| 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 | 70.2 | Confident | 82 | Confident | 55 Ų | 55 | 61.5 Ų | 61.5 | 27% | 0.271 | 31% | 0.308 | S | S | . | . | 0 | 139.2 | 0 | -175.3 | 179.6 | -96.5 | 0 | 0 | 107.3 | L6 Q25 A29 F35 | M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 HydrophobicContact SD-CB 4Å; M1-L6 HydrophobicContact SD-CD1 3.85Å; M1-Q25 HydrophobicContact CE-CG 3.67Å; M1-A29 HydrophobicContact CB-CB 4.24Å; M1-A29 HydrophobicContact CE-CB 3.78Å; M1-A29 HydrophobicContact SD-CB 4.23Å; M1-F35 HydrophobicContact CB-CD2 4.24Å; M1-F35 HydrophobicContact CB-CE2 4.34Å; M1-F35 HydrophobicContact SD-CE2 4.17Å | |||
| 2 | D | 78.4 | Confident | 82.2 | Confident | 82 Ų | 82 | 56.9 Ų | 56.9 | 44% | 0.439 | 29% | 0.288 | S | S | . | . | trans | -74.6 | 152.2 | 176.5 | 59.3 | -40.8 | 0 | 0 | 0 | 111.5 | E4 S5 L6 | D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 2.68Å; D2-S5 VanDerWaalsContact CG-OG 3.24Å; D2-S5 PolarHBondContact O-N 3.04Å; D2-S5 WeakPolarHBondContact OD1-CB 3.35Å; D2-S5 PolarHBondContact OD1-OG 2.9Å; D2-S5 PolarHBondContact OD2-OG 2.98Å; D2-L6 PolarHBondContact O-N 3.19Å | ||
| 3 | P | 78.3 | Confident | 82.3 | Confident | 74 Ų | 74 | 54.8 Ų | 54.8 | 48% | 0.481 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -59.8 | -33.2 | -175.3 | -25.2 | 34.2 | 0 | 0 | 0 | 114.4 | L6 V7 T38 V42 | P3-L6 PolarHBondContact O-N 3.12Å; P3-V7 VanDerWaalsContact O-CG2 3.3Å; P3-V7 WeakPolarHBondContact O-CG2 3.33Å; P3-V7 PolarHBondContact O-N 2.98Å; P3-V7 VanDerWaalsContact O-N 3.08Å; P3-T38 HydrophobicContact CB-CG2 4.47Å; P3-T38 HydrophobicContact CG-CG2 4.05Å; P3-V42 HydrophobicContact CB-CG2 4.15Å |
| 4 | E | 81.4 | Confident | 82.3 | Confident | 153 Ų | 153 | 57.4 Ų | 57.4 | 72% | 0.715 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -70.4 | -47.8 | 180 | -67.5 | -175.3 | 170.2 | 0 | 0 | 111.3 | D2 L6 V7 E8 | D2-E4 VanDerWaalsContact C-N 3.28Å; D2-E4 PolarHBondContact O-N 2.68Å; E4-L6 VanDerWaalsContact C-N 3.26Å; E4-L6 PolarHBondContact O-N 3.05Å; E4-V7 PolarHBondContact O-N 3.12Å; E4-V7 VanDerWaalsContact O-N 3.14Å; E4-E8 PolarHBondContact O-N 2.68Å |
| 5 | S | 82 | Confident | 82.2 | Confident | 34 Ų | 34 | 57.7 Ų | 57.7 | 24% | 0.238 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -62.4 | -32.8 | 173.9 | -56.2 | 0 | 0 | 0 | 0 | 112.9 | D2 E8 A9 | D2-S5 VanDerWaalsContact CG-OG 3.24Å; D2-S5 PolarHBondContact O-N 3.04Å; D2-S5 WeakPolarHBondContact OD1-CB 3.35Å; D2-S5 PolarHBondContact OD1-OG 2.9Å; D2-S5 PolarHBondContact OD2-OG 2.98Å; S5-E8 PolarHBondContact O-N 3.29Å; S5-A9 WeakPolarHBondContact O-CB 3.43Å; S5-A9 PolarHBondContact O-N 3.13Å |
| 6 | L | 84.6 | Confident | 82.1 | Confident | 1 Ų | 1 | 61.3 Ų | 61.3 | 1% | 0.005 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.6 | -41.4 | 174.9 | -176 | 62.3 | 0 | 0 | 0 | 111.4 | M1 D2 P3 E4 A9 L10 L26 F35 T38 L39 V42 | M1-L6 HydrophobicContact CG-CB 4.4Å; M1-L6 HydrophobicContact SD-CB 4Å; M1-L6 HydrophobicContact SD-CD1 3.85Å; D2-L6 PolarHBondContact O-N 3.19Å; P3-L6 PolarHBondContact O-N 3.12Å; E4-L6 VanDerWaalsContact C-N 3.26Å; E4-L6 PolarHBondContact O-N 3.05Å; L6-A9 PolarHBondContact O-N 2.99Å; L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 VanDerWaalsContact O-CG 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 2.92Å; L6-L26 HydrophobicContact CD1-CD2 3.53Å; L6-F35 HydrophobicContact CD1-CE2 3.78Å; L6-F35 HydrophobicContact CD1-CZ 3.89Å; L6-T38 HydrophobicContact CD2-CG2 4.24Å; L6-L39 HydrophobicContact CD1-CD1 4.37Å; L6-L39 HydrophobicContact CD2-CB 4.21Å; L6-L39 HydrophobicContact CD2-CD1 4.01Å; L6-L39 HydrophobicContact CG-CD1 4.44Å; L6-V42 HydrophobicContact CD2-CB 4.43Å; L6-V42 HydrophobicContact CD2-CG2 4.16Å |
| 7 | V | 85.4 | Confident | 82 | Confident | 22 Ų | 22 | 66.4 Ų | 66.4 | 13% | 0.133 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -64.8 | -40.9 | 175.5 | 169 | 0 | 0 | 0 | 0 | 111.3 | P3 E4 L10 R11 V42 L48 V52 | P3-V7 VanDerWaalsContact O-CG2 3.3Å; P3-V7 WeakPolarHBondContact O-CG2 3.33Å; P3-V7 PolarHBondContact O-N 2.98Å; P3-V7 VanDerWaalsContact O-N 3.08Å; E4-V7 PolarHBondContact O-N 3.12Å; E4-V7 VanDerWaalsContact O-N 3.14Å; V7-L10 PolarHBondContact O-N 3.32Å; V7-R11 WeakPolarHBondContact O-CG 3.12Å; V7-R11 PolarHBondContact O-N 3.46Å; V7-V42 HydrophobicContact CG2-CG1 3.7Å; V7-L48 HydrophobicContact CG1-CD2 3.88Å; V7-L48 HydrophobicContact CG2-CD1 3.75Å; V7-L48 HydrophobicContact CG2-CD2 3.96Å; V7-V52 HydrophobicContact CG1-CG1 4.36Å |
| 8 | E | 84.6 | Confident | 81.9 | Confident | 143 Ų | 143 | 67.8 Ų | 67.8 | 67% | 0.668 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.4 | -43.4 | 175.5 | -71.7 | -172.7 | 168.6 | 0 | 0 | 112 | E4 S5 R11 G12 | E4-E8 PolarHBondContact O-N 2.68Å; S5-E8 PolarHBondContact O-N 3.29Å; E8-R11 PolarHBondContact O-N 2.49Å; E8-G12 PolarHBondContact O-N 3.18Å |
| 9 | A | 84.6 | Confident | 81.9 | Confident | 3 Ų | 3 | 71.5 Ų | 71.5 | 3% | 0.025 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -61.8 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | S5 L6 R11 G12 T13 A22 L26 | S5-A9 WeakPolarHBondContact O-CB 3.43Å; S5-A9 PolarHBondContact O-N 3.13Å; L6-A9 PolarHBondContact O-N 2.99Å; A9-R11 VanDerWaalsContact C-N 3.27Å; A9-R11 PolarHBondContact O-N 2.92Å; A9-G12 WeakPolarHBondContact O-CA 3.45Å; A9-G12 PolarHBondContact O-N 3.11Å; A9-T13 PolarHBondContact O-N 3.5Å; A9-A22 WeakPolarHBondContact O-CB 3.46Å; A9-L26 HydrophobicContact CB-CD2 3.88Å; A9-L26 HydrophobicContact CB-CG 4.07Å |
| 10 | L | 86.3 | Confident | 81.8 | Confident | 2 Ų | 2 | 74.5 Ų | 74.5 | 1% | 0.01 | 38% | 0.379 | C | S | . | . | H | α-helix | trans | -65.3 | -26.6 | 175.2 | -69.7 | 174.5 | 0 | 0 | 0 | 113.4 | L6 V7 T13 L26 L39 V42 V52 A55 | L6-L10 HydrophobicContact CG-CD1 4.33Å; L6-L10 WeakPolarHBondContact O-CB 3.49Å; L6-L10 VanDerWaalsContact O-CG 3.25Å; L6-L10 WeakPolarHBondContact O-CG 3.31Å; L6-L10 PolarHBondContact O-N 2.92Å; V7-L10 PolarHBondContact O-N 3.32Å; L10-T13 PolarHBondContact O-OG1 3.29Å; L10-L26 HydrophobicContact CD2-CD1 4.24Å; L10-L39 HydrophobicContact CD1-CD1 4.06Å; L10-V42 HydrophobicContact CD1-CG1 4.35Å; L10-V52 HydrophobicContact CB-CG1 3.97Å; L10-A55 HydrophobicContact CD2-CB 4.43Å |
| 11 | R | 86.5 | Confident | 81.8 | Confident | 107 Ų | 107 | 73.9 Ų | 73.9 | 40% | 0.404 | 39% | 0.385 | S | S | . | . | H | α-helix | trans | -73.4 | -39.4 | 169.2 | -75.1 | -179.1 | -172.9 | -85.9 | 1.7 | 111.2 | V7 E8 A9 T13 M14 D49 V52 | V7-R11 WeakPolarHBondContact O-CG 3.12Å; V7-R11 PolarHBondContact O-N 3.46Å; E8-R11 PolarHBondContact O-N 2.49Å; A9-R11 VanDerWaalsContact C-N 3.27Å; A9-R11 PolarHBondContact O-N 2.92Å; R11-T13 VanDerWaalsContact C-N 3.31Å; R11-T13 PolarHBondContact O-N 2.55Å; R11-M14 HydrophobicContact CG-CE 4.4Å; R11-M14 PolarHBondContact O-N 3.46Å; R11-M14 VanDerWaalsContact O-N 3.16Å; R11-D49 IonicContact CZ-OD2 3.69Å; R11-D49 IonicContact NH1-OD2 2.89Å; R11-D49 PolarHBondContact NH1-OD2 2.99Å; R11-D49 IonicContact NH2-OD2 2.7Å; R11-D49 PolarHBondContact NH2-OD2 3.05Å; R11-V52 HydrophobicContact CG-CG1 4.4Å; R11-V52 HydrophobicContact CG-CG2 3.63Å |
| 12 | G | 83.6 | Confident | 82.4 | Confident | 7 Ų | 7 | 71.5 Ų | 71.5 | 7% | 0.072 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -63.1 | -31.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 113.8 | E8 A9 M14 D15 L18 R19 | E8-G12 PolarHBondContact O-N 3.18Å; A9-G12 WeakPolarHBondContact O-CA 3.45Å; A9-G12 PolarHBondContact O-N 3.11Å; G12-M14 PolarHBondContact O-N 3.09Å; G12-D15 PolarHBondContact O-N 3.15Å; G12-L18 CarbonylContact O-C 3.55Å; G12-R19 WeakPolarHBondContact O-CA 3.33Å; G12-R19 PolarHBondContact O-N 3.08Å |
| 13 | T | 84.4 | Confident | 82.6 | Confident | 29 Ų | 29 | 71.1 Ų | 71.1 | 18% | 0.178 | 37% | 0.369 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.5 | -17.9 | 175.4 | 58.1 | 0 | 0 | 0 | 0 | 113.6 | A9 L10 R11 A22 E23 L26 | A9-T13 PolarHBondContact O-N 3.5Å; L10-T13 PolarHBondContact O-OG1 3.29Å; R11-T13 VanDerWaalsContact C-N 3.31Å; R11-T13 PolarHBondContact O-N 2.55Å; T13-A22 HydrophobicContact CG2-CB 3.85Å; T13-E23 HydrophobicContact CG2-CG 4.1Å; T13-L26 HydrophobicContact CG2-CD1 3.67Å |
| 14 | M | 81.5 | Confident | 82.8 | Confident | 91 Ų | 91 | 74.7 Ų | 74.7 | 45% | 0.448 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.9 | -10.8 | 176.6 | -56.3 | -170.9 | -66.9 | 0 | 0 | 113.4 | R11 G12 P51 V52 | R11-M14 HydrophobicContact CG-CE 4.4Å; R11-M14 PolarHBondContact O-N 3.46Å; R11-M14 VanDerWaalsContact O-N 3.16Å; G12-M14 PolarHBondContact O-N 3.09Å; M14-P51 HydrophobicContact CE-CB 4.21Å; M14-P51 HydrophobicContact SD-CB 3.68Å; M14-V52 HydrophobicContact CE-CG2 3.75Å |
| 15 | D | 81.8 | Confident | 82.9 | Confident | 62 Ų | 62 | 71.4 Ų | 71.4 | 33% | 0.332 | 36% | 0.358 | S | S | . | . | S | Bend | trans | -99.8 | 120 | 177.8 | -173.8 | -28.2 | 0 | 0 | 0 | 109.8 | G12 N17 L18 R19 | G12-D15 PolarHBondContact O-N 3.15Å; D15-N17 PolarHBondContact O-N 2.87Å; D15-N17 PolarHBondContact OD1-N 2.94Å; D15-N17 PolarHBondContact OD1-ND2 3.44Å; D15-N17 VanDerWaalsContact OD1-ND2 3.13Å; D15-L18 HydrophobicContact CB-CB 4.22Å; D15-L18 HydrophobicContact CB-CD1 4.35Å; D15-L18 HydrophobicContact CB-CG 4.44Å; D15-L18 PolarHBondContact O-N 2.96Å; D15-R19 WeakPolarHBondContact O-CB 3.26Å; D15-R19 PolarHBondContact O-N 3.05Å |
| 16 | P | 80.1 | Confident | 82.9 | Confident | 116 Ų | 116 | 69.9 Ų | 69.9 | 75% | 0.753 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.6 | -30.7 | 179.8 | -27.4 | 34.3 | 0 | 0 | 0 | 114.5 | ||
| 17 | N | 79.9 | Confident | 82.6 | Confident | 147 Ų | 147 | 73.2 Ų | 73.2 | 79% | 0.786 | 37% | 0.365 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.8 | -20.5 | -177.9 | -55.6 | -69.8 | 0 | 0 | 0 | 113.4 | D15 | D15-N17 PolarHBondContact O-N 2.87Å; D15-N17 PolarHBondContact OD1-N 2.94Å; D15-N17 PolarHBondContact OD1-ND2 3.44Å; D15-N17 VanDerWaalsContact OD1-ND2 3.13Å |
| 18 | L | 80.3 | Confident | 82.3 | Confident | 92 Ų | 92 | 79.3 Ų | 79.3 | 48% | 0.482 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -8.8 | -175.7 | -61 | 173.6 | 0 | 0 | 0 | 112.8 | G12 D15 E20 A21 A22 | G12-L18 CarbonylContact O-C 3.55Å; D15-L18 HydrophobicContact CB-CB 4.22Å; D15-L18 HydrophobicContact CB-CD1 4.35Å; D15-L18 HydrophobicContact CB-CG 4.44Å; D15-L18 PolarHBondContact O-N 2.96Å; L18-E20 PolarHBondContact O-N 3.4Å; L18-A21 PolarHBondContact O-N 3.11Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.45Å |
