923-H940 PolarHBondContact N-O 2.75Å; A923-I941 HydrophobicContact CB-CG1 4.45Å; A923-W942 PolarHBondContact O-N 3.06Å |
| 924 | V | 91.7 | Very high | 83 | Confident | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 28% | 0.284 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100 | 94.4 | 167.8 | -175.6 | 0 | 0 | 0 | 0 | 108 | L690 F818 V892 V893 I894 S895 M926 W942 | L690-V924 HydrophobicContact CD2-CG1 4.47Å; L690-V924 HydrophobicContact CD2-CG2 4.37Å; F818-V924 HydrophobicContact CE1-CG2 3.85Å; F818-V924 HydrophobicContact CZ-CG2 4.04Å; V892-V924 HydrophobicContact CG1-CG2 3.71Å; V893-V924 PolarHBondContact O-N 2.88Å; I894-V924 HydrophobicContact CB-CB 4.4Å; I894-V924 HydrophobicContact CG1-CB 4.09Å; I894-V924 HydrophobicContact CG1-CG2 4.33Å; I894-V924 HydrophobicContact CG2-CB 4.29Å; I894-V924 HydrophobicContact CG2-CG1 4.34Å; S895-V924 PolarHBondContact N-O 3.07Å; V924-M926 PolarHBondContact O-N 3.28Å; V924-W942 CarbonylContact C-O 3.59Å; V924-W942 WeakPolarHBondContact CA-O 3.42Å; V924-W942 HydrophobicContact CG2-CB 4.46Å |
| 925 | A | 89.8 | Confident | 82.9 | Confident | 2 Ų | 2 | 52.4 Ų | 52.4 | 2% | 0.017 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82.4 | 110.2 | -177.9 | 0 | 0 | 0 | 0 | 0 | 110.3 | S895 F897 S927 M935 W942 R943 F944 | S895-A925 WeakPolarHBondContact O-CA 3.41Å; F897-A925 HydrophobicContact CD2-CB 3.89Å; F897-A925 HydrophobicContact CE2-CB 4.03Å; A925-S927 PolarHBondContact O-N 2.83Å; A925-M935 HydrophobicContact CB-CE 4.14Å; A925-W942 PolarHBondContact N-O 2.86Å; A925-R943 HydrophobicContact CB-CG 4.41Å; A925-F944 PolarHBondContact O-N 3.29Å |
| 926 | M | 87 | Confident | 83 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 28% | 0.281 | C | S | . | . | S | Bend | trans | -81.3 | 3.8 | 175.9 | -65.5 | -62.1 | -152.8 | 0 | 0 | 113 | M807 C814 A815 I894 S895 V924 F944 T946 | M807-M926 HydrophobicContact CE-CB 4.38Å; M807-M926 HydrophobicContact CE-CG 3.94Å; M807-M926 HydrophobicContact SD-CB 4.19Å; M807-M926 HydrophobicContact SD-CG 4.39Å; C814-M926 HydrophobicContact CB-CE 3.58Å; C814-M926 HydrophobicContact CB-SD 4.36Å; A815-M926 HydrophobicContact CB-CE 4.12Å; I894-M926 HydrophobicContact CG2-CE 3.87Å; I894-M926 HydrophobicContact CG2-CG 4.06Å; S895-M926 PolarHBondContact O-N 2.93Å; V924-M926 PolarHBondContact O-N 3.28Å; M926-F944 CarbonylContact C-O 3.41Å; M926-F944 WeakPolarHBondContact CA-O 3.19Å; M926-F944 HydrophobicContact SD-CB 4.09Å; M926-F944 HydrophobicContact SD-CD1 3.76Å; M926-F944 HydrophobicContact SD-CG 4.35Å; M926-T946 HydrophobicContact CB-CG2 4.34Å; M926-T946 PolarHBondContact O-OG1 2.84Å; M926-T946 HydrophobicContact SD-CG2 4.14Å |