| 19 | R | 81.4 | Confident | 81.8 | Confident | 138 Ų | 138 | 72.7 Ų | 72.7 | 52% | 0.521 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -55.2 | -54 | -173.5 | -176.9 | 174.2 | 175.7 | -175.5 | -1.4 | 113.6 | G12 D15 A21 A22 E23 | G12-R19 WeakPolarHBondContact O-CA 3.33Å; G12-R19 PolarHBondContact O-N 3.08Å; D15-R19 WeakPolarHBondContact O-CB 3.26Å; D15-R19 PolarHBondContact O-N 3.05Å; R19-A21 VanDerWaalsContact C-N 3.3Å; R19-A21 PolarHBondContact O-N 3.19Å; R19-A22 PolarHBondContact O-N 3.2Å; R19-E23 HydrophobicContact CG-CG 4.37Å; R19-E23 WeakPolarHBondContact CG-OE1 3.46Å; R19-E23 IonicContact CZ-OE1 3.35Å; R19-E23 IonicContact NE-OE1 2.87Å; R19-E23 PolarHBondContact NE-OE1 2.91Å; R19-E23 IonicContact NH2-OE1 2.89Å; R19-E23 WeakPolarHBondContact O-CB 3.5Å; R19-E23 WeakPolarHBondContact O-CG 3.24Å; R19-E23 PolarHBondContact O-N 3.24Å |
| 20 | E | 79.9 | Confident | 81.3 | Confident | 132 Ų | 132 | 74 Ų | 74 | 62% | 0.617 | 37% | 0.368 | S | S | * | . | H | α-helix | trans | -61.6 | -39 | -179.1 | -74.2 | -172.1 | -166.9 | 0 | 0 | 112.8 | L18 R24 | L18-E20 PolarHBondContact O-N 3.4Å; E20-R24 WeakPolarHBondContact O-CB 3.42Å; E20-R24 VanDerWaalsContact O-CG 3.3Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 2.88Å; E20-R24 IonicContact OE2-NH2 2.9Å; E20-R24 PolarHBondContact OE2-NH2 3.38Å |
| 21 | A | 82.3 | Confident | 80.4 | Confident | 61 Ų | 61 | 77.5 Ų | 77.5 | 50% | 0.504 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -68.7 | -42.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L18 R19 Q25 | L18-A21 PolarHBondContact O-N 3.11Å; R19-A21 VanDerWaalsContact C-N 3.3Å; R19-A21 PolarHBondContact O-N 3.19Å; A21-Q25 WeakPolarHBondContact O-CB 3.49Å; A21-Q25 PolarHBondContact O-N 2.89Å |
| 22 | A | 83.2 | Confident | 80 | Confident | 5 Ų | 5 | 76.8 Ų | 76.8 | 4% | 0.041 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -66.8 | -42.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | A9 T13 L18 R19 Q25 L26 | A9-A22 WeakPolarHBondContact O-CB 3.46Å; T13-A22 HydrophobicContact CG2-CB 3.85Å; L18-A22 WeakPolarHBondContact O-CB 3.46Å; L18-A22 PolarHBondContact O-N 3.45Å; R19-A22 PolarHBondContact O-N 3.2Å; A22-Q25 PolarHBondContact O-N 3.28Å; A22-L26 VanDerWaalsContact O-CG 3.31Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 2.88Å |
| 23 | E | 82.6 | Confident | 79.5 | Confident | 74 Ų | 74 | 80.2 Ų | 80.2 | 35% | 0.346 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -64 | -41.5 | 176.4 | -74.5 | 178.6 | -173.5 | 0 | 0 | 111.7 | T13 R19 L26 N27 | T13-E23 HydrophobicContact CG2-CG 4.1Å; R19-E23 HydrophobicContact CG-CG 4.37Å; R19-E23 WeakPolarHBondContact CG-OE1 3.46Å; R19-E23 IonicContact CZ-OE1 3.35Å; R19-E23 IonicContact NE-OE1 2.87Å; R19-E23 PolarHBondContact NE-OE1 2.91Å; R19-E23 IonicContact NH2-OE1 2.89Å; R19-E23 WeakPolarHBondContact O-CB 3.5Å; R19-E23 WeakPolarHBondContact O-CG 3.24Å; R19-E23 PolarHBondContact O-N 3.24Å; E23-L26 PolarHBondContact O-N 3.18Å; E23-N27 WeakPolarHBondContact O-CB 3.32Å; E23-N27 PolarHBondContact O-N 3.03Å; E23-N27 PolarHBondContact O-ND2 3.39Å |
| 24 | R | 81.8 | Confident | 79.4 | Confident | 150 Ų | 150 | 82.9 Ų | 82.9 | 57% | 0.566 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -59.9 | -45.7 | 171.9 | -76.1 | -178.2 | -125.4 | 169.5 | -1 | 111.6 | E20 L26 N27 E28 | E20-R24 WeakPolarHBondContact O-CB 3.42Å; E20-R24 VanDerWaalsContact O-CG 3.3Å; E20-R24 WeakPolarHBondContact O-CG 3.45Å; E20-R24 PolarHBondContact O-N 2.88Å; E20-R24 IonicContact OE2-NH2 2.9Å; E20-R24 PolarHBondContact OE2-NH2 3.38Å; R24-L26 VanDerWaalsContact C-N 3.33Å; R24-L26 PolarHBondContact O-N 3.38Å; R24-N27 PolarHBondContact O-N 3.18Å; R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 2.9Å |
| 25 | Q | 83.3 | Confident | 79.6 | Confident | 84 Ų | 84 | 78.8 Ų | 78.8 | 39% | 0.393 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.2 | -38.9 | 179.1 | -163.5 | -171.7 | -6 | 0 | 0 | 112.5 | M1 A21 A22 A29 | M1-Q25 HydrophobicContact CE-CG 3.67Å; A21-Q25 WeakPolarHBondContact O-CB 3.49Å; A21-Q25 PolarHBondContact O-N 2.89Å; A22-Q25 PolarHBondContact O-N 3.28Å; Q25-A29 WeakPolarHBondContact O-CB 3.16Å; Q25-A29 PolarHBondContact O-N 3.19Å |
| 26 | L | 82 | Confident | 79.8 | Confident | 1 Ų | 1 | 75.9 Ų | 75.9 | 1% | 0.005 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -69.9 | -39.6 | 175.7 | -69.4 | 171.5 | 0 | 0 | 0 | 112 | L6 A9 L10 T13 A22 E23 R24 E28 A29 H30 F35 Y59 | L6-L26 HydrophobicContact CD1-CD2 3.53Å; A9-L26 HydrophobicContact CB-CD2 3.88Å; A9-L26 HydrophobicContact CB-CG 4.07Å; L10-L26 HydrophobicContact CD2-CD1 4.24Å; T13-L26 HydrophobicContact CG2-CD1 3.67Å; A22-L26 VanDerWaalsContact O-CG 3.31Å; A22-L26 WeakPolarHBondContact O-CG 3.29Å; A22-L26 PolarHBondContact O-N 2.88Å; E23-L26 PolarHBondContact O-N 3.18Å; R24-L26 VanDerWaalsContact C-N 3.33Å; R24-L26 PolarHBondContact O-N 3.38Å; L26-E28 VanDerWaalsContact C-N 3.34Å; L26-A29 PolarHBondContact O-N 2.96Å; L26-H30 PolarHBondContact O-N 3.22Å; L26-H30 VanDerWaalsContact O-N 3.09Å; L26-F35 HydrophobicContact CD2-CZ 4.22Å; L26-Y59 HydrophobicContact CB-CE2 3.76Å; L26-Y59 HydrophobicContact CD1-CD2 4.15Å; L26-Y59 HydrophobicContact CD1-CE2 4.12Å; L26-Y59 PolarHBondContact O-OH 2.93Å |
| 27 | N | 78.8 | Confident | 80.1 | Confident | 72 Ų | 72 | 70.5 Ų | 70.5 | 39% | 0.385 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -70.3 | -26.5 | 175.8 | -79.1 | -32.7 | 0 | 0 | 0 | 112.8 | E23 R24 A29 H30 K63 | E23-N27 WeakPolarHBondContact O-CB 3.32Å; E23-N27 PolarHBondContact O-N 3.03Å; E23-N27 PolarHBondContact O-ND2 3.39Å; R24-N27 PolarHBondContact O-N 3.18Å; N27-A29 VanDerWaalsContact C-N 3.34Å; N27-H30 PolarHBondContact O-CE1 2.86Å; N27-H30 PolarHBondContact O-ND1 3.1Å; N27-K63 PolarHBondContact OD1-NZ 3.29Å |
| 28 | E | 78.4 | Confident | 80.5 | Confident | 149 Ų | 149 | 64.9 Ų | 64.9 | 70% | 0.696 | 32% | 0.323 | S | S | * | . | H | α-helix | trans | -74.1 | -29.7 | 170.2 | -73.2 | 175.1 | -173.5 | 0 | 0 | 111.9 | R24 L26 | R24-E28 WeakPolarHBondContact O-CG 3.43Å; R24-E28 PolarHBondContact O-N 2.9Å; L26-E28 VanDerWaalsContact C-N 3.34Å |
| 29 | A | 75.7 | Confident | 80.9 | Confident | 5 Ų | 5 | 60.5 Ų | 60.5 | 4% | 0.041 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -87.5 | -19.8 | -174.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | M1 Q25 L26 N27 T31 Q32 F35 | M1-A29 HydrophobicContact CB-CB 4.24Å; M1-A29 HydrophobicContact CE-CB 3.78Å; M1-A29 HydrophobicContact SD-CB 4.23Å; Q25-A29 WeakPolarHBondContact O-CB 3.16Å; Q25-A29 PolarHBondContact O-N 3.19Å; L26-A29 PolarHBondContact O-N 2.96Å; N27-A29 VanDerWaalsContact C-N 3.34Å; A29-T31 VanDerWaalsContact C-N 3.27Å; A29-T31 PolarHBondContact O-N 3.33Å; A29-Q32 WeakPolarHBondContact O-CB 3.47Å; A29-Q32 WeakPolarHBondContact O-CG 3.44Å; A29-Q32 PolarHBondContact O-N 2.89Å; A29-Q32 VanDerWaalsContact O-N 3.09Å; A29-F35 HydrophobicContact CB-CD2 3.85Å; A29-F35 HydrophobicContact CB-CE2 3.57Å; A29-F35 HydrophobicContact CB-CZ 4.35Å; A29-F35 WeakPolarHBondContact O-CD2 3.47Å; A29-F35 WeakPolarHBondContact O-CG 3.45Å |
| 30 | H | 72.9 | Confident | 81.3 | Confident | 30 Ų | 30 | 54.1 Ų | 54.1 | 14% | 0.139 | 28% | 0.277 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.7 | -22.9 | -171.3 | 79.1 | -58.1 | 0 | 0 | 0 | 115.4 | L26 N27 Q32 F35 | L26-H30 PolarHBondContact O-N 3.22Å; L26-H30 VanDerWaalsContact O-N 3.09Å; N27-H30 PolarHBondContact O-CE1 2.86Å; N27-H30 PolarHBondContact O-ND1 3.1Å; H30-Q32 VanDerWaalsContact C-N 3.27Å; H30-Q32 PolarHBondContact O-N 3.25Å; H30-F35 HydrophobicContact CB-CD1 4.36Å; H30-F35 HydrophobicContact CB-CE1 4.27Å |
| 31 | T | 68.4 | Low | 81.7 | Confident | 75 Ų | 75 | 55.2 Ų | 55.2 | 46% | 0.46 | 28% | 0.275 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -81 | -5.4 | 177.5 | 53.9 | 0 | 0 | 0 | 0 | 113.3 | A29 | A29-T31 VanDerWaalsContact C-N 3.27Å; A29-T31 PolarHBondContact O-N 3.33Å |
| 32 | Q | 77.1 | Confident | 82 | Confident | 93 Ų | 93 | 52.9 Ų | 52.9 | 44% | 0.435 | 25% | 0.254 | S | S | . | . | S | Bend | trans | -77.2 | 132.4 | 179.6 | -62.3 | -178.9 | -1.7 | 0 | 0 | 111.1 | A29 H30 N34 F35 | A29-Q32 WeakPolarHBondContact O-CB 3.47Å; A29-Q32 WeakPolarHBondContact O-CG 3.44Å; A29-Q32 PolarHBondContact O-N 2.89Å; A29-Q32 VanDerWaalsContact O-N 3.09Å; H30-Q32 VanDerWaalsContact C-N 3.27Å; H30-Q32 PolarHBondContact O-N 3.25Å; Q32-N34 PolarHBondContact O-N 3.48Å; Q32-F35 HydrophobicContact CB-CB 4.33Å; Q32-F35 WeakPolarHBondContact O-CB 3.45Å; Q32-F35 PolarHBondContact O-N 3.12Å; Q32-F35 VanDerWaalsContact O-N 3.1Å |
| 33 | V | 73.6 | Confident | 82.2 | Confident | 79 Ų | 79 | 52.7 Ų | 52.7 | 48% | 0.479 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | 136.5 | 172.5 | -171.3 | 0 | 0 | 0 | 0 | 110.2 | F35 P84 E86 | V33-F35 VanDerWaalsContact C-N 3.27Å; V33-F35 PolarHBondContact O-N 3.04Å; V33-P84 HydrophobicContact CG2-CB 4.47Å; V33-P84 HydrophobicContact CG2-CG 4.23Å; V33-E86 WeakPolarHBondContact CG1-OE2 3.35Å |
| 34 | N | 82.3 | Confident | 82.4 | Confident | 85 Ų | 85 | 50.8 Ų | 50.8 | 46% | 0.455 | 24% | 0.244 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.5 | 0.3 | -174.7 | -56.1 | -72.8 | 0 | 0 | 0 | 115.2 | Q32 T38 D87 | Q32-N34 PolarHBondContact O-N 3.48Å; N34-T38 VanDerWaalsContact O-CB 3.27Å; N34-T38 WeakPolarHBondContact O-CB 3.24Å; N34-T38 PolarHBondContact O-N 3.5Å; N34-T38 PolarHBondContact O-OG1 2.95Å; N34-D87 WeakPolarHBondContact CA-OD1 3.34Å; N34-D87 WeakPolarHBondContact CA-OD2 3.31Å; N34-D87 PolarHBondContact N-OD1 3.46Å; N34-D87 PolarHBondContact N-OD2 3Å |
| 35 | F | 85.9 | Confident | 82.7 | Confident | 4 Ų | 4 | 45.4 Ų | 45.4 | 2% | 0.018 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -63.6 | -49.6 | 178.7 | 177.6 | -92.9 | 0 | 0 | 0 | 110.8 | M1 L6 L26 A29 H30 Q32 V33 T38 L39 Y59 | M1-F35 HydrophobicContact CB-CD2 4.24Å; M1-F35 HydrophobicContact CB-CE2 4.34Å; M1-F35 HydrophobicContact SD-CE2 4.17Å; L6-F35 HydrophobicContact CD1-CE2 3.78Å; L6-F35 HydrophobicContact CD1-CZ 3.89Å; L26-F35 HydrophobicContact CD2-CZ 4.22Å; A29-F35 HydrophobicContact CB-CD2 3.85Å; A29-F35 HydrophobicContact CB-CE2 3.57Å; A29-F35 HydrophobicContact CB-CZ 4.35Å; A29-F35 WeakPolarHBondContact O-CD2 3.47Å; A29-F35 WeakPolarHBondContact O-CG 3.45Å; H30-F35 HydrophobicContact CB-CD1 4.36Å; H30-F35 HydrophobicContact CB-CE1 4.27Å; Q32-F35 HydrophobicContact CB-CB 4.33Å; Q32-F35 WeakPolarHBondContact O-CB 3.45Å; Q32-F35 PolarHBondContact O-N 3.12Å; Q32-F35 VanDerWaalsContact O-N 3.1Å; V33-F35 VanDerWaalsContact C-N 3.27Å; V33-F35 PolarHBondContact O-N 3.04Å; F35-T38 PolarHBondContact O-N 3.26Å; F35-L39 HydrophobicContact CE1-CD2 4.41Å; F35-L39 WeakPolarHBondContact O-CB 3.47Å; F35-L39 PolarHBondContact O-N 3.15Å; F35-Y59 AromaticContact CE1-CE1 3.84Å; F35-Y59 HydrophobicContact CE1-CE1 3.84Å; F35-Y59 HydrophobicContact CZ-CE1 4.16Å |