| 927 | S | 81.9 | Confident | 83.3 | Confident | 18 Ų | 18 | 48.6 Ų | 48.6 | 13% | 0.126 | 26% | 0.257 | C | S | . | . | S | Bend | trans | -143.2 | 157.4 | 177.5 | 96.3 | 0 | 0 | 0 | 0 | 111.3 | D896 A925 H929 | D896-S927 PolarHBondContact O-OG 3.45Å; A925-S927 PolarHBondContact O-N 2.83Å; S927-H929 VanDerWaalsContact C-N 3.26Å; S927-H929 PolarHBondContact OG-N 2.76Å; S927-H929 VanDerWaalsContact OG-N 3.11Å |
| 928 | A | 75.1 | Confident | 83.9 | Confident | 72 Ų | 72 | 45.6 Ų | 45.6 | 60% | 0.595 | 24% | 0.243 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -78.5 | -8.4 | 171.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||
| 929 | H | 77.6 | Confident | 84.1 | Confident | 147 Ų | 147 | 42.5 Ų | 42.5 | 68% | 0.681 | 23% | 0.231 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -99 | 13 | -168.7 | -59.4 | 98.3 | 0 | 0 | 0 | 114 | I898 S927 K931 | I898-H929 HydrophobicContact CD1-CB 4.17Å; I898-H929 HydrophobicContact CG1-CB 4.37Å; S927-H929 VanDerWaalsContact C-N 3.26Å; S927-H929 PolarHBondContact OG-N 2.76Å; S927-H929 VanDerWaalsContact OG-N 3.11Å; H929-K931 PolarHBondContact O-N 2.85Å |
| 930 | G | 78.4 | Confident | 84.2 | Confident | 18 Ų | 18 | 45.8 Ų | 45.8 | 19% | 0.186 | 25% | 0.246 | C | C | . | . | trans | -58.2 | 130.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | P932 | G930-P932 WeakPolarHBondContact O-CD 3.25Š| ||
| 931 | K | 80.9 | Confident | 84.3 | Confident | 99 Ų | 99 | 47.1 Ų | 47.1 | 43% | 0.43 | 26% | 0.256 | S | S | . | . | trans | -64.3 | 124.4 | -176.4 | -70.7 | -173.7 | -173.4 | 166.8 | 0 | 111.1 | F897 A899 H929 G933 I934 M935 | F897-K931 PolarHBondContact O-N 2.98Å; F897-K931 VanDerWaalsContact O-N 3.14Å; A899-K931 VanDerWaalsContact O-CD 3.3Å; A899-K931 WeakPolarHBondContact O-CD 3.44Å; A899-K931 VanDerWaalsContact O-CE 3.3Å; A899-K931 WeakPolarHBondContact O-CE 3.46Å; A899-K931 PolarHBondContact O-NZ 3.19Å; H929-K931 PolarHBondContact O-N 2.85Å; K931-G933 PolarHBondContact O-N 3.47Å; K931-I934 HydrophobicContact CB-CD1 4.33Å; K931-I934 PolarHBondContact O-N 2.99Å; K931-M935 WeakPolarHBondContact O-CG 3.15Å; K931-M935 PolarHBondContact O-N 2.9Å | ||
| 932 | P | 78.2 | Confident | 84.2 | Confident | 95 Ų | 95 | 49.4 Ų | 49.4 | 62% | 0.617 | 27% | 0.265 | S | S | * | . | H | α-helix | trans | -55.5 | -31.4 | -175.3 | -27.7 | 33.8 | 0 | 0 | 0 | 114.9 | G930 I934 M935 R936 | G930-P932 WeakPolarHBondContact O-CD 3.25Å; P932-I934 PolarHBondContact O-N 2.88Å; P932-M935 PolarHBondContact O-N 2.63Å; P932-R936 WeakPolarHBondContact O-CG 3.45Å; P932-R936 PolarHBondContact O-N 3.43Å |
| 933 | G | 78.1 | Confident | 83.9 | Confident | 55 Ų | 55 | 58.4 Ų | 58.4 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -64 | -36 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | K931 | K931-G933 PolarHBondContact O-N 3.47Å |
| 934 | I | 82.4 | Confident | 83.6 | Confident | 3 Ų | 3 | 58.7 Ų | 58.7 | 2% | 0.015 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -78 | -41.5 | 177.4 | -59.7 | 172.4 | 0 | 0 | 0 | 109.7 | L870 F897 A899 Q900 L902 K931 P932 R936 I937 F938 | L870-I934 HydrophobicContact CD1-CD1 4.27Å; L870-I934 HydrophobicContact CD1-CG2 4.43Å; F897-I934 HydrophobicContact CD1-CG2 4.18Å; A899-I934 HydrophobicContact CB-CD1 4.2Å; Q900-I934 WeakPolarHBondContact O-CD1 3.47Å; L902-I934 HydrophobicContact CD1-CG2 4.2Å; K931-I934 HydrophobicContact CB-CD1 4.33Å; K931-I934 PolarHBondContact O-N 2.99Å; P932-I934 PolarHBondContact O-N 2.88Å; I934-R936 PolarHBondContact O-N 3.27Å; I934-I937 WeakPolarHBondContact O-CB 3.19Å; I934-I937 WeakPolarHBondContact O-CG1 3.29Å; I934-I937 PolarHBondContact O-N 3.42Å; I934-I937 VanDerWaalsContact O-N 3.08Å; I934-F938 HydrophobicContact CG2-CE2 4.22Å |
| 935 | M | 83.8 | Confident | 82.8 | Confident | 14 Ų | 14 | 62.3 Ų | 62.3 | 7% | 0.069 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -59.9 | -30.6 | -177.6 | -61 | -52.8 | -67.8 | 0 | 0 | 113.3 | F897 A923 A925 K931 P932 I937 F938 I941 | F897-M935 HydrophobicContact CB-SD 3.86Å; F897-M935 HydrophobicContact CD1-SD 4.21Å; F897-M935 HydrophobicContact CD2-CE 4.3Å; F897-M935 HydrophobicContact CD2-SD 3.79Å; F897-M935 HydrophobicContact CE2-SD 4.39Å; F897-M935 HydrophobicContact CG-SD 3.68Å; A923-M935 HydrophobicContact CB-CE 3.98Å; A925-M935 HydrophobicContact CB-CE 4.14Å; K931-M935 WeakPolarHBondContact O-CG 3.15Å; K931-M935 PolarHBondContact O-N 2.9Å; P932-M935 PolarHBondContact O-N 2.63Å; M935-I937 PolarHBondContact O-N 2.7Å; M935-F938 PolarHBondContact O-N 3.03Å; M935-I941 HydrophobicContact CB-CD1 3.87Å; M935-I941 HydrophobicContact CE-CB 4.09Å; M935-I941 HydrophobicContact CE-CD1 3.9Å; M935-I941 HydrophobicContact CE-CG1 3.79Å; M935-I941 HydrophobicContact CE-CG2 3.2Å |
| 936 | R | 84.3 | Confident | 82.2 | Confident | 214 Ų | 214 | 63.1 Ų | 63.1 | 81% | 0.808 | 32% | 0.324 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66.3 | -10.8 | 177.6 | -75.1 | 175.7 | -175.7 | -176.4 | 1.4 | 114.9 | P932 I934 | P932-R936 WeakPolarHBondContact O-CG 3.45Å; P932-R936 PolarHBondContact O-N 3.43Å; I934-R936 PolarHBondContact O-N 3.27Å |
| 937 | I | 84.7 | Confident | 81.6 | Confident | 11 Ų | 11 | 64.5 Ų | 64.5 | 6% | 0.056 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -80.2 | -28.8 | 179.7 | -60.7 | 170.5 | 0 | 0 | 0 | 110.7 | F874 L902 T907 V910 Q914 I934 M935 | F874-I937 HydrophobicContact CZ-CG2 4.49Å; L902-I937 HydrophobicContact CB-CD1 4.24Å; L902-I937 HydrophobicContact CD1-CD1 3.45Å; L902-I937 VanDerWaalsContact CD1-CD1 3.45Å; L902-I937 HydrophobicContact CG-CD1 4.47Å; T907-I937 HydrophobicContact CG2-CD1 4.05Å; T907-I937 HydrophobicContact CG2-CG1 4.02Å; V910-I937 HydrophobicContact CB-CG2 4.34Å; V910-I937 HydrophobicContact CG1-CG2 3.73Å; Q914-I937 PolarHBondContact NE2-O 3.49Å; I934-I937 WeakPolarHBondContact O-CB 3.19Å; I934-I937 WeakPolarHBondContact O-CG1 3.29Å; I934-I937 PolarHBondContact O-N 3.42Å; I934-I937 VanDerWaalsContact O-N 3.08Å; M935-I937 PolarHBondContact O-N 2.7Å |