| 36 | M | 85.2 | Confident | 82.8 | Confident | 2 Ų | 2 | 47.8 Ų | 47.8 | 1% | 0.01 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -68.8 | -38.3 | -177.6 | -62.8 | -62 | -77.7 | 0 | 0 | 111.8 | T38 L39 L40 L60 K63 I64 I83 D87 I91 | M36-T38 VanDerWaalsContact C-N 3.33Å; M36-T38 PolarHBondContact O-N 2.88Å; M36-L39 PolarHBondContact O-N 2.9Å; M36-L39 HydrophobicContact SD-CD2 4.4Å; M36-L40 PolarHBondContact O-N 3.36Å; M36-L60 HydrophobicContact CE-CD1 3.46Å; M36-L60 VanDerWaalsContact CE-CD1 3.46Å; M36-K63 HydrophobicContact CE-CB 3.53Å; M36-K63 HydrophobicContact CE-CG 4.46Å; M36-K63 HydrophobicContact SD-CB 4.17Å; M36-I64 HydrophobicContact CE-CG1 4.4Å; M36-I83 HydrophobicContact CE-CD1 4.03Å; M36-I83 HydrophobicContact CG-CG2 4.13Å; M36-D87 HydrophobicContact CB-CB 4.08Å; M36-I91 HydrophobicContact CB-CD1 4.04Å |
| 37 | S | 88.1 | Confident | 82.9 | Confident | 3 Ų | 3 | 56.5 Ų | 56.5 | 2% | 0.021 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -59.9 | -42.2 | 170.7 | -64.5 | 0 | 0 | 0 | 0 | 112.6 | R41 D87 F90 | S37-R41 WeakPolarHBondContact O-CG 3.47Å; S37-R41 PolarHBondContact O-N 2.83Å; S37-R41 VanDerWaalsContact O-N 3.16Å; S37-D87 WeakPolarHBondContact CB-OD1 3.2Å; S37-D87 PolarHBondContact N-OD1 2.89Å; S37-D87 PolarHBondContact OG-OD1 3.44Å; S37-F90 VanDerWaalsContact CB-CD1 3.43Å; S37-F90 VanDerWaalsContact OG-CB 3.28Å; S37-F90 WeakPolarHBondContact OG-CB 3.43Å; S37-F90 VanDerWaalsContact OG-CD1 3.23Å; S37-F90 WeakPolarHBondContact OG-CD1 3.4Å; S37-F90 VanDerWaalsContact OG-CG 3.3Å; S37-F90 WeakPolarHBondContact OG-CG 3.27Å |
| 38 | T | 87.1 | Confident | 83.3 | Confident | 28 Ų | 28 | 54.7 Ų | 54.7 | 17% | 0.172 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -67.6 | -41.1 | 178.2 | -58 | 0 | 0 | 0 | 0 | 110.9 | P3 L6 N34 F35 M36 L40 R41 V42 | P3-T38 HydrophobicContact CB-CG2 4.47Å; P3-T38 HydrophobicContact CG-CG2 4.05Å; L6-T38 HydrophobicContact CD2-CG2 4.24Å; N34-T38 VanDerWaalsContact O-CB 3.27Å; N34-T38 WeakPolarHBondContact O-CB 3.24Å; N34-T38 PolarHBondContact O-N 3.5Å; N34-T38 PolarHBondContact O-OG1 2.95Å; F35-T38 PolarHBondContact O-N 3.26Å; M36-T38 VanDerWaalsContact C-N 3.33Å; M36-T38 PolarHBondContact O-N 2.88Å; T38-L40 PolarHBondContact O-N 2.89Å; T38-R41 PolarHBondContact O-N 2.91Å; T38-V42 HydrophobicContact CG2-CG2 4.32Å; T38-V42 WeakPolarHBondContact O-CB 3.46Å; T38-V42 WeakPolarHBondContact O-CG2 3.49Å; T38-V42 PolarHBondContact O-N 2.89Å |
| 39 | L | 88.8 | Confident | 83.7 | Confident | 0 Ų | 0 | 51.7 Ų | 51.7 | 0% | 0 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -60.7 | -43.5 | 177 | -178.6 | 64.4 | 0 | 0 | 0 | 112.2 | L6 L10 F35 M36 V42 T43 Y59 L60 | L6-L39 HydrophobicContact CD1-CD1 4.37Å; L6-L39 HydrophobicContact CD2-CB 4.21Å; L6-L39 HydrophobicContact CD2-CD1 4.01Å; L6-L39 HydrophobicContact CG-CD1 4.44Å; L10-L39 HydrophobicContact CD1-CD1 4.06Å; F35-L39 HydrophobicContact CE1-CD2 4.41Å; F35-L39 WeakPolarHBondContact O-CB 3.47Å; F35-L39 PolarHBondContact O-N 3.15Å; M36-L39 PolarHBondContact O-N 2.9Å; M36-L39 HydrophobicContact SD-CD2 4.4Å; L39-V42 PolarHBondContact O-N 3Å; L39-T43 VanDerWaalsContact O-CB 3.31Å; L39-T43 WeakPolarHBondContact O-CB 3.26Å; L39-T43 PolarHBondContact O-N 3.16Å; L39-T43 PolarHBondContact O-OG1 3.21Å; L39-Y59 HydrophobicContact CD2-CD1 3.67Å; L39-Y59 HydrophobicContact CD2-CE1 4.44Å; L39-L60 HydrophobicContact CD2-CB 3.77Å; L39-L60 HydrophobicContact CD2-CD1 4.28Å; L39-L60 HydrophobicContact CG-CB 4.32Å |
| 40 | L | 89.7 | Confident | 84.2 | Confident | 5 Ų | 5 | 54.7 Ų | 54.7 | 3% | 0.026 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -62 | -45.2 | 174.7 | -179.2 | 60.4 | 0 | 0 | 0 | 111.2 | M36 T38 V42 T43 M44 L60 F90 I91 N94 A98 L110 | M36-L40 PolarHBondContact O-N 3.36Å; T38-L40 PolarHBondContact O-N 2.89Å; L40-V42 PolarHBondContact O-N 3.43Å; L40-T43 PolarHBondContact O-N 3.08Å; L40-M44 HydrophobicContact CD1-CG 4.14Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 VanDerWaalsContact O-CG 3.25Å; L40-M44 WeakPolarHBondContact O-CG 3.48Å; L40-M44 PolarHBondContact O-N 2.77Å; L40-L60 HydrophobicContact CB-CD2 4.33Å; L40-L60 HydrophobicContact CD1-CD2 3.86Å; L40-F90 HydrophobicContact CD2-CE1 4.26Å; L40-I91 HydrophobicContact CD2-CG1 4.33Å; L40-N94 HydrophobicContact CD2-CB 4.22Å; L40-A98 HydrophobicContact CD1-CB 4.26Å; L40-L110 HydrophobicContact CD1-CD2 4.19Å |
| 41 | R | 88.9 | Confident | 84.9 | Confident | 155 Ų | 155 | 56.6 Ų | 56.6 | 59% | 0.585 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -61.2 | -42.7 | 177.4 | -70.5 | 176.1 | -170.8 | -177.2 | 4 | 112.8 | S37 T38 M44 S45 F90 | S37-R41 WeakPolarHBondContact O-CG 3.47Å; S37-R41 PolarHBondContact O-N 2.83Å; S37-R41 VanDerWaalsContact O-N 3.16Å; T38-R41 PolarHBondContact O-N 2.91Å; R41-M44 PolarHBondContact O-N 3.12Å; R41-S45 PolarHBondContact O-N 3.41Å; R41-F90 HydrophobicContact CG-CE1 4.28Å; R41-F90 HydrophobicContact CG-CZ 4.07Å; R41-F90 VanDerWaalsContact NE-CZ 3.25Å |
| 42 | V | 87.7 | Confident | 85.8 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 7% | 0.073 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -63.3 | -47.5 | 177.4 | 166.3 | 0 | 0 | 0 | 0 | 110 | P3 L6 V7 L10 T38 L39 L40 M44 S45 L48 | P3-V42 HydrophobicContact CB-CG2 4.15Å; L6-V42 HydrophobicContact CD2-CB 4.43Å; L6-V42 HydrophobicContact CD2-CG2 4.16Å; V7-V42 HydrophobicContact CG2-CG1 3.7Å; L10-V42 HydrophobicContact CD1-CG1 4.35Å; T38-V42 HydrophobicContact CG2-CG2 4.32Å; T38-V42 WeakPolarHBondContact O-CB 3.46Å; T38-V42 WeakPolarHBondContact O-CG2 3.49Å; T38-V42 PolarHBondContact O-N 2.89Å; L39-V42 PolarHBondContact O-N 3Å; L40-V42 PolarHBondContact O-N 3.43Å; V42-M44 PolarHBondContact O-N 3.12Å; V42-S45 WeakPolarHBondContact O-CB 3.41Å; V42-S45 PolarHBondContact O-N 3.07Å; V42-L48 HydrophobicContact CG1-CD1 3.59Å; V42-L48 WeakPolarHBondContact O-CD1 3.5Å |
| 43 | T | 87.9 | Confident | 86.5 | Confident | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -58 | -36.2 | 177.5 | -61.6 | 0 | 0 | 0 | 0 | 112.7 | L39 L40 S45 R53 V57 I106 | L39-T43 VanDerWaalsContact O-CB 3.31Å; L39-T43 WeakPolarHBondContact O-CB 3.26Å; L39-T43 PolarHBondContact O-N 3.16Å; L39-T43 PolarHBondContact O-OG1 3.21Å; L40-T43 PolarHBondContact O-N 3.08Å; T43-S45 VanDerWaalsContact C-N 3.34Å; T43-R53 PolarHBondContact O-NE 3.47Å; T43-V57 HydrophobicContact CG2-CB 3.65Å; T43-V57 HydrophobicContact CG2-CG2 4.2Å; T43-I106 HydrophobicContact CG2-CG2 4.18Å |
| 44 | M | 87.4 | Confident | 87.2 | Confident | 35 Ų | 35 | 48.5 Ų | 48.5 | 17% | 0.172 | 25% | 0.245 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -3.9 | 179.2 | -66.8 | -53.8 | -57.6 | 0 | 0 | 114.2 | L40 R41 V42 D46 A98 Q101 S102 L110 | L40-M44 HydrophobicContact CD1-CG 4.14Å; L40-M44 WeakPolarHBondContact O-CB 3.47Å; L40-M44 VanDerWaalsContact O-CG 3.25Å; L40-M44 WeakPolarHBondContact O-CG 3.48Å; L40-M44 PolarHBondContact O-N 2.77Å; R41-M44 PolarHBondContact O-N 3.12Å; V42-M44 PolarHBondContact O-N 3.12Å; M44-D46 PolarHBondContact O-N 2.84Å; M44-A98 HydrophobicContact CE-CB 3.97Å; M44-A98 HydrophobicContact CG-CB 4.06Å; M44-A98 HydrophobicContact SD-CB 3.59Å; M44-A98 VanDerWaalsContact SD-CB 3.59Å; M44-Q101 HydrophobicContact CE-CB 4.12Å; M44-S102 WeakPolarHBondContact CE-OG 3.46Å; M44-S102 PolarHBondContact SD-OG 3.13Å; M44-S102 VanDerWaalsContact SD-OG 3.32Å; M44-L110 HydrophobicContact SD-CD1 4.28Å |
| 45 | S | 88.5 | Confident | 87.4 | Confident | 36 Ų | 36 | 45.3 Ų | 45.3 | 25% | 0.252 | 23% | 0.231 | S | C | . | . | trans | -75.7 | 117.6 | 179.1 | -176.4 | 0 | 0 | 0 | 0 | 111.7 | R41 V42 T43 Q47 L48 R53 | R41-S45 PolarHBondContact O-N 3.41Å; V42-S45 WeakPolarHBondContact O-CB 3.41Å; V42-S45 PolarHBondContact O-N 3.07Å; T43-S45 VanDerWaalsContact C-N 3.34Å; S45-Q47 PolarHBondContact O-N 3.42Å; S45-Q47 PolarHBondContact OG-N 3.25Å; S45-L48 PolarHBondContact O-N 2.99Å; S45-R53 WeakPolarHBondContact O-CD 3.26Å | ||
| 46 | D | 83.5 | Confident | 87.6 | Confident | 134 Ų | 134 | 45.1 Ų | 45.1 | 72% | 0.717 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.1 | -5 | 175 | -67.1 | -35.4 | 0 | 0 | 0 | 114 | M44 L48 R53 | M44-D46 PolarHBondContact O-N 2.84Å; D46-L48 VanDerWaalsContact C-N 3.29Å; D46-R53 IonicContact OD1-CZ 3.97Å; D46-R53 VanDerWaalsContact OD1-CZ 3.3Å; D46-R53 IonicContact OD1-NH1 3.77Å; D46-R53 PolarHBondContact OD1-NH1 3.48Å; D46-R53 IonicContact OD1-NH2 2.77Å; D46-R53 PolarHBondContact OD1-NH2 3.06Å |
| 47 | Q | 85.6 | Confident | 87.9 | Confident | 184 Ų | 184 | 45 Ų | 45 | 86% | 0.86 | 23% | 0.23 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -80.1 | -11.8 | 175.2 | -60.5 | -179 | -2.6 | 0 | 0 | 112.9 | S45 | S45-Q47 PolarHBondContact O-N 3.42Å; S45-Q47 PolarHBondContact OG-N 3.25Å |
| 48 | L | 86.4 | Confident | 87.9 | Confident | 34 Ų | 34 | 47.7 Ų | 47.7 | 18% | 0.178 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -100.8 | 147.5 | -177.8 | -64.1 | 175.4 | 0 | 0 | 0 | 111.8 | V7 V42 S45 D46 R53 | V7-L48 HydrophobicContact CG1-CD2 3.88Å; V7-L48 HydrophobicContact CG2-CD1 3.75Å; V7-L48 HydrophobicContact CG2-CD2 3.96Å; V42-L48 HydrophobicContact CG1-CD1 3.59Å; V42-L48 WeakPolarHBondContact O-CD1 3.5Å; S45-L48 PolarHBondContact O-N 2.99Å; D46-L48 VanDerWaalsContact C-N 3.29Å; L48-R53 HydrophobicContact CB-CG 3.91Å; L48-R53 VanDerWaalsContact O-CD 3.3Å; L48-R53 WeakPolarHBondContact O-CD 3.28Å |
| 49 | D | 86.7 | Confident | 88 | Confident | 86 Ų | 86 | 47.7 Ų | 47.7 | 46% | 0.46 | 24% | 0.24 | S | C | . | . | trans | -61.7 | 141.9 | 176.5 | -53.2 | -47.6 | 0 | 0 | 0 | 110.8 | R11 P51 V52 R53 | R11-D49 IonicContact CZ-OD2 3.69Å; R11-D49 IonicContact NH1-OD2 2.89Å; R11-D49 PolarHBondContact NH1-OD2 2.99Å; R11-D49 IonicContact NH2-OD2 2.7Å; R11-D49 PolarHBondContact NH2-OD2 3.05Å; D49-P51 VanDerWaalsContact C-CD 3.42Å; D49-P51 VanDerWaalsContact C-N 3.34Å; D49-V52 HydrophobicContact CB-CG2 4.42Å; D49-V52 PolarHBondContact O-N 3.37Å; D49-R53 PolarHBondContact O-N 3.3Å; D49-R53 VanDerWaalsContact O-N 3.16Å | ||