| 938 | F | 87.9 | Confident | 81.2 | Confident | 13 Ų | 13 | 70.9 Ų | 70.9 | 6% | 0.057 | 37% | 0.368 | C | S | . | . | trans | -85 | 141.5 | -177.1 | -62.4 | -87.8 | 0 | 0 | 0 | 111.4 | F874 V893 F897 F921 A923 I934 M935 H940 I941 | F874-F938 HydrophobicContact CE1-CE1 4.45Å; F874-F938 HydrophobicContact CE2-CZ 4.12Å; F874-F938 AromaticContact CZ-CE1 3.81Å; F874-F938 HydrophobicContact CZ-CE1 3.81Å; F874-F938 HydrophobicContact CZ-CE2 4.22Å; F874-F938 AromaticContact CZ-CZ 3.49Å; F874-F938 HydrophobicContact CZ-CZ 3.49Å; F874-F938 VanDerWaalsContact CZ-CZ 3.49Å; V893-F938 HydrophobicContact CB-CE1 3.74Å; V893-F938 HydrophobicContact CB-CZ 3.91Å; V893-F938 HydrophobicContact CG1-CZ 4.3Å; V893-F938 HydrophobicContact CG2-CE1 3.67Å; V893-F938 HydrophobicContact CG2-CZ 4.06Å; F897-F938 HydrophobicContact CD1-CE2 4.36Å; F897-F938 AromaticContact CE1-CE2 3.71Å; F897-F938 HydrophobicContact CE1-CE2 3.71Å; F897-F938 AromaticContact CE1-CZ 3.67Å; F897-F938 HydrophobicContact CE1-CZ 3.67Å; F897-F938 HydrophobicContact CZ-CE2 4.28Å; F897-F938 HydrophobicContact CZ-CZ 4.14Å; F921-F938 HydrophobicContact CB-CD1 3.81Å; F921-F938 HydrophobicContact CB-CE1 4.43Å; F921-F938 CarbonylContact O-C 3.58Å; F921-F938 WeakPolarHBondContact O-CB 3.45Å; A923-F938 HydrophobicContact CB-CB 4Å; A923-F938 HydrophobicContact CB-CD1 3.74Å; A923-F938 HydrophobicContact CB-CD2 3.66Å; A923-F938 HydrophobicContact CB-CE1 4.07Å; A923-F938 HydrophobicContact CB-CE2 3.98Å; A923-F938 HydrophobicContact CB-CG 3.52Å; A923-F938 HydrophobicContact CB-CZ 4.17Å; I934-F938 HydrophobicContact CG2-CE2 4.22Å; M935-F938 PolarHBondContact O-N 3.03Å; F938-H940 VanDerWaalsContact C-N 3.33Å; F938-I941 HydrophobicContact CB-CG1 4.46Å | ||
| 939 | D | 84.2 | Confident | 81.1 | Confident | 76 Ų | 76 | 77.8 Ų | 77.8 | 41% | 0.406 | 38% | 0.378 | S | S | . | . | S | Bend | trans | -69.3 | -36.2 | 174.9 | -55.9 | -76 | 0 | 0 | 0 | 111.2 | Q914 R920 F921 | Q914-D939 VanDerWaalsContact NE2-CG 3.29Å; Q914-D939 PolarHBondContact NE2-OD1 3.21Å; Q914-D939 PolarHBondContact NE2-OD2 2.81Å; R920-D939 WeakPolarHBondContact CA-OD2 2.85Å; F921-D939 PolarHBondContact N-OD2 3.03Å; F921-D939 PolarHBondContact O-N 3.33Å |
| 940 | H | 86 | Confident | 80.6 | Confident | 80 Ų | 80 | 71.4 Ų | 71.4 | 37% | 0.37 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.3 | 134.5 | -176.9 | -60.9 | -70.7 | 0 | 0 | 0 | 111.2 | F921 H922 A923 F938 | F921-H940 PolarHBondContact O-N 3.11Å; H922-H940 CarbonylContact C-O 3.58Å; H922-H940 WeakPolarHBondContact CA-O 3.49Å; H922-H940 AromaticContact CE1-CD2 3.32Å; H922-H940 PolarHBondContact CE1-CD2 3.11Å; H922-H940 AromaticContact CE1-CG 3.9Å; H922-H940 WeakPolarHBondContact ND1-CB 3.37Å; H922-H940 AromaticContact ND1-CD2 3.6Å; H922-H940 AromaticContact ND1-CG 3.76Å; A923-H940 PolarHBondContact N-O 2.75Å; F938-H940 VanDerWaalsContact C-N 3.33Å |
| 941 | I | 86.2 | Confident | 80.4 | Confident | 72 Ų | 72 | 75.8 Ų | 75.8 | 37% | 0.369 | 36% | 0.362 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.1 | 110.8 | 179 | -58.8 | 165.4 | 0 | 0 | 0 | 108.8 | A923 M935 F938 R943 | A923-I941 HydrophobicContact CB-CG1 4.45Å; M935-I941 HydrophobicContact CB-CD1 3.87Å; M935-I941 HydrophobicContact CE-CB 4.09Å; M935-I941 HydrophobicContact CE-CD1 3.9Å; M935-I941 HydrophobicContact CE-CG1 3.79Å; M935-I941 HydrophobicContact CE-CG2 3.2Å; F938-I941 HydrophobicContact CB-CG1 4.46Å; I941-R943 HydrophobicContact CG2-CG 4.12Å |
| 942 | W | 87.4 | Confident | 80.1 | Confident | 49 Ų | 49 | 75.4 Ų | 75.4 | 19% | 0.186 | 36% | 0.364 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -97.7 | 116.5 | 174.5 | -50.3 | 97.2 | 0 | 0 | 0 | 109.1 | L690 Q693 L694 H922 A923 V924 A925 | L690-W942 HydrophobicContact CD1-CB 3.98Å; L690-W942 HydrophobicContact CD2-CB 3.77Å; L690-W942 HydrophobicContact CD2-CD2 4.37Å; L690-W942 HydrophobicContact CD2-CG 4.04Å; L690-W942 HydrophobicContact CG-CB 4.05Å; L690-W942 HydrophobicContact CG-CE3 4.32Å; L690-W942 HydrophobicContact CG-CG 4.5Å; Q693-W942 HydrophobicContact CB-CH2 3.8Å; Q693-W942 HydrophobicContact CB-CZ3 3.7Å; L694-W942 HydrophobicContact CB-CZ2 4.41Å; H922-W942 AromaticContact CG-NE1 3.78Å; H922-W942 AromaticContact ND1-CE2 3.98Å; H922-W942 AromaticContact ND1-NE1 3.15Å; H922-W942 PolarHBondContact ND1-NE1 3.25Å; H922-W942 VanDerWaalsContact ND1-NE1 3.15Å; A923-W942 PolarHBondContact O-N 3.06Å; V924-W942 CarbonylContact C-O 3.59Å; V924-W942 WeakPolarHBondContact CA-O 3.42Å; V924-W942 HydrophobicContact CG2-CB 4.46Å; A925-W942 PolarHBondContact N-O 2.86Å |
| 943 | R | 85.4 | Confident | 79.8 | Confident | 188 Ų | 188 | 76 Ų | 76 | 71% | 0.709 | 36% | 0.361 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 126 | -179.9 | -65 | -176.3 | 178.6 | -175.1 | -1.5 | 110.1 | A925 I941 | A925-R943 HydrophobicContact CB-CG 4.41Å; I941-R943 HydrophobicContact CG2-CG 4.12Å |
| 944 | F | 84.4 | Confident | 79.5 | Confident | 6 Ų | 6 | 74.3 Ų | 74.3 | 3% | 0.026 | 34% | 0.338 | C | S | . | . | trans | -122.8 | 94.2 | 171.5 | -172.1 | -100.9 | 0 | 0 | 0 | 108.8 | E686 L687 L690 C814 A925 M926 T946 R954 | E686-F944 HydrophobicContact CB-CE2 4.1Å; L687-F944 HydrophobicContact CB-CE2 3.96Å; L687-F944 HydrophobicContact CB-CZ 4.09Å; L687-F944 HydrophobicContact CD1-CD1 4.26Å; L687-F944 HydrophobicContact CD1-CD2 4.08Å; L687-F944 HydrophobicContact CD1-CE1 4.17Å; L687-F944 HydrophobicContact CD1-CE2 4Å; L687-F944 HydrophobicContact CD1-CG 