| 50 | L | 86.3 | Confident | 88.1 | Confident | 69 Ų | 69 | 47.8 Ų | 47.8 | 36% | 0.361 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -52.8 | -40.5 | -178.2 | -174.5 | 65.1 | 0 | 0 | 0 | 114 | V52 R53 Q54 P103 I106 | L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 3.36Å; L50-R53 PolarHBondContact O-N 2.92Å; L50-Q54 WeakPolarHBondContact O-CB 3.44Å; L50-Q54 PolarHBondContact O-N 3.16Å; L50-P103 HydrophobicContact CD1-CG 3.94Å; L50-I106 HydrophobicContact CD1-CD1 3.98Å; L50-I106 HydrophobicContact CD1-CG1 4.27Å |
| 51 | P | 88.3 | Confident | 88.2 | Confident | 70 Ų | 70 | 49.5 Ų | 49.5 | 46% | 0.455 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -60.8 | -38.8 | 177 | -25.6 | 36.4 | 0 | 0 | 0 | 113.6 | M14 D49 Q54 A55 | M14-P51 HydrophobicContact CE-CB 4.21Å; M14-P51 HydrophobicContact SD-CB 3.68Å; D49-P51 VanDerWaalsContact C-CD 3.42Å; D49-P51 VanDerWaalsContact C-N 3.34Å; P51-Q54 PolarHBondContact O-N 3.46Å; P51-A55 PolarHBondContact O-N 3.05Å |
| 52 | V | 87.6 | Confident | 88.2 | Confident | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.006 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.1 | -41.9 | 178.8 | -176.7 | 0 | 0 | 0 | 0 | 110.5 | V7 L10 R11 M14 D49 L50 Q54 A55 G56 | V7-V52 HydrophobicContact CG1-CG1 4.36Å; L10-V52 HydrophobicContact CB-CG1 3.97Å; R11-V52 HydrophobicContact CG-CG1 4.4Å; R11-V52 HydrophobicContact CG-CG2 3.63Å; M14-V52 HydrophobicContact CE-CG2 3.75Å; D49-V52 HydrophobicContact CB-CG2 4.42Å; D49-V52 PolarHBondContact O-N 3.37Å; L50-V52 VanDerWaalsContact C-N 3.33Å; L50-V52 PolarHBondContact O-N 3.36Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 3.04Å; V52-A55 PolarHBondContact O-N 2.94Å; V52-G56 PolarHBondContact O-N 3.44Å |
| 53 | R | 90.7 | Very high | 88.2 | Confident | 19 Ų | 19 | 45.4 Ų | 45.4 | 7% | 0.072 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -62.4 | -39.2 | 174 | -62.4 | 170.7 | 65.1 | 172 | 7.2 | 111.2 | T43 S45 D46 L48 D49 L50 G56 V57 I106 | T43-R53 PolarHBondContact O-NE 3.47Å; S45-R53 WeakPolarHBondContact O-CD 3.26Å; D46-R53 IonicContact OD1-CZ 3.97Å; D46-R53 VanDerWaalsContact OD1-CZ 3.3Å; D46-R53 IonicContact OD1-NH1 3.77Å; D46-R53 PolarHBondContact OD1-NH1 3.48Å; D46-R53 IonicContact OD1-NH2 2.77Å; D46-R53 PolarHBondContact OD1-NH2 3.06Å; L48-R53 HydrophobicContact CB-CG 3.91Å; L48-R53 VanDerWaalsContact O-CD 3.3Å; L48-R53 WeakPolarHBondContact O-CD 3.28Å; D49-R53 PolarHBondContact O-N 3.3Å; D49-R53 VanDerWaalsContact O-N 3.16Å; L50-R53 PolarHBondContact O-N 2.92Å; R53-G56 PolarHBondContact O-N 3.3Å; R53-V57 PolarHBondContact O-N 3.4Å; R53-I106 HydrophobicContact CB-CD1 3.61Å |
| 54 | Q | 88.9 | Confident | 88.2 | Confident | 56 Ų | 56 | 45.4 Ų | 45.4 | 26% | 0.262 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.1 | -44.1 | 176.8 | -173 | 173.2 | -6.7 | 0 | 0 | 111.9 | L50 P51 V52 G56 V57 I58 | L50-Q54 WeakPolarHBondContact O-CB 3.44Å; L50-Q54 PolarHBondContact O-N 3.16Å; P51-Q54 PolarHBondContact O-N 3.46Å; V52-Q54 VanDerWaalsContact C-N 3.29Å; V52-Q54 PolarHBondContact O-N 3.04Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 3.07Å; Q54-V57 VanDerWaalsContact O-CG1 3.3Å; Q54-V57 WeakPolarHBondContact O-CG1 3.44Å; Q54-V57 PolarHBondContact O-N 3.03Å; Q54-I58 HydrophobicContact CG-CD1 3.9Å; Q54-I58 WeakPolarHBondContact O-CB 3.49Å; Q54-I58 WeakPolarHBondContact O-CD1 3.1Å; Q54-I58 WeakPolarHBondContact O-CG1 3.14Å; Q54-I58 PolarHBondContact O-N 3.41Å |
| 55 | A | 87.3 | Confident | 88.1 | Confident | 19 Ų | 19 | 47 Ų | 47 | 16% | 0.157 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -59.8 | -42.6 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | L10 P51 V52 I58 Y59 | L10-A55 HydrophobicContact CD2-CB 4.43Å; P51-A55 PolarHBondContact O-N 3.05Å; V52-A55 PolarHBondContact O-N 2.94Å; A55-I58 PolarHBondContact O-N 3.39Å; A55-Y59 PolarHBondContact O-N 3.17Å |
| 56 | G | 89.3 | Confident | 87.9 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -61 | -46.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.6 | V52 R53 Q54 Y59 L60 | V52-G56 PolarHBondContact O-N 3.44Å; R53-G56 PolarHBondContact O-N 3.3Å; Q54-G56 VanDerWaalsContact C-N 3.31Å; Q54-G56 PolarHBondContact O-N 3.07Å; G56-Y59 PolarHBondContact O-N 3.02Å; G56-L60 WeakPolarHBondContact O-CB 3.2Å; G56-L60 PolarHBondContact O-N 3.31Å |
| 57 | V | 91.2 | Very high | 87.9 | Confident | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.7 | -33.5 | 179 | 76.3 | 0 | 0 | 0 | 0 | 112.6 | T43 R53 Q54 L60 K61 I106 Q109 L110 | T43-V57 HydrophobicContact CG2-CB 3.65Å; T43-V57 HydrophobicContact CG2-CG2 4.2Å; R53-V57 PolarHBondContact O-N 3.4Å; Q54-V57 VanDerWaalsContact O-CG1 3.3Å; Q54-V57 WeakPolarHBondContact O-CG1 3.44Å; Q54-V57 PolarHBondContact O-N 3.03Å; V57-L60 PolarHBondContact O-N 3.21Å; V57-K61 WeakPolarHBondContact O-CB 3.45Å; V57-K61 PolarHBondContact O-N 3.4Å; V57-I106 HydrophobicContact CB-CG2 4.23Å; V57-I106 HydrophobicContact CG1-CG2 4.31Å; V57-I106 HydrophobicContact CG2-CG2 4.07Å; V57-Q109 HydrophobicContact CB-CB 4.3Å; V57-Q109 HydrophobicContact CG1-CB 3.67Å; V57-Q109 HydrophobicContact CG1-CG 3.8Å; V57-Q109 HydrophobicContact CG2-CB 3.71Å; V57-L110 HydrophobicContact CG2-CD2 3.63Å; V57-L110 HydrophobicContact CG2-CG 3.75Å |
| 58 | I | 88.8 | Confident | 87.8 | Confident | 58 Ų | 58 | 37.4 Ų | 37.4 | 30% | 0.297 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -66 | -44.2 | 175.8 | -70.4 | 166.9 | 0 | 0 | 0 | 109.8 | Q54 A55 K61 N62 Q109 | Q54-I58 HydrophobicContact CG-CD1 3.9Å; Q54-I58 WeakPolarHBondContact O-CB 3.49Å; Q54-I58 WeakPolarHBondContact O-CD1 3.1Å; Q54-I58 WeakPolarHBondContact O-CG1 3.14Å; Q54-I58 PolarHBondContact O-N 3.41Å; A55-I58 PolarHBondContact O-N 3.39Å; I58-K61 WeakPolarHBondContact O-CB 3.35Å; I58-K61 PolarHBondContact O-N 3.43Å; I58-N62 VanDerWaalsContact O-CG 3.26Å; I58-N62 PolarHBondContact O-N 3.12Å; I58-N62 PolarHBondContact O-OD1 2.72Å; I58-Q109 HydrophobicContact CG1-CG 4.26Å |
| 59 | Y | 89.1 | Confident | 87.3 | Confident | 29 Ų | 29 | 37.8 Ų | 37.8 | 11% | 0.114 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -62.2 | -44.7 | 175.1 | -170.1 | -87.5 | 0 | 0 | 0 | 111.6 | L26 F35 L39 A55 G56 K61 N62 K63 | L26-Y59 HydrophobicContact CB-CE2 3.76Å; L26-Y59 HydrophobicContact CD1-CD2 4.15Å; L26-Y59 HydrophobicContact CD1-CE2 4.12Å; L26-Y59 PolarHBondContact O-OH 2.93Å; F35-Y59 AromaticContact CE1-CE1 3.84Å; F35-Y59 HydrophobicContact CE1-CE1 3.84Å; F35-Y59 HydrophobicContact CZ-CE1 4.16Å; L39-Y59 HydrophobicContact CD2-CD1 3.67Å; L39-Y59 HydrophobicContact CD2-CE1 4.44Å; A55-Y59 PolarHBondContact O-N 3.17Å; G56-Y59 PolarHBondContact O-N 3.02Å; Y59-K61 VanDerWaalsContact C-N 3.34Å; Y59-K61 PolarHBondContact O-N 3.25Å; Y59-N62 PolarHBondContact O-N 3.33Å; Y59-K63 HydrophobicContact CD1-CG 4.02Å; Y59-K63 HydrophobicContact CE1-CD 4.38Å; Y59-K63 HydrophobicContact CE1-CG 3.61Å; Y59-K63 VanDerWaalsContact CZ-CE 3.42Å; Y59-K63 WeakPolarHBondContact O-CG 3.23Å; Y59-K63 PolarHBondContact O-N 2.67Å; Y59-K63 WeakPolarHBondContact OH-CE 3.37Å |
| 60 | L | 90.5 | Very high | 86.1 | Confident | 1 Ų | 1 | 37.5 Ų | 37.5 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -55.7 | -48.5 | 175.1 | 176.3 | 62.2 | 0 | 0 | 0 | 111.2 | M36 L39 L40 G56 V57 K63 I64 I91 L110 | M36-L60 HydrophobicContact CE-CD1 3.46Å; M36-L60 VanDerWaalsContact CE-CD1 3.46Å; L39-L60 HydrophobicContact CD2-CB 3.77Å; L39-L60 HydrophobicContact CD2-CD1 4.28Å; L39-L60 HydrophobicContact CG-CB 4.32Å; L40-L60 HydrophobicContact CB-CD2 4.33Å; L40-L60 HydrophobicContact CD1-CD2 3.86Å; G56-L60 WeakPolarHBondContact O-CB 3.2Å; G56-L60 PolarHBondContact O-N 3.31Å; V57-L60 PolarHBondContact O-N 3.21Å; L60-K63 PolarHBondContact O-N 3.35Å; L60-I64 HydrophobicContact CD1-CD1 3.87Å; L60-I64 HydrophobicContact CD1-CG1 4.32Å; L60-I64 HydrophobicContact CG-CD1 3.97Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.39Å; L60-I91 HydrophobicContact CD1-CD1 4.37Å; L60-L110 HydrophobicContact CD2-CD2 4.18Å |
| 61 | K | 91.8 | Very high | 84.3 | Confident | 41 Ų | 41 | 36.6 Ų | 36.6 | 18% | 0.178 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -57 | -53.5 | 177.1 | -179.8 | -164.3 | 68.8 | 179.3 | 0 | 111.3 | V57 I58 Y59 K63 I64 I65 Q109 T112 C113 | V57-K61 WeakPolarHBondContact O-CB 3.45Å; V57-K61 PolarHBondContact O-N 3.4Å; I58-K61 WeakPolarHBondContact O-CB 3.35Å; I58-K61 PolarHBondContact O-N 3.43Å; Y59-K61 VanDerWaalsContact C-N 3.34Å; Y59-K61 PolarHBondContact O-N 3.25Å; K61-K63 PolarHBondContact O-N 2.84Å; K61-I64 PolarHBondContact O-N 3.32Å; K61-I64 VanDerWaalsContact O-N 3.12Å; K61-I65 HydrophobicContact CD-CD1 4.23Å; K61-I65 HydrophobicContact CG-CD1 3.78Å; K61-I65 HydrophobicContact CG-CG1 4.39Å; K61-I65 WeakPolarHBondContact O-CG1 3.47Å; K61-I65 PolarHBondContact O-N 2.96Å; K61-Q109 VanDerWaalsContact CD-OE1 3.3Å; K61-T112 HydrophobicContact CD-CG2 3.97Å; K61-T112 HydrophobicContact CG-CG2 4.14Å; K61-C113 WeakPolarHBondContact CA-SG 3.22Å |
| 62 | N | 88.6 | Confident | 82 | Confident | 67 Ų | 67 | 42.9 Ų | 42.9 | 36% | 0.358 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -58.8 | -40 | -177 | -67 | -4.9 | 0 | 0 | 0 | 111.3 | I58 Y59 I65 Q66 | I58-N62 VanDerWaalsContact O-CG 3.26Å; I58-N62 PolarHBondContact O-N 3.12Å; I58-N62 PolarHBondContact O-OD1 2.72Å; Y59-N62 PolarHBondContact O-N 3.33Å; N62-I65 PolarHBondContact O-N 3.34Å; N62-Q66 WeakPolarHBondContact O-CB 3.5Å; N62-Q66 VanDerWaalsContact O-CG 3.23Å; N62-Q66 WeakPolarHBondContact O-CG 3.21Å; N62-Q66 PolarHBondContact O-N 3.43Å |
| 63 | K | 87.5 | Confident | 79.7 | Confident | 14 Ų | 14 | 48 Ų | 48 | 6% | 0.061 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -70.7 | -35.9 | 177 | -68.1 | -58.7 | -179 | -172.4 | 0 | 113.7 | N27 M36 Y59 L60 K61 H67 | N27-K63 PolarHBondContact OD1-NZ 3.29Å; M36-K63 HydrophobicContact CE-CB 3.53Å; M36-K63 HydrophobicContact CE-CG 4.46Å; M36-K63 HydrophobicContact SD-CB 4.17Å; Y59-K63 HydrophobicContact CD1-CG 4.02Å; Y59-K63 HydrophobicContact CE1-CD 4.38Å; Y59-K63 HydrophobicContact CE1-CG 3.61Å; Y59-K63 VanDerWaalsContact CZ-CE 3.42Å; Y59-K63 WeakPolarHBondContact O-CG 3.23Å; Y59-K63 PolarHBondContact O-N 2.67Å; Y59-K63 WeakPolarHBondContact OH-CE 3.37Å; L60-K63 PolarHBondContact O-N 3.35Å; K61-K63 PolarHBondContact O-N 2.84Å; K63-H67 WeakPolarHBondContact O-CB 3.33Å; K63-H67 PolarHBondContact O-N 3.04Å |
| 64 | I | 88.4 | Confident | 77.4 | Confident | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -64.4 | -44.6 | 172.4 | -70.7 | 170.6 | 0 | 0 | 0 | 110.1 | M36 L60 K61 Q66 W68 I83 C113 H116 I117 | M36-I64 HydrophobicContact CE-CG1 4.4Å; L60-I64 HydrophobicContact CD1-CD1 3.87Å; L60-I64 HydrophobicContact CD1-CG1 4.32Å; L60-I64 HydrophobicContact CG-CD1 3.97Å; L60-I64 WeakPolarHBondContact O-CG1 3.36Å; L60-I64 PolarHBondContact O-N 3.39Å; K61-I64 PolarHBondContact O-N 3.32Å; K61-I64 VanDerWaalsContact O-N 3.12Å; I64-Q66 VanDerWaalsContact C-N 3.31Å; I64-Q66 PolarHBondContact O-N 2.96Å; I64-W68 HydrophobicContact CB-CE3 4.4Å; I64-W68 HydrophobicContact CG1-CE3 3.95Å; I64-W68 HydrophobicContact CG1-CZ3 4.22Å; I64-W68 HydrophobicContact CG2-CB 4.19Å; I64-W68 HydrophobicContact CG2-CD2 4.28Å; I64-W68 HydrophobicContact CG2-CE3 4.02Å; I64-W68 HydrophobicContact CG2-CG 4.37Å; I64-W68 WeakPolarHBondContact O-CB 3.37Å; I64-W68 PolarHBondContact O-N 2.88Å; I64-W68 VanDerWaalsContact O-N 3.17Å; I64-I83 HydrophobicContact CG1-CD1 4.44Å; I64-C113 HydrophobicContact CD1-CB 3.75Å; I64-H116 HydrophobicContact CG2-CB 4.07Å; I64-I117 HydrophobicContact CD1-CD1 4.4Å; I64-I117 HydrophobicContact CG2-CG1 4.11Å |
| 65 | I | 86 | Confident | 74.9 | Confident | 68 Ų | 68 | 52.1 Ų | 52.1 | 35% | 0.349 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -60.9 | -42.3 | 179.1 | -65.3 | 175.4 | 0 | 0 | 0 | 111.1 | K61 N62 T112 | K61-I65 HydrophobicContact CD-CD1 4.23Å; K61-I65 HydrophobicContact CG-CD1 3.78Å; K61-I65 HydrophobicContact CG-CG1 4.39Å; K61-I65 WeakPolarHBondContact O-CG1 3.47Å; K61-I65 PolarHBondContact O-N 2.96Å; N62-I65 PolarHBondContact O-N 3.34Å; I65-T112 HydrophobicContact CD1-CG2 4.23Å |
| 66 | Q | 83.3 | Confident | 72.7 | Confident | 118 Ų | 118 | 58.6 Ų | 58.6 | 55% | 0.551 | 35% | 0.348 | S | S | * | . | H | α-helix | trans | -81 | -33.4 | -174.9 | -70.8 | 171.2 | -7.1 | 0 | 0 | 114.4 | N62 I64 | N62-Q66 WeakPolarHBondContact O-CB 3.5Å; N62-Q66 VanDerWaalsContact O-CG 3.23Å; N62-Q66 WeakPolarHBondContact O-CG 3.21Å; N62-Q66 PolarHBondContact O-N 3.43Å; I64-Q66 VanDerWaalsContact C-N 3.31Å; I64-Q66 PolarHBondContact O-N 2.96Å |
| 67 | H | 83.6 | Confident | 70.3 | Confident | 32 Ų | 32 | 66.3 Ų | 66.3 | 15% | 0.148 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -129.3 | 12.3 | -163.8 | -56.3 | -74 | 0 | 0 | 0 | 114.8 | K63 N81 I83 R88 | K63-H67 WeakPolarHBondContact O-CB 3.33Å; K63-H67 PolarHBondContact O-N 3.04Å; H67-N81 PolarHBondContact ND1-O 3.35Å; H67-I83 HydrophobicContact CB-CD1 4.21Å; H67-I83 HydrophobicContact CB-CG1 3.9Å; H67-I83 PolarHBondContact O-N 3.18Å; H67-R88 PolarHBondContact O-NH2 3.16Å |
| 68 | W | 83.7 | Confident | 67.8 | Low | 3 Ų | 3 | 71.3 Ų | 71.3 | 1% | 0.011 | 42% | 0.417 | C | S | . | . | S | Bend | trans | -85.3 | -31.1 | 176.1 | -160.2 | -84.9 | 0 | 0 | 0 | 113.3 | I64 I83 R88 I91 R92 I117 D121 | I64-W68 HydrophobicContact CB-CE3 4.4Å; I64-W68 HydrophobicContact CG1-CE3 3.95Å; I64-W68 HydrophobicContact CG1-CZ3 4.22Å; I64-W68 HydrophobicContact CG2-CB 4.19Å; I64-W68 HydrophobicContact CG2-CD2 4.28Å; I64-W68 HydrophobicContact CG2-CE3 4.02Å; I64-W68 HydrophobicContact CG2-CG 4.37Å; I64-W68 WeakPolarHBondContact O-CB 3.37Å; I64-W68 PolarHBondContact O-N 2.88Å; I64-W68 VanDerWaalsContact O-N 3.17Å; W68-I83 HydrophobicContact CE3-CD1 3.84Å; W68-I83 HydrophobicContact CZ3-CD1 4.41Å; W68-R88 HydrophobicContact CD2-CG 4.46Å; W68-R88 HydrophobicContact CE3-CG 4.21Å; W68-R88 HydrophobicContact CH2-CB 3.67Å; W68-R88 HydrophobicContact CH2-CG 3.79Å; W68-R88 HydrophobicContact CZ2-CB 3.88Å; W68-R88 HydrophobicContact CZ2-CG 4Å; W68-R88 HydrophobicContact CZ3-CB 4.23Å; W68-R88 HydrophobicContact CZ3-CG 3.88Å; W68-R88 PolarHBondContact O-NH2 3.35Å; W68-I91 HydrophobicContact CH2-CB 4.12Å; W68-I91 HydrophobicContact CH2-CD1 4.43Å; W68-I91 HydrophobicContact CH2-CG2 4.12Å; W68-I91 HydrophobicContact CZ3-CB 4.4Å; W68-I91 HydrophobicContact CZ3-CD1 3.9Å; W68-I91 HydrophobicContact CZ3-CG2 4.33Å; W68-R92 HydrophobicContact CZ2-CG 4.31Å; W68-I117 HydrophobicContact CD2-CG1 3.99Å; W68-I117 HydrophobicContact CE3-CG1 4.28Å; W68-I117 HydrophobicContact CH2-CD1 3.93Å; W68-I117 HydrophobicContact CH2-CG1 3.96Å; W68-I117 HydrophobicContact CH2-CG2 4.46Å; W68-I117 HydrophobicContact CZ2-CB 4.23Å; W68-I117 HydrophobicContact CZ2-CD1 4.09Å; W68-I117 HydrophobicContact CZ2-CG1 3.69Å; W68-I117 HydrophobicContact CZ2-CG2 3.64Å; W68-I117 HydrophobicContact CZ3-CD1 4.28Å; W68-I117 HydrophobicContact CZ3-CG1 4.26Å; W68-D121 PolarHBondContact NE1-OD2 3.43Å |
| 69 | S | 75.3 | Confident | 65.8 | Low | 42 Ų | 42 | 74 Ų | 74 | 29% | 0.294 | 44% | 0.438 | S | S | . | . | S | Bend | trans | -74 | 132.2 | 176.1 | 47.1 | 0 | 0 | 0 | 0 | 111.1 | G71 | S69-G71 PolarHBondContact O-N 3.26Š|
| 70 | D | 62.4 | Low | 63.9 | Low | 80 Ų | 80 | 77.7 Ų | 77.7 | 43% | 0.428 | 46% | 0.463 | S | S | . | . | trans | -82.8 | 90.5 | 163 | -55.8 | -39.5 | 0 | 0 | 0 | 105.2 | E72 N82 R88 K125 | D70-E72 PolarHBondContact O-N 2.94Å; D70-N82 PolarHBondContact OD1-ND2 2.85Å; D70-R88 IonicContact OD1-CZ 3.75Å; D70-R88 IonicContact OD1-NH1 3.84Å; D70-R88 PolarHBondContact OD1-NH1 3.45Å; D70-R88 IonicContact OD1-NH2 3.69Å; D70-R88 PolarHBondContact OD1-NH2 3.11Å; D70-R88 IonicContact OD2-NH1 3.48Å; D70-R88 PolarHBondContact OD2-NH1 3.06Å; D70-K125 IonicContact OD2-NZ 3.74Å; D70-K125 PolarHBondContact OD2-NZ 3.41Å | ||
| 71 | G | 49.2 | Very low | 62.3 | Low | 51 Ų | 51 | 81.2 Ų | 81.2 | 53% | 0.526 | 48% | 0.482 | S | S | . | . | trans | -50.6 | 129.5 | -169 | 0 | 0 | 0 | 0 | 0 | 113.7 | S69 V73 | S69-G71 PolarHBondContact O-N 3.26Å; G71-V73 PolarHBondContact O-N 2.81Å | ||
| 72 | E | 40 | Very low | 61.3 | Low | 202 Ų | 202 | 82.2 Ų | 82.2 | 94% | 0.944 | 49% | 0.49 | S | S | * | . | trans | -72.8 | 82 | 151.9 | -78.1 | -175.4 | 162.3 | 0 | 0 | 106.8 | D70 | D70-E72 PolarHBondContact O-N 2.94Š| ||
| 73 | V | 38.8 | Very low | 60.8 | Low | 109 Ų | 109 | 79.7 Ų | 79.7 | 66% | 0.661 | 48% | 0.476 | S | S | * | . | trans | -90.5 | 104 | 165.3 | -174.1 | 0 | 0 | 0 | 0 | 106 | G71 G75 | G71-V73 PolarHBondContact O-N 2.81Å; V73-G75 VanDerWaalsContact C-N 3.34Å; V73-G75 PolarHBondContact O-N 3.06Å | ||
| 74 | A | 42.3 | Very low | 60.6 | Low | 109 Ų | 109 | 80.6 Ų | 80.6 | 90% | 0.901 | 48% | 0.483 | S | S | * | . | trans | -60.6 | 101.7 | 156.1 | 0 | 0 | 0 | 0 | 0 | 107 | ||||
| 75 | G | 36.8 | Very low | 60.4 | Low | 52 Ų | 52 | 85.2 Ų | 85.2 | 54% | 0.536 | 51% | 0.505 | S | S | . | . | S | Bend | trans | 145.4 | 140.2 | 177.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | V73 E77 | V73-G75 VanDerWaalsContact C-N 3.34Å; V73-G75 PolarHBondContact O-N 3.06Å; G75-E77 VanDerWaalsContact C-N 3.29Å; G75-E77 PolarHBondContact O-N 3.41Å |
| 76 | T | 41 | Very low | 60.4 | Low | 155 Ų | 155 | 88.2 Ų | 88.2 | 95% | 0.951 | 52% | 0.517 | S | S | * | . | S | Bend | trans | -69.2 | 57.9 | -171.2 | 40.2 | 0 | 0 | 0 | 0 | 115.7 | ||
| 77 | E | 37.8 | Very low | 60.5 | Low | 161 Ų | 161 | 82.6 Ų | 82.6 | 75% | 0.752 | 49% | 0.491 | S | S | * | . | trans | -125.7 | 138.3 | 165.9 | -68.6 | -162.5 | 161.2 | 0 | 0 | 112 | G75 | G75-E77 VanDerWaalsContact C-N 3.29Å; G75-E77 PolarHBondContact O-N 3.41Å | ||
| 78 | P | 39.4 | Very low | 60.7 | Low | 105 Ų | 105 | 81.5 Ų | 81.5 | 68% | 0.682 | 49% | 0.485 | S | S | * | . | trans | -68.1 | 142.7 | 178.5 | 28.1 | -32 | 0 | 0 | 0 | 110.4 | V80 | P78-V80 WeakPolarHBondContact O-CG2 3.36Å; P78-V80 PolarHBondContact O-N 3.09Å; P78-V80 VanDerWaalsContact O-N 3.08Å | ||
| 79 | P | 47.1 | Very low | 61 | Low | 115 Ų | 115 | 84.7 Ų | 84.7 | 75% | 0.747 | 50% | 0.501 | S | S | * | . | trans | -61.6 | 115.1 | -176.1 | 23.3 | -32.3 | 0 | 0 | 0 | 110.8 | ||||
| 80 | V | 49.4 | Very low | 61.8 | Low | 107 Ų | 107 | 84.8 Ų | 84.8 | 65% | 0.648 | 50% | 0.496 | S | S | * | . | trans | -92.7 | 110.3 | -179.2 | -174.7 | 0 | 0 | 0 | 0 | 109.2 | P78 | P78-V80 WeakPolarHBondContact O-CG2 3.36Å; P78-V80 PolarHBondContact O-N 3.09Å; P78-V80 VanDerWaalsContact O-N 3.08Å | ||
| 81 | N | 55.8 | Low | 63.2 | Low | 74 Ų | 74 | 81 Ų | 81 | 40% | 0.396 | 48% | 0.476 | S | S | . | . | trans | 71 | 69.3 | 165.5 | -59.6 | -24.2 | 0 | 0 | 0 | 118.3 | H67 | H67-N81 PolarHBondContact ND1-O 3.35Š| ||
| 82 | N | 70.2 | Confident | 65.2 | Low | 63 Ų | 63 | 79.3 Ų | 79.3 | 34% | 0.337 | 45% | 0.453 | S | S | . | . | P | Polyproline II helix | trans | -89.7 | 149 | 166 | -73.1 | 8.1 | 0 | 0 | 0 | 112.4 | D70 | D70-N82 PolarHBondContact OD1-ND2 2.85Š|
| 83 | I | 79 | Confident | 67.6 | Low | 14 Ų | 14 | 73.1 Ų | 73.1 | 7% | 0.072 | 43% | 0.427 | C | S | . | . | P | Polyproline II helix | trans | -61.4 | 131.9 | 173.4 | -63.4 | 166.5 | 0 | 0 | 0 | 109.4 | M36 I64 H67 W68 D87 R88 | M36-I83 HydrophobicContact CE-CD1 4.03Å; M36-I83 HydrophobicContact CG-CG2 4.13Å; I64-I83 HydrophobicContact CG1-CD1 4.44Å; H67-I83 HydrophobicContact CB-CD1 4.21Å; H67-I83 HydrophobicContact CB-CG1 3.9Å; H67-I83 PolarHBondContact O-N 3.18Å; W68-I83 HydrophobicContact CE3-CD1 3.84Å; W68-I83 HydrophobicContact CZ3-CD1 4.41Å; I83-D87 HydrophobicContact CG2-CB 3.84Å; I83-R88 HydrophobicContact CB-CG 4.22Å; I83-R88 HydrophobicContact CG2-CG 3.9Å; I83-R88 PolarHBondContact O-NE 3.12Å |
| 84 | P | 83.3 | Confident | 70.1 | Confident | 33 Ų | 33 | 70.8 Ų | 70.8 | 21% | 0.214 | 41% | 0.411 | C | S | . | . | P | Polyproline II helix | trans | -57.2 | 141.7 | 178.5 | -25.6 | 34.8 | 0 | 0 | 0 | 113 | V33 E86 D87 R88 | V33-P84 HydrophobicContact CG2-CB 4.47Å; V33-P84 HydrophobicContact CG2-CG 4.23Å; P84-E86 VanDerWaalsContact C-N 3.25Å; P84-E86 PolarHBondContact O-N 3.4Å; P84-D87 WeakPolarHBondContact O-CA 3.18Å; P84-D87 WeakPolarHBondContact O-CB 3.45Å; P84-D87 PolarHBondContact O-N 3.25Å; P84-R88 PolarHBondContact O-N 2.94Å |