4.2Å; L687-F944 HydrophobicContact CD1-CZ 4.02Å; L690-F944 HydrophobicContact CD1-CB 4.2Å; C814-F944 HydrophobicContact CB-CE1 4.12Å; A925-F944 PolarHBondContact O-N 3.29Å; M926-F944 CarbonylContact C-O 3.41Å; M926-F944 WeakPolarHBondContact CA-O 3.19Å; M926-F944 HydrophobicContact SD-CB 4.09Å; M926-F944 HydrophobicContact SD-CD1 3.76Å; M926-F944 HydrophobicContact SD-CG 4.35Å; F944-T946 HydrophobicContact CD1-CG2 3.73Å; F944-T946 HydrophobicContact CE1-CG2 4.03Å; F944-T946 PolarHBondContact O-N 2.97Å; F944-T946 VanDerWaalsContact O-N 3.17Å; F944-R954 VanDerWaalsContact CE1-NH1 3.32Å | ||
| 945 | D | 75.8 | Confident | 78.8 | Confident | 77 Ų | 77 | 83.2 Ų | 83.2 | 41% | 0.412 | 37% | 0.371 | S | S | . | . | trans | -68.1 | 112.7 | -176.6 | -179.4 | 7.2 | 0 | 0 | 0 | 111 | G947 S950 R954 | D945-G947 PolarHBondContact OD1-N 3.35Å; D945-S950 PolarHBondContact O-OG 3.06Å; D945-S950 WeakPolarHBondContact OD2-CB 3.01Å; D945-R954 VanDerWaalsContact O-CZ 3.23Å; D945-R954 PolarHBondContact O-NH1 3.21Å; D945-R954 VanDerWaalsContact O-NH1 3.15Å; D945-R954 PolarHBondContact O-NH2 2.87Å | ||
| 946 | T | 77.1 | Confident | 78.1 | Confident | 18 Ų | 18 | 93 Ų | 93 | 11% | 0.11 | 41% | 0.407 | C | S | . | . | trans | -95.1 | 8 | 178.5 | 62.8 | 0 | 0 | 0 | 0 | 113.9 | F810 N811 M926 F944 R951 | F810-T946 HydrophobicContact CD1-CG2 4.33Å; F810-T946 HydrophobicContact CE1-CG2 4.41Å; N811-T946 WeakPolarHBondContact OD1-CB 3.23Å; N811-T946 WeakPolarHBondContact OD1-CG2 3.39Å; N811-T946 PolarHBondContact OD1-OG1 3.24Å; M926-T946 HydrophobicContact CB-CG2 4.34Å; M926-T946 PolarHBondContact O-OG1 2.84Å; M926-T946 HydrophobicContact SD-CG2 4.14Å; F944-T946 HydrophobicContact CD1-CG2 3.73Å; F944-T946 HydrophobicContact CE1-CG2 4.03Å; F944-T946 PolarHBondContact O-N 2.97Å; F944-T946 VanDerWaalsContact O-N 3.17Å; T946-R951 WeakPolarHBondContact O-CD 3.35Å | ||
| 947 | G | 74.6 | Confident | 77.1 | Confident | 30 Ų | 30 | 92.7 Ų | 92.7 | 31% | 0.309 | 41% | 0.406 | S | S | . | . | trans | -56.4 | 152 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | D945 R949 S950 R951 | D945-G947 PolarHBondContact OD1-N 3.35Å; G947-R949 VanDerWaalsContact C-N 3.25Å; G947-R949 PolarHBondContact O-N 2.82Å; G947-S950 PolarHBondContact N-OG 3.24Å; G947-S950 PolarHBondContact O-N 3.13Å; G947-S950 PolarHBondContact O-OG 3.37Å; G947-R951 WeakPolarHBondContact O-CG 3.29Å; G947-R951 PolarHBondContact O-N 3.11Å | ||
| 948 | M | 73.3 | Confident | 75.7 | Confident | 152 Ų | 152 | 99.3 Ų | 99.3 | 75% | 0.749 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -58 | -37.1 | -177.3 | -166.5 | -173.9 | -68.2 | 0 | 0 | 112.8 | L952 | M948-L952 HydrophobicContact CG-CD1 4.38Å; M948-L952 WeakPolarHBondContact O-CG 3.5Å; M948-L952 PolarHBondContact O-N 3.18Å |