| 85 | E | 84.3 | Confident | 72.6 | Confident | 97 Ų | 97 | 65.7 Ų | 65.7 | 45% | 0.453 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.4 | -31.6 | -177.3 | -173.7 | 55.6 | -144 | 0 | 0 | 113.2 | D87 R88 Q89 R92 | E85-D87 VanDerWaalsContact C-N 3.32Å; E85-D87 PolarHBondContact O-N 3.36Å; E85-R88 PolarHBondContact O-N 2.9Å; E85-R88 WeakPolarHBondContact OE2-CD 3.45Å; E85-R88 IonicContact OE2-NH1 2.63Å; E85-Q89 WeakPolarHBondContact O-CB 3.45Å; E85-Q89 PolarHBondContact O-N 2.75Å; E85-R92 IonicContact OE1-CZ 2.64Å; E85-R92 IonicContact OE1-NH2 3.07Å; E85-R92 PolarHBondContact OE1-NH2 3.19Å |
| 86 | E | 85.2 | Confident | 75.2 | Confident | 131 Ų | 131 | 63.2 Ų | 63.2 | 61% | 0.612 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -60.9 | -41.4 | 173.7 | -65.2 | -176.9 | 176.9 | 0 | 0 | 111.9 | V33 P84 F90 | V33-E86 WeakPolarHBondContact CG1-OE2 3.35Å; P84-E86 VanDerWaalsContact C-N 3.25Å; P84-E86 PolarHBondContact O-N 3.4Å; E86-F90 WeakPolarHBondContact O-CB 3.5Å; E86-F90 PolarHBondContact O-N 3.22Å |
| 87 | D | 85.6 | Confident | 77.7 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -69.9 | -39.8 | 175.3 | -84.3 | -43.1 | 0 | 0 | 0 | 111.1 | N34 M36 S37 I83 P84 E85 F90 I91 | N34-D87 WeakPolarHBondContact CA-OD1 3.34Å; N34-D87 WeakPolarHBondContact CA-OD2 3.31Å; N34-D87 PolarHBondContact N-OD1 3.46Å; N34-D87 PolarHBondContact N-OD2 3Å; M36-D87 HydrophobicContact CB-CB 4.08Å; S37-D87 WeakPolarHBondContact CB-OD1 3.2Å; S37-D87 PolarHBondContact N-OD1 2.89Å; S37-D87 PolarHBondContact OG-OD1 3.44Å; I83-D87 HydrophobicContact CG2-CB 3.84Å; P84-D87 WeakPolarHBondContact O-CA 3.18Å; P84-D87 WeakPolarHBondContact O-CB 3.45Å; P84-D87 PolarHBondContact O-N 3.25Å; E85-D87 VanDerWaalsContact C-N 3.32Å; E85-D87 PolarHBondContact O-N 3.36Å; D87-F90 PolarHBondContact O-N 3Å; D87-I91 VanDerWaalsContact O-CG1 3.27Å; D87-I91 WeakPolarHBondContact O-CG1 3.2Å; D87-I91 PolarHBondContact O-N 3.12Å |
| 88 | R | 88.9 | Confident | 80.2 | Confident | 8 Ų | 8 | 50.3 Ų | 50.3 | 3% | 0.03 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.2 | -47.6 | 175.6 | -67.2 | -176.4 | 177 | 173.1 | -3.3 | 111.3 | H67 W68 D70 I83 P84 E85 I91 R92 | H67-R88 PolarHBondContact O-NH2 3.16Å; W68-R88 HydrophobicContact CD2-CG 4.46Å; W68-R88 HydrophobicContact CE3-CG 4.21Å; W68-R88 HydrophobicContact CH2-CB 3.67Å; W68-R88 HydrophobicContact CH2-CG 3.79Å; W68-R88 HydrophobicContact CZ2-CB 3.88Å; W68-R88 HydrophobicContact CZ2-CG 4Å; W68-R88 HydrophobicContact CZ3-CB 4.23Å; W68-R88 HydrophobicContact CZ3-CG 3.88Å; W68-R88 PolarHBondContact O-NH2 3.35Å; D70-R88 IonicContact OD1-CZ 3.75Å; D70-R88 IonicContact OD1-NH1 3.84Å; D70-R88 PolarHBondContact OD1-NH1 3.45Å; D70-R88 IonicContact OD1-NH2 3.69Å; D70-R88 PolarHBondContact OD1-NH2 3.11Å; D70-R88 IonicContact OD2-NH1 3.48Å; D70-R88 PolarHBondContact OD2-NH1 3.06Å; I83-R88 HydrophobicContact CB-CG 4.22Å; I83-R88 HydrophobicContact CG2-CG 3.9Å; I83-R88 PolarHBondContact O-NE 3.12Å; P84-R88 PolarHBondContact O-N 2.94Å; E85-R88 PolarHBondContact O-N 2.9Å; E85-R88 WeakPolarHBondContact OE2-CD 3.45Å; E85-R88 IonicContact OE2-NH1 2.63Å; R88-I91 PolarHBondContact O-N 2.99Å; R88-R92 WeakPolarHBondContact O-CG 3.17Å; R88-R92 PolarHBondContact O-N 3.48Å |
| 89 | Q | 89.3 | Confident | 82.7 | Confident | 71 Ų | 71 | 45.3 Ų | 45.3 | 33% | 0.332 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -62.3 | -44.5 | 177 | -176.5 | 64 | 57.2 | 0 | 0 | 111.6 | E85 I91 R92 D93 | E85-Q89 WeakPolarHBondContact O-CB 3.45Å; E85-Q89 PolarHBondContact O-N 2.75Å; Q89-I91 VanDerWaalsContact C-N 3.32Å; Q89-I91 PolarHBondContact O-N 3.4Å; Q89-R92 PolarHBondContact O-N 3.08Å; Q89-R92 VanDerWaalsContact OE1-NH1 3.08Å; Q89-D93 VanDerWaalsContact NE2-CG 3.31Å; Q89-D93 PolarHBondContact NE2-OD1 2.97Å; Q89-D93 PolarHBondContact NE2-OD2 3.44Å; Q89-D93 VanDerWaalsContact NE2-OD2 3.08Å; Q89-D93 WeakPolarHBondContact O-CB 3.47Å; Q89-D93 VanDerWaalsContact O-CG 3.29Å; Q89-D93 PolarHBondContact O-N 3.17Å |
| 90 | F | 90.9 | Very high | 84.8 | Confident | 43 Ų | 43 | 40.9 Ų | 40.9 | 19% | 0.189 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.1 | -41.9 | 177.1 | -178.5 | -92.6 | 0 | 0 | 0 | 112.1 | S37 L40 R41 E86 D87 D93 N94 | S37-F90 VanDerWaalsContact CB-CD1 3.43Å; S37-F90 VanDerWaalsContact OG-CB 3.28Å; S37-F90 WeakPolarHBondContact OG-CB 3.43Å; S37-F90 VanDerWaalsContact OG-CD1 3.23Å; S37-F90 WeakPolarHBondContact OG-CD1 3.4Å; S37-F90 VanDerWaalsContact OG-CG 3.3Å; S37-F90 WeakPolarHBondContact OG-CG 3.27Å; L40-F90 HydrophobicContact CD2-CE1 4.26Å; R41-F90 HydrophobicContact CG-CE1 4.28Å; R41-F90 HydrophobicContact CG-CZ 4.07Å; R41-F90 VanDerWaalsContact NE-CZ 3.25Å; E86-F90 WeakPolarHBondContact O-CB 3.5Å; E86-F90 PolarHBondContact O-N 3.22Å; D87-F90 PolarHBondContact O-N 3Å; F90-D93 PolarHBondContact O-N 3.41Å; F90-N94 WeakPolarHBondContact CE2-ND2 3.38Å; F90-N94 PolarHBondContact O-N 3.19Å; F90-N94 PolarHBondContact O-ND2 3.13Å |
| 91 | I | 91.9 | Very high | 86.7 | Confident | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.005 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | 176.7 | -68.4 | 165.8 | 0 | 0 | 0 | 110.2 | M36 L40 L60 W68 D87 R88 Q89 D93 N94 I95 I117 | M36-I91 HydrophobicContact CB-CD1 4.04Å; L40-I91 HydrophobicContact CD2-CG1 4.33Å; L60-I91 HydrophobicContact CD1-CD1 4.37Å; W68-I91 HydrophobicContact CH2-CB 4.12Å; W68-I91 HydrophobicContact CH2-CD1 4.43Å; W68-I91 HydrophobicContact CH2-CG2 4.12Å; W68-I91 HydrophobicContact CZ3-CB 4.4Å; W68-I91 HydrophobicContact CZ3-CD1 3.9Å; W68-I91 HydrophobicContact CZ3-CG2 4.33Å; D87-I91 VanDerWaalsContact O-CG1 3.27Å; D87-I91 WeakPolarHBondContact O-CG1 3.2Å; D87-I91 PolarHBondContact O-N 3.12Å; R88-I91 PolarHBondContact O-N 2.99Å; Q89-I91 VanDerWaalsContact C-N 3.32Å; Q89-I91 PolarHBondContact O-N 3.4Å; I91-D93 PolarHBondContact O-N 3.19Å; I91-N94 PolarHBondContact O-N 2.74Å; I91-N94 VanDerWaalsContact O-N 3.11Å; I91-I95 HydrophobicContact CG2-CB 4.28Å; I91-I95 HydrophobicContact CG2-CD1 4.14Å; I91-I95 VanDerWaalsContact O-CB 3.25Å; I91-I95 WeakPolarHBondContact O-CB 3.35Å; I91-I95 WeakPolarHBondContact O-CG2 3.35Å; I91-I95 PolarHBondContact O-N 3.38Å; I91-I117 HydrophobicContact CG2-CD1 3.67Å |
| 92 | R | 91.9 | Very high | 88.3 | Confident | 16 Ų | 16 | 39.2 Ų | 39.2 | 6% | 0.06 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -54.3 | -40.1 | 175 | -74.8 | -172.1 | -74.8 | 128 | -1.8 | 111.9 | W68 E85 R88 Q89 N94 I117 K125 W126 | W68-R92 HydrophobicContact CZ2-CG 4.31Å; E85-R92 IonicContact OE1-CZ 2.64Å; E85-R92 IonicContact OE1-NH2 3.07Å; E85-R92 PolarHBondContact OE1-NH2 3.19Å; R88-R92 WeakPolarHBondContact O-CG 3.17Å; R88-R92 PolarHBondContact O-N 3.48Å; Q89-R92 PolarHBondContact O-N 3.08Å; Q89-R92 VanDerWaalsContact OE1-NH1 3.08Å; R92-N94 VanDerWaalsContact C-N 3.34Å; R92-N94 PolarHBondContact O-N 3.45Å; R92-I117 HydrophobicContact CG-CG2 4.08Å; R92-K125 PolarHBondContact NH1-O 2.88Å; R92-W126 HydrophobicContact CB-CD2 4.19Å; R92-W126 HydrophobicContact CB-CG 4.49Å; R92-W126 HydrophobicContact CB-CZ2 3.98Å; R92-W126 HydrophobicContact CG-CD2 3.83Å; R92-W126 HydrophobicContact CG-CE3 4.17Å; R92-W126 HydrophobicContact CG-CG 4.15Å; R92-W126 HydrophobicContact CG-CZ2 4.26Å; R92-W126 WeakPolarHBondContact O-CZ2 3.47Å |
| 93 | D | 90.4 | Very high | 89.2 | Confident | 71 Ų | 71 | 38.7 Ų | 38.7 | 38% | 0.38 | 19% | 0.193 | S | C | . | . | H | α-helix | trans | -75.4 | -16.6 | -178.5 | -69.5 | -23.5 | 0 | 0 | 0 | 114.7 | Q89 F90 I91 K132 | Q89-D93 VanDerWaalsContact NE2-CG 3.31Å; Q89-D93 PolarHBondContact NE2-OD1 2.97Å; Q89-D93 PolarHBondContact NE2-OD2 3.44Å; Q89-D93 VanDerWaalsContact NE2-OD2 3.08Å; Q89-D93 WeakPolarHBondContact O-CB 3.47Å; Q89-D93 VanDerWaalsContact O-CG 3.29Å; Q89-D93 PolarHBondContact O-N 3.17Å; F90-D93 PolarHBondContact O-N 3.41Å; I91-D93 PolarHBondContact O-N 3.19Å; D93-K132 PolarHBondContact O-NZ 3.46Å |
| 94 | N | 92.5 | Very high | 89.5 | Confident | 61 Ų | 61 | 45 Ų | 45 | 33% | 0.326 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -127.5 | -14 | -171.9 | -66.7 | -88.6 | 0 | 0 | 0 | 115 | L40 F90 I91 R92 V96 E97 A98 | L40-N94 HydrophobicContact CD2-CB 4.22Å; F90-N94 WeakPolarHBondContact CE2-ND2 3.38Å; F90-N94 PolarHBondContact O-N 3.19Å; F90-N94 PolarHBondContact O-ND2 3.13Å; I91-N94 PolarHBondContact O-N 2.74Å; I91-N94 VanDerWaalsContact O-N 3.11Å; R92-N94 VanDerWaalsContact C-N 3.34Å; R92-N94 PolarHBondContact O-N 3.45Å; N94-V96 VanDerWaalsContact C-N 3.34Å; N94-V96 PolarHBondContact O-N 3.21Å; N94-E97 PolarHBondContact O-N 2.98Å; N94-A98 WeakPolarHBondContact O-CB 3.49Å; N94-A98 PolarHBondContact O-N 3.37Å |
| 95 | I | 93.4 | Very high | 89.7 | Confident | 1 Ų | 1 | 51 Ų | 51 | 1% | 0.005 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -66.3 | -33.1 | -172.9 | -166.7 | 165.3 | 0 | 0 | 0 | 113.4 | I91 A98 I99 C113 I114 I117 W126 | I91-I95 HydrophobicContact CG2-CB 4.28Å; I91-I95 HydrophobicContact CG2-CD1 4.14Å; I91-I95 VanDerWaalsContact O-CB 3.25Å; I91-I95 WeakPolarHBondContact O-CB 3.35Å; I91-I95 WeakPolarHBondContact O-CG2 3.35Å; I91-I95 PolarHBondContact O-N 3.38Å; I95-A98 WeakPolarHBondContact O-CB 3.25Å; I95-A98 PolarHBondContact O-N 3.37Å; I95-I99 HydrophobicContact CG1-CD1 4.24Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.35Å; I95-I99 PolarHBondContact O-N 2.75Å; I95-C113 HydrophobicContact CD1-CB 3.75Å; I95-I114 HydrophobicContact CD1-CB 4.02Å; I95-I114 HydrophobicContact CG1-CB 4.48Å; I95-I114 HydrophobicContact CG2-CD1 4.1Å; I95-I114 HydrophobicContact CG2-CG1 4.21Å; I95-I117 HydrophobicContact CD1-CD1 3.74Å; I95-W126 HydrophobicContact CG2-CH2 3.72Å; I95-W126 HydrophobicContact CG2-CZ2 4.27Å |
| 96 | V | 92.9 | Very high | 90 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.5 | -49.1 | 178.3 | 175.8 | 0 | 0 | 0 | 0 | 110.5 | N94 A98 I99 I100 I114 I129 K132 Y136 I148 | N94-V96 VanDerWaalsContact C-N 3.34Å; N94-V96 PolarHBondContact O-N 3.21Å; V96-A98 VanDerWaalsContact C-N 3.27Å; V96-A98 PolarHBondContact O-N 3.35Å; V96-I99 PolarHBondContact O-N 3.01Å; V96-I100 HydrophobicContact CG1-CD1 4.12Å; V96-I100 WeakPolarHBondContact O-CG1 3.24Å; V96-I100 PolarHBondContact O-N 3.42Å; V96-I100 VanDerWaalsContact O-N 3.1Å; V96-I114 HydrophobicContact CG2-CD1 4.04Å; V96-I129 HydrophobicContact CG2-CD1 3.54Å; V96-K132 HydrophobicContact CB-CD 4.28Å; V96-K132 HydrophobicContact CG2-CD 4.1Å; V96-Y136 HydrophobicContact CG1-CD2 4.22Å; V96-Y136 HydrophobicContact CG1-CE2 4.29Å; V96-I148 HydrophobicContact CG1-CD1 3.44Å; V96-I148 VanDerWaalsContact CG1-CD1 3.44Å |
| 97 | E | 92 | Very high | 90.3 | Very high | 41 Ų | 41 | 42.4 Ų | 42.4 | 19% | 0.192 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -59.7 | -39.7 | 174.4 | -71 | 72.4 | -162.4 | 0 | 0 | 111.5 | N94 I100 Q101 K132 Y136 | N94-E97 PolarHBondContact O-N 2.98Å; E97-I100 PolarHBondContact O-N 3.11Å; E97-Q101 WeakPolarHBondContact O-CG 3.17Å; E97-Q101 PolarHBondContact O-N 3.47Å; E97-K132 IonicContact OE1-NZ 3.92Å; E97-K132 IonicContact OE2-NZ 3.78Å; E97-K132 PolarHBondContact OE2-NZ 2.82Å; E97-Y136 WeakPolarHBondContact CG-OH 3.49Å; E97-Y136 WeakPolarHBondContact OE1-CE2 3.28Å; E97-Y136 PolarHBondContact OE1-OH 3.02Å |
| 98 | A | 91.5 | Very high | 90.5 | Very high | 4 Ų | 4 | 46.1 Ų | 46.1 | 3% | 0.033 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -61.9 | -43.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | L40 M44 N94 I95 V96 I100 Q101 S102 L110 | L40-A98 HydrophobicContact CD1-CB 4.26Å; M44-A98 HydrophobicContact CE-CB 3.97Å; M44-A98 HydrophobicContact CG-CB 4.06Å; M44-A98 HydrophobicContact SD-CB 3.59Å; M44-A98 VanDerWaalsContact SD-CB 3.59Å; N94-A98 WeakPolarHBondContact O-CB 3.49Å; N94-A98 PolarHBondContact O-N 3.37Å; I95-A98 WeakPolarHBondContact O-CB 3.25Å; I95-A98 PolarHBondContact O-N 3.37Å; V96-A98 VanDerWaalsContact C-N 3.27Å; V96-A98 PolarHBondContact O-N 3.35Å; A98-I100 VanDerWaalsContact C-N 3.35Å; A98-I100 PolarHBondContact O-N 3.23Å; A98-Q101 PolarHBondContact O-N 2.83Å; A98-S102 WeakPolarHBondContact O-CB 3.41Å; A98-S102 PolarHBondContact O-N 2.83Å; A98-S102 PolarHBondContact O-OG 3.19Å; A98-L110 HydrophobicContact CB-CD1 3.83Å |
| 99 | I | 92.3 | Very high | 90.6 | Very high | 0 Ų | 0 | 47.5 Ų | 47.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -62.5 | -42.6 | 176.3 | -71.2 | 166.1 | 0 | 0 | 0 | 111.1 | I95 V96 R107 L110 I114 G147 C151 | I95-I99 HydrophobicContact CG1-CD1 4.24Å; I95-I99 VanDerWaalsContact O-CG1 3.3Å; I95-I99 WeakPolarHBondContact O-CG1 3.35Å; I95-I99 PolarHBondContact O-N 2.75Å; V96-I99 PolarHBondContact O-N 3.01Å; I99-R107 HydrophobicContact CG2-CG 3.85Å; I99-R107 WeakPolarHBondContact O-CG 3.49Å; I99-R107 PolarHBondContact O-NE 2.91Å; I99-L110 HydrophobicContact CD1-CB 4.3Å; I99-L110 HydrophobicContact CG1-CB 3.55Å; I99-L110 HydrophobicContact CG1-CD1 4.24Å; I99-I114 HydrophobicContact CD1-CB 4.03Å; I99-I114 HydrophobicContact CD1-CD1 4.07Å; I99-I114 HydrophobicContact CD1-CG2 3.76Å; I99-G147 WeakPolarHBondContact CG2-O 3.26Å; I99-C151 VanDerWaalsContact CD1-SG 3.59Å |
| 100 | I | 90.9 | Very high | 90.8 | Very high | 22 Ų | 22 | 44.1 Ų | 44.1 | 11% | 0.113 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -62.1 | -45.8 | 179.8 | -72.3 | 165.1 | 0 | 0 | 0 | 111.4 | V96 E97 A98 Y136 A144 | V96-I100 HydrophobicContact CG1-CD1 4.12Å; V96-I100 WeakPolarHBondContact O-CG1 3.24Å; V96-I100 PolarHBondContact O-N 3.42Å; V96-I100 VanDerWaalsContact O-N 3.1Å; E97-I100 PolarHBondContact O-N 3.11Å; A98-I100 VanDerWaalsContact C-N 3.35Å; A98-I100 PolarHBondContact O-N 3.23Å; I100-Y136 HydrophobicContact CD1-CD1 3.94Å; I100-Y136 HydrophobicContact CD1-CD2 3.9Å; I100-Y136 HydrophobicContact CD1-CE1 4.17Å; I100-Y136 HydrophobicContact CD1-CE2 4.13Å; I100-Y136 HydrophobicContact CD1-CG 3.81Å; I100-A144 HydrophobicContact CD1-CB 4.36Å; I100-A144 HydrophobicContact CG1-CB 4.47Å; I100-A144 HydrophobicContact CG2-CB 3.77Å |
| 101 | Q | 88.9 | Confident | 90.9 | Very high | 145 Ų | 145 | 42.6 Ų | 42.6 | 68% | 0.678 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -84.3 | -18.6 | -173 | -65.3 | 173.5 | 7.2 | 0 | 0 | 113.5 | M44 E97 A98 | M44-Q101 HydrophobicContact CE-CB 4.12Å; E97-Q101 WeakPolarHBondContact O-CG 3.17Å; E97-Q101 PolarHBondContact O-N 3.47Å; A98-Q101 PolarHBondContact O-N 2.83Å |
| 102 | S | 89.4 | Confident | 90.8 | Very high | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.014 | 22% | 0.22 | C | C | . | . | S | Bend | trans | -75.5 | 148.4 | -173.3 | -73.3 | 0 | 0 | 0 | 0 | 114 | M44 A98 I106 R107 L110 | M44-S102 WeakPolarHBondContact CE-OG 3.46Å; M44-S102 PolarHBondContact SD-OG 3.13Å; M44-S102 VanDerWaalsContact SD-OG 3.32Å; A98-S102 WeakPolarHBondContact O-CB 3.41Å; A98-S102 PolarHBondContact O-N 2.83Å; A98-S102 PolarHBondContact O-OG 3.19Å; S102-I106 WeakPolarHBondContact OG-CG2 3.43Å; S102-R107 VanDerWaalsContact O-CZ 3.31Å; S102-R107 PolarHBondContact O-NE 2.81Å; S102-R107 PolarHBondContact O-NH2 3.48Å; S102-L110 WeakPolarHBondContact OG-CD1 3.48Å |
| 103 | P | 88.7 | Confident | 90.9 | Very high | 52 Ų | 52 | 44.1 Ų | 44.1 | 34% | 0.338 | 22% | 0.217 | S | C | . | . | trans | -67.4 | 160.7 | 165.8 | 30.9 | -35.6 | 0 | 0 | 0 | 111.2 | L50 R105 I106 R107 | L50-P103 HydrophobicContact CD1-CG 3.94Å; P103-R105 PolarHBondContact O-N 3.07Å; P103-I106 HydrophobicContact CG-CB 4.31Å; P103-I106 HydrophobicContact CG-CD1 3.85Å; P103-I106 HydrophobicContact CG-CG1 4.1Å; P103-I106 PolarHBondContact O-N 3.36Å; P103-R107 WeakPolarHBondContact O-CB 3.41Å; P103-R107 PolarHBondContact O-N 3.36Å | ||
| 104 | E | 85.7 | Confident | 91 | Very high | 146 Ų | 146 | 40.7 Ų | 40.7 | 68% | 0.682 | 20% | 0.199 | S | C | * | . | H | α-helix | trans | -50 | -48.2 | -173.1 | -175.9 | 171.9 | -168.3 | 0 | 0 | 114 | I106 R107 V108 | E104-I106 VanDerWaalsContact C-N 3.26Å; E104-I106 PolarHBondContact O-N 3.45Å; E104-R107 PolarHBondContact O-N 3.13Å; E104-R107 VanDerWaalsContact O-N 3.14Å; E104-V108 HydrophobicContact CG-CG2 4.38Å; E104-V108 WeakPolarHBondContact O-CG2 3.33Å; E104-V108 PolarHBondContact O-N 3.42Å |
| 105 | R | 86.8 | Confident | 91 | Very high | 159 Ų | 159 | 39.9 Ų | 39.9 | 60% | 0.6 | 19% | 0.193 | S | C | * | . | H | α-helix | trans | -57.5 | -35.9 | -179.7 | -66.7 | -170.1 | 179.3 | -168 | -1.2 | 113.7 | P103 | P103-R105 PolarHBondContact O-N 3.07Å |
| 106 | I | 91.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -83.3 | -41.8 | 177.5 | -62.5 | 176.8 | 0 | 0 | 0 | 109.8 | T43 L50 R53 V57 S102 P103 E104 V108 Q109 L110 | T43-I106 HydrophobicContact CG2-CG2 4.18Å; L50-I106 HydrophobicContact CD1-CD1 3.98Å; L50-I106 HydrophobicContact CD1-CG1 4.27Å; R53-I106 HydrophobicContact CB-CD1 3.61Å; V57-I106 HydrophobicContact CB-CG2 4.23Å; V57-I106 HydrophobicContact CG1-CG2 4.31Å; V57-I106 HydrophobicContact CG2-CG2 4.07Å; S102-I106 WeakPolarHBondContact OG-CG2 3.43Å; P103-I106 HydrophobicContact CG-CB 4.31Å; P103-I106 HydrophobicContact CG-CD1 3.85Å; P103-I106 HydrophobicContact CG-CG1 4.1Å; P103-I106 PolarHBondContact O-N 3.36Å; E104-I106 VanDerWaalsContact C-N 3.26Å; E104-I106 PolarHBondContact O-N 3.45Å; I106-V108 VanDerWaalsContact C-N 3.33Å; I106-V108 PolarHBondContact O-N 3.01Å; I106-Q109 PolarHBondContact O-N 2.97Å; I106-Q109 VanDerWaalsContact O-N 3.13Å; I106-L110 HydrophobicContact CG2-CD1 3.91Å; I106-L110 HydrophobicContact CG2-CG 4.17Å; I106-L110 PolarHBondContact O-N 3.47Å |
| 107 | R | 92.3 | Very high | 90.9 | Very high | 47 Ų | 47 | 41.8 Ų | 41.8 | 18% | 0.177 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -57.2 | -42.3 | -178.4 | -167.9 | -175.2 | -56.6 | 144.7 | -1.4 | 112.7 | I99 S102 P103 E104 Q109 L110 T111 L150 | I99-R107 HydrophobicContact CG2-CG 3.85Å; I99-R107 WeakPolarHBondContact O-CG 3.49Å; I99-R107 PolarHBondContact O-NE 2.91Å; S102-R107 VanDerWaalsContact O-CZ 3.31Å; S102-R107 PolarHBondContact O-NE 2.81Å; S102-R107 PolarHBondContact O-NH2 3.48Å; P103-R107 WeakPolarHBondContact O-CB 3.41Å; P103-R107 PolarHBondContact O-N 3.36Å; E104-R107 PolarHBondContact O-N 3.13Å; E104-R107 VanDerWaalsContact O-N 3.14Å; R107-Q109 VanDerWaalsContact C-N 3.34Å; R107-Q109 PolarHBondContact O-N 3.11Å; R107-L110 PolarHBondContact O-N 2.98Å; R107-T111 WeakPolarHBondContact O-CB 3.48Å; R107-T111 PolarHBondContact O-N 3.04Å; R107-T111 PolarHBondContact O-OG1 2.95Å; R107-L150 VanDerWaalsContact CD-CD1 3.49Å; R107-L150 HydrophobicContact CG-CD1 4.06Å |
| 108 | V | 88.8 | Confident | 90.9 | Very high | 78 Ų | 78 | 39.8 Ų | 39.8 | 47% | 0.473 | 19% | 0.192 | S | C | . | . | H | α-helix | trans | -60 | -44.8 | 177.2 | 173.6 | 0 | 0 | 0 | 0 | 110.9 | E104 I106 T111 T112 | E104-V108 HydrophobicContact CG-CG2 4.38Å; E104-V108 WeakPolarHBondContact O-CG2 3.33Å; E104-V108 PolarHBondContact O-N 3.42Å; I106-V108 VanDerWaalsContact C-N 3.33Å; I106-V108 PolarHBondContact O-N 3.01Å; V108-T111 WeakPolarHBondContact O-CB 3.41Å; V108-T111 PolarHBondContact O-N 3.29Å; V108-T112 PolarHBondContact O-N 2.98Å; V108-T112 PolarHBondContact O-OG1 2.77Å |
| 109 | Q | 91.5 | Very high | 90.8 | Very high | 37 Ų | 37 | 45.4 Ų | 45.4 | 17% | 0.173 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.2 | -40.5 | 179.7 | -55 | -60.7 | -40.9 | 0 | 0 | 112 | V57 I58 K61 I106 R107 T111 T112 C113 | V57-Q109 HydrophobicContact CB-CB 4.3Å; V57-Q109 HydrophobicContact CG1-CB 3.67Å; V57-Q109 HydrophobicContact CG1-CG 3.8Å; V57-Q109 HydrophobicContact CG2-CB 3.71Å; I58-Q109 HydrophobicContact CG1-CG 4.26Å; K61-Q109 VanDerWaalsContact CD-OE1 3.3Å; I106-Q109 PolarHBondContact O-N 2.97Å; I106-Q109 VanDerWaalsContact O-N 3.13Å; R107-Q109 VanDerWaalsContact C-N 3.34Å; R107-Q109 PolarHBondContact O-N 3.11Å; Q109-T111 VanDerWaalsContact C-N 3.27Å; Q109-T111 PolarHBondContact O-N 2.93Å; Q109-T112 WeakPolarHBondContact O-CB 3.38Å; Q109-T112 PolarHBondContact O-N 3.07Å; Q109-C113 PolarHBondContact O-N 3.24Å; Q109-C113 VanDerWaalsContact O-N 3.12Å; Q109-C113 PolarHBondContact O-SG 3.15Å |
| 110 | L | 93.1 | Very high | 90.6 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -65.4 | -30.8 | 174.2 | -69.3 | 176.5 | 0 | 0 | 0 | 112.6 | L40 M44 V57 L60 A98 I99 S102 I106 R107 T112 C113 I114 | L40-L110 HydrophobicContact CD1-CD2 4.19Å; M44-L110 HydrophobicContact SD-CD1 4.28Å; V57-L110 HydrophobicContact CG2-CD2 3.63Å; V57-L110 HydrophobicContact CG2-CG 3.75Å; L60-L110 HydrophobicContact CD2-CD2 4.18Å; A98-L110 HydrophobicContact CB-CD1 3.83Å; I99-L110 HydrophobicContact CD1-CB 4.3Å; I99-L110 HydrophobicContact CG1-CB 3.55Å; I99-L110 HydrophobicContact CG1-CD1 4.24Å; S102-L110 WeakPolarHBondContact OG-CD1 3.48Å; I106-L110 HydrophobicContact CG2-CD1 3.91Å; I106-L110 HydrophobicContact CG2-CG 4.17Å; I106-L110 PolarHBondContact O-N 3.47Å; R107-L110 PolarHBondContact O-N 2.98Å; L110-T112 VanDerWaalsContact C-N 3.34Å; L110-C113 WeakPolarHBondContact O-CB 3.32Å; L110-C113 PolarHBondContact O-N 3Å; L110-I114 PolarHBondContact O-N 3.35Å |