| 949 | R | 72 | Confident | 75.1 | Confident | 216 Ų | 216 | 103.7 Ų | 103.7 | 82% | 0.815 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -65.4 | -46.7 | 176.4 | -78.6 | -174.5 | 177.1 | -179.1 | -0.6 | 112.7 | G947 R951 L952 L953 | G947-R949 VanDerWaalsContact C-N 3.25Å; G947-R949 PolarHBondContact O-N 2.82Å; R949-R951 VanDerWaalsContact C-N 3.34Å; R949-L952 PolarHBondContact O-N 3.43Å; R949-L953 WeakPolarHBondContact O-CB 3.36Å; R949-L953 WeakPolarHBondContact O-CG 3.36Å; R949-L953 PolarHBondContact O-N 3.22Å |
| 950 | S | 67.8 | Low | 74.6 | Confident | 14 Ų | 14 | 105.1 Ų | 105.1 | 10% | 0.098 | 45% | 0.452 | C | S | . | . | H | α-helix | trans | -66.5 | -38.1 | 178.7 | 63.5 | 0 | 0 | 0 | 0 | 111.1 | D945 G947 L953 R954 | D945-S950 PolarHBondContact O-OG 3.06Å; D945-S950 WeakPolarHBondContact OD2-CB 3.01Å; G947-S950 PolarHBondContact N-OG 3.24Å; G947-S950 PolarHBondContact O-N 3.13Å; G947-S950 PolarHBondContact O-OG 3.37Å; S950-L953 PolarHBondContact O-N 2.79Å; S950-R954 WeakPolarHBondContact O-CB 3.47Å; S950-R954 WeakPolarHBondContact O-CG 3.44Å; S950-R954 PolarHBondContact O-N 2.7Å |
| 951 | R | 73.6 | Confident | 74 | Confident | 109 Ų | 109 | 106.5 Ų | 106.5 | 41% | 0.411 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -60 | -46.2 | 173.5 | -70.7 | 178.2 | 70.7 | -171.6 | 1.2 | 112.3 | F810 T946 G947 R949 R954 R955 | F810-R951 HydrophobicContact CD1-CG 4.26Å; F810-R951 HydrophobicContact CE1-CG 3.76Å; F810-R951 HydrophobicContact CZ-CG 4.18Å; T946-R951 WeakPolarHBondContact O-CD 3.35Å; G947-R951 WeakPolarHBondContact O-CG 3.29Å; G947-R951 PolarHBondContact O-N 3.11Å; R949-R951 VanDerWaalsContact C-N 3.34Å; R951-R954 PolarHBondContact O-N 3.27Å; R951-R955 WeakPolarHBondContact O-CB 3.5Å; R951-R955 PolarHBondContact O-N 3.29Å |
| 952 | L | 74.2 | Confident | 73.3 | Confident | 91 Ų | 91 | 108.5 Ų | 108.5 | 48% | 0.476 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -64.9 | -43.9 | 176.6 | -74.7 | 168.1 | 0 | 0 | 0 | 111.6 | M948 R949 R954 R955 W956 | M948-L952 HydrophobicContact CG-CD1 4.38Å; M948-L952 WeakPolarHBondContact O-CG 3.5Å; M948-L952 PolarHBondContact O-N 3.18Å; R949-L952 PolarHBondContact O-N 3.43Å; L952-R954 PolarHBondContact O-N 2.63Å; L952-R955 PolarHBondContact O-N 2.89Å; L952-W956 WeakPolarHBondContact O-CB 3.29Å; L952-W956 VanDerWaalsContact O-CD1 3.26Å; L952-W956 PolarHBondContact O-N 3.43Å |
| 953 | L | 72.4 | Confident | 72.4 | Confident | 107 Ų | 107 | 112.3 Ų | 112.3 | 56% | 0.56 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -59.8 | -43.1 | 175.3 | -83.2 | 158.6 | 0 | 0 | 0 | 112.5 | R949 S950 R955 W956 R957 | R949-L953 WeakPolarHBondContact O-CB 3.36Å; R949-L953 WeakPolarHBondContact O-CG 3.36Å; R949-L953 PolarHBondContact O-N 3.22Å; S950-L953 PolarHBondContact O-N 2.79Å; L953-R955 VanDerWaalsContact C-N 3.32Å; L953-W956 PolarHBondContact O-N 3.13Å; L953-R957 WeakPolarHBondContact O-CB 3.11Å; L953-R957 WeakPolarHBondContact O-CG 3.32Å; L953-R957 PolarHBondContact O-N 2.98Å |
| 954 | R | 71.7 | Confident | 71.6 | Confident | 20 Ų | 20 | 107.2 Ų | 107.2 | 8% | 0.075 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -65.3 | -35.3 | 174.9 | -74.5 | 179.9 | -166 | 145.8 | 13.1 | 112.5 | E686 F944 D945 S950 R951 L952 R958 | E686-R954 IonicContact OE1-NE 3.62Å; E686-R954 WeakPolarHBondContact OE2-CD 3.48Å; E686-R954 IonicContact OE2-CZ 2.64Å; E686-R954 IonicContact OE2-NE 3.18Å; E686-R954 PolarHBondContact OE2-NE 2.95Å; E686-R954 IonicContact OE2-NH2 3.88Å; F944-R954 VanDerWaalsContact CE1-NH1 3.32Å; D945-R954 VanDerWaalsContact O-CZ 3.23Å; D945-R954 PolarHBondContact O-NH1 3.21Å; D945-R954 VanDerWaalsContact O-NH1 3.15Å; D945-R954 PolarHBondContact O-NH2 2.87Å; S950-R954 WeakPolarHBondContact O-CB 3.47Å; S950-R954 WeakPolarHBondContact O-CG 3.44Å; S950-R954 PolarHBondContact O-N 2.7Å; R951-R954 PolarHBondContact O-N 3.27Å; L952-R954 PolarHBondContact O-N 2.63Å; R954-R958 WeakPolarHBondContact O-CG 3.24Å; R954-R958 PolarHBondContact O-NE 3.19Å |
| 955 | R | 68.8 | Low | 70.6 | Confident | 190 Ų | 190 | 114.4 Ų | 114.4 | 72% | 0.717 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -72.7 | -29.8 | 176.7 | -163.7 | 177.3 | -176.9 | -178.4 | 1.9 | 112.2 | R951 L952 L953 | R951-R955 WeakPolarHBondContact O-CB 3.5Å; R951-R955 PolarHBondContact O-N 3.29Å; L952-R955 PolarHBondContact O-N 2.89Å; L953-R955 VanDerWaalsContact C-N 3.32Å |
| 956 | W | 69.4 | Low | 70.2 | Confident | 220 Ų | 220 | 117.3 Ų | 117.3 | 83% | 0.833 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -82.4 | -26 | 175.8 | -83.4 | 45.4 | 0 | 0 | 0 | 114.2 | L952 L953 R958 | L952-W956 WeakPolarHBondContact O-CB 3.29Å; L952-W956 VanDerWaalsContact O-CD1 3.26Å; L952-W956 PolarHBondContact O-N 3.43Å; L953-W956 PolarHBondContact O-N 3.13Å; W956-R958 VanDerWaalsContact C-N 3.3Å |
| 957 | R | 61.7 | Low | 69.7 | Low | 207 Ų | 207 | 125.6 Ų | 125.6 | 78% | 0.781 | 53% | 0.533 | S | S | * | . | trans | -77.7 | -14.7 | 175.1 | -80.9 | -176.5 | 177.1 | -174.5 | -1.7 | 113.7 | L953 | L953-R957 WeakPolarHBondContact O-CB 3.11Å; L953-R957 WeakPolarHBondContact O-CG 3.32Å; L953-R957 PolarHBondContact O-N 2.98Å | ||
| 958 | R | 56.6 | Low | 69.2 | Low | 151 Ų | 151 | 134.3 Ų | 134.3 | 57% | 0.57 | 55% | 0.553 | S | S | * | * | trans | -87.2 | 0 | 168.3 | -67.2 | 173.1 | -158.6 | -178.2 | 2.3 | 108.7 | E683 Q684 R954 W956 | E683-R958 PolarHBondContact O-NH1 3.35Å; E683-R958 PolarHBondContact O-NH2 3.28Å; Q684-R958 VanDerWaalsContact CD-NH2 3.3Å; R954-R958 WeakPolarHBondContact O-CG 3.24Å; R954-R958 PolarHBondContact O-NE 3.19Å; W956-R958 VanDerWaalsContact C-N 3.3Å |
Retrieved 958 of 958 residues in 718.2 ms
(Link to these results)