| 111 | T | 92 | Very high | 90.5 | Very high | 11 Ų | 11 | 48.8 Ų | 48.8 | 7% | 0.067 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -66.9 | -37.1 | 175.7 | -57.4 | 0 | 0 | 0 | 0 | 110.8 | R107 V108 Q109 I114 H115 L150 Q154 | R107-T111 WeakPolarHBondContact O-CB 3.48Å; R107-T111 PolarHBondContact O-N 3.04Å; R107-T111 PolarHBondContact O-OG1 2.95Å; V108-T111 WeakPolarHBondContact O-CB 3.41Å; V108-T111 PolarHBondContact O-N 3.29Å; Q109-T111 VanDerWaalsContact C-N 3.27Å; Q109-T111 PolarHBondContact O-N 2.93Å; T111-I114 VanDerWaalsContact O-CG2 3.3Å; T111-I114 WeakPolarHBondContact O-CG2 3.1Å; T111-H115 PolarHBondContact O-N 3.12Å; T111-H115 VanDerWaalsContact O-N 3.13Å; T111-L150 HydrophobicContact CG2-CB 4.4Å; T111-Q154 HydrophobicContact CG2-CG 3.52Å |
| 112 | T | 90.9 | Very high | 90.6 | Very high | 49 Ų | 49 | 43 Ų | 43 | 30% | 0.301 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -65.1 | -40.7 | 170.3 | -50.4 | 0 | 0 | 0 | 0 | 111.4 | K61 I65 V108 Q109 L110 H115 H116 | K61-T112 HydrophobicContact CD-CG2 3.97Å; K61-T112 HydrophobicContact CG-CG2 4.14Å; I65-T112 HydrophobicContact CD1-CG2 4.23Å; V108-T112 PolarHBondContact O-N 2.98Å; V108-T112 PolarHBondContact O-OG1 2.77Å; Q109-T112 WeakPolarHBondContact O-CB 3.38Å; Q109-T112 PolarHBondContact O-N 3.07Å; L110-T112 VanDerWaalsContact C-N 3.34Å; T112-H115 WeakPolarHBondContact O-CB 3.4Å; T112-H115 PolarHBondContact O-N 3.34Å; T112-H116 PolarHBondContact O-CD2 3.01Å; T112-H116 PolarHBondContact O-N 3.25Å |
| 113 | C | 92.9 | Very high | 90.3 | Very high | 0 Ų | 0 | 45.6 Ų | 45.6 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -58.7 | -51.3 | 176.8 | -60.7 | 0 | 0 | 0 | 0 | 111.4 | K61 I64 I95 Q109 L110 H115 H116 I117 | K61-C113 WeakPolarHBondContact CA-SG 3.22Å; I64-C113 HydrophobicContact CD1-CB 3.75Å; I95-C113 HydrophobicContact CD1-CB 3.75Å; Q109-C113 PolarHBondContact O-N 3.24Å; Q109-C113 VanDerWaalsContact O-N 3.12Å; Q109-C113 PolarHBondContact O-SG 3.15Å; L110-C113 WeakPolarHBondContact O-CB 3.32Å; L110-C113 PolarHBondContact O-N 3Å; C113-H115 VanDerWaalsContact C-N 3.28Å; C113-H115 PolarHBondContact O-N 3.09Å; C113-H116 PolarHBondContact O-N 3.21Å; C113-I117 VanDerWaalsContact O-CG1 3.28Å; C113-I117 WeakPolarHBondContact O-CG1 3.44Å; C113-I117 PolarHBondContact O-N 3.46Å; C113-I117 VanDerWaalsContact O-N 3.08Å |
| 114 | I | 94.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 46.3 Ų | 46.3 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.5 | -31.6 | -178.8 | -159.8 | 175.2 | 0 | 0 | 0 | 112.2 | I95 V96 I99 L110 T111 I117 I118 W126 I129 C151 Q154 | I95-I114 HydrophobicContact CD1-CB 4.02Å; I95-I114 HydrophobicContact CG1-CB 4.48Å; I95-I114 HydrophobicContact CG2-CD1 4.1Å; I95-I114 HydrophobicContact CG2-CG1 4.21Å; V96-I114 HydrophobicContact CG2-CD1 4.04Å; I99-I114 HydrophobicContact CD1-CB 4.03Å; I99-I114 HydrophobicContact CD1-CD1 4.07Å; I99-I114 HydrophobicContact CD1-CG2 3.76Å; L110-I114 PolarHBondContact O-N 3.35Å; T111-I114 VanDerWaalsContact O-CG2 3.3Å; T111-I114 WeakPolarHBondContact O-CG2 3.1Å; I114-I117 PolarHBondContact O-N 2.89Å; I114-I118 HydrophobicContact CD1-CD1 4.49Å; I114-I118 HydrophobicContact CG1-CD1 4.02Å; I114-I118 HydrophobicContact CG1-CG1 4.29Å; I114-I118 WeakPolarHBondContact O-CB 3.36Å; I114-I118 VanDerWaalsContact O-CG1 3.23Å; I114-I118 WeakPolarHBondContact O-CG1 3.37Å; I114-I118 PolarHBondContact O-N 3.39Å; I114-W126 HydrophobicContact CD1-CH2 4.04Å; I114-W126 HydrophobicContact CD1-CZ3 4.49Å; I114-W126 HydrophobicContact CG1-CH2 3.94Å; I114-W126 HydrophobicContact CG1-CZ3 3.99Å; I114-I129 HydrophobicContact CD1-CD1 4.03Å; I114-C151 HydrophobicContact CD1-CB 4.06Å; I114-Q154 HydrophobicContact CG2-CB 4.29Å; I114-Q154 HydrophobicContact CG2-CG 4Å |
| 115 | H | 92.4 | Very high | 90 | Very high | 43 Ų | 43 | 44.9 Ų | 44.9 | 20% | 0.199 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -59.8 | -49.8 | 174.1 | -179.9 | 73.7 | 0 | 0 | 0 | 111.9 | T111 T112 C113 I117 I118 K119 Q154 | T111-H115 PolarHBondContact O-N 3.12Å; T111-H115 VanDerWaalsContact O-N 3.13Å; T112-H115 WeakPolarHBondContact O-CB 3.4Å; T112-H115 PolarHBondContact O-N 3.34Å; C113-H115 VanDerWaalsContact C-N 3.28Å; C113-H115 PolarHBondContact O-N 3.09Å; H115-I117 VanDerWaalsContact C-N 3.34Å; H115-I117 PolarHBondContact O-N 2.92Å; H115-I118 PolarHBondContact O-N 3.18Å; H115-K119 PolarHBondContact O-N 3Å; H115-Q154 HydrophobicContact CB-CB 4.12Å; H115-Q154 HydrophobicContact CB-CG 4.04Å; H115-Q154 PolarHBondContact ND1-OE1 2.92Å; H115-Q154 VanDerWaalsContact ND1-OE1 3.15Å |
| 116 | H | 90.6 | Very high | 90 | Very high | 41 Ų | 41 | 37.4 Ų | 37.4 | 19% | 0.19 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -62.5 | -39.9 | 176.5 | -83.8 | -90.6 | 0 | 0 | 0 | 112.4 | I64 T112 C113 K119 H120 | I64-H116 HydrophobicContact CG2-CB 4.07Å; T112-H116 PolarHBondContact O-CD2 3.01Å; T112-H116 PolarHBondContact O-N 3.25Å; C113-H116 PolarHBondContact O-N 3.21Å; H116-K119 PolarHBondContact O-N 3.21Å; H116-H120 PolarHBondContact O-CD2 3.11Å; H116-H120 VanDerWaalsContact O-CD2 3.26Å; H116-H120 PolarHBondContact O-N 2.97Å |
| 117 | I | 92.3 | Very high | 89.8 | Confident | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 176.9 | -61.5 | 168 | 0 | 0 | 0 | 110.4 | I64 W68 I91 R92 I95 C113 I114 H115 K119 H120 D121 W126 | I64-I117 HydrophobicContact CD1-CD1 4.4Å; I64-I117 HydrophobicContact CG2-CG1 4.11Å; W68-I117 HydrophobicContact CD2-CG1 3.99Å; W68-I117 HydrophobicContact CE3-CG1 4.28Å; W68-I117 HydrophobicContact CH2-CD1 3.93Å; W68-I117 HydrophobicContact CH2-CG1 3.96Å; W68-I117 HydrophobicContact CH2-CG2 4.46Å; W68-I117 HydrophobicContact CZ2-CB 4.23Å; W68-I117 HydrophobicContact CZ2-CD1 4.09Å; W68-I117 HydrophobicContact CZ2-CG1 3.69Å; W68-I117 HydrophobicContact CZ2-CG2 3.64Å; W68-I117 HydrophobicContact CZ3-CD1 4.28Å; W68-I117 HydrophobicContact CZ3-CG1 4.26Å; I91-I117 HydrophobicContact CG2-CD1 3.67Å; R92-I117 HydrophobicContact CG-CG2 4.08Å; I95-I117 HydrophobicContact CD1-CD1 3.74Å; C113-I117 VanDerWaalsContact O-CG1 3.28Å; C113-I117 WeakPolarHBondContact O-CG1 3.44Å; C113-I117 PolarHBondContact O-N 3.46Å; C113-I117 VanDerWaalsContact O-N 3.08Å; I114-I117 PolarHBondContact O-N 2.89Å; H115-I117 VanDerWaalsContact C-N 3.34Å; H115-I117 PolarHBondContact O-N 2.92Å; I117-K119 VanDerWaalsContact C-N 3.32Å; I117-K119 PolarHBondContact O-N 3.11Å; I117-H120 PolarHBondContact O-N 3.23Å; I117-D121 HydrophobicContact CG2-CB 4.5Å; I117-D121 VanDerWaalsContact O-CB 3.3Å; I117-D121 WeakPolarHBondContact O-CB 3.34Å; I117-D121 PolarHBondContact O-N 3.38Å; I117-W126 HydrophobicContact CB-CZ3 4.11Å; I117-W126 HydrophobicContact CG2-CE3 3.49Å; I117-W126 VanDerWaalsContact CG2-CE3 3.49Å; I117-W126 HydrophobicContact CG2-CH2 4.38Å; I117-W126 HydrophobicContact CG2-CZ3 3.4Å; I117-W126 VanDerWaalsContact CG2-CZ3 3.4Å |
| 118 | I | 92.1 | Very high | 89.6 | Confident | 0 Ų | 0 | 41.4 Ų | 41.4 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -59.5 | -43.4 | 177.3 | -73 | 168.1 | 0 | 0 | 0 | 110.8 | I114 H115 H120 D121 Y122 W126 Q154 L155 N158 | I114-I118 HydrophobicContact CD1-CD1 4.49Å; I114-I118 HydrophobicContact CG1-CD1 4.02Å; I114-I118 HydrophobicContact CG1-CG1 4.29Å; I114-I118 WeakPolarHBondContact O-CB 3.36Å; I114-I118 VanDerWaalsContact O-CG1 3.23Å; I114-I118 WeakPolarHBondContact O-CG1 3.37Å; I114-I118 PolarHBondContact O-N 3.39Å; H115-I118 PolarHBondContact O-N 3.18Å; I118-H120 VanDerWaalsContact C-N 3.26Å; I118-H120 PolarHBondContact O-N 3.38Å; I118-D121 PolarHBondContact O-N 3.36Å; I118-Y122 WeakPolarHBondContact O-CB 3.48Å; I118-Y122 PolarHBondContact O-N 2.83Å; I118-W126 HydrophobicContact CG1-CZ3 4.23Å; I118-Q154 HydrophobicContact CD1-CB 4.13Å; I118-L155 HydrophobicContact CD1-CB 4.28Å; I118-L155 HydrophobicContact CG2-CD1 3.82Å; I118-N158 HydrophobicContact CG2-CB 3.93Å |
| 119 | K | 90.3 | Very high | 89.7 | Confident | 122 Ų | 122 | 37.7 Ų | 37.7 | 53% | 0.53 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -55.3 | -39.9 | -179.2 | -178.1 | 177.3 | 178.5 | 179.8 | 0 | 113.2 | H115 H116 I117 N158 | H115-K119 PolarHBondContact O-N 3Å; H116-K119 PolarHBondContact O-N 3.21Å; I117-K119 VanDerWaalsContact C-N 3.32Å; I117-K119 PolarHBondContact O-N 3.11Å; K119-N158 WeakPolarHBondContact CA-OD1 3.39Å; K119-N158 WeakPolarHBondContact CB-OD1 3.33Å |
| 120 | H | 88.4 | Confident | 89.7 | Confident | 87 Ų | 87 | 37 Ų | 37 | 40% | 0.403 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -95.6 | -30 | -176.9 | -67.3 | -68.9 | 0 | 0 | 0 | 113.9 | H116 I117 I118 | H116-H120 PolarHBondContact O-CD2 3.11Å; H116-H120 VanDerWaalsContact O-CD2 3.26Å; H116-H120 PolarHBondContact O-N 2.97Å; I117-H120 PolarHBondContact O-N 3.23Å; I118-H120 VanDerWaalsContact C-N 3.26Å; I118-H120 PolarHBondContact O-N 3.38Å |
| 121 | D | 89.3 | Confident | 89.6 | Confident | 6 Ų | 6 | 42.5 Ų | 42.5 | 3% | 0.032 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -107.5 | -19.2 | -169.7 | -66.7 | -18.7 | 0 | 0 | 0 | 114.4 | W68 I117 I118 G124 K125 W126 | W68-D121 PolarHBondContact NE1-OD2 3.43Å; I117-D121 HydrophobicContact CG2-CB 4.5Å; I117-D121 VanDerWaalsContact O-CB 3.3Å; I117-D121 WeakPolarHBondContact O-CB 3.34Å; I117-D121 PolarHBondContact O-N 3.38Å; I118-D121 PolarHBondContact O-N 3.36Å; D121-G124 PolarHBondContact O-N 3.25Å; D121-K125 HydrophobicContact CB-CB 4.01Å; D121-K125 CarbonylContact O-C 3.51Å; D121-K125 WeakPolarHBondContact O-CA 3.4Å; D121-K125 PolarHBondContact O-N 3.48Å; D121-W126 HydrophobicContact CB-CB 3.88Å; D121-W126 PolarHBondContact O-N 3.05Å |
| 122 | Y | 89 | Confident | 89.6 | Confident | 23 Ų | 23 | 43.7 Ų | 43.7 | 9% | 0.09 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -99.6 | 135 | 177.7 | -177 | -90.8 | 0 | 0 | 0 | 111.1 | I118 I129 V130 L155 Y159 P169 | I118-Y122 WeakPolarHBondContact O-CB 3.48Å; I118-Y122 PolarHBondContact O-N 2.83Å; Y122-I129 HydrophobicContact CD2-CG2 3.69Å; Y122-I129 HydrophobicContact CE2-CG2 4.12Å; Y122-V130 HydrophobicContact CE2-CG2 3.7Å; Y122-L155 HydrophobicContact CD1-CD1 3.53Å; Y122-L155 HydrophobicContact CD2-CD1 4.24Å; Y122-L155 HydrophobicContact CE1-CD1 3.63Å; Y122-L155 HydrophobicContact CE2-CD1 4.32Å; Y122-L155 HydrophobicContact CG-CD1 3.86Å; Y122-Y159 AromaticContact CD1-CE2 3.72Å; Y122-Y159 HydrophobicContact CD1-CE2 3.72Å; Y122-Y159 AromaticContact CD1-CZ 3.88Å; Y122-Y159 WeakPolarHBondContact CD1-OH 3.23Å; Y122-Y159 AromaticContact CE1-CE2 3.74Å; Y122-Y159 HydrophobicContact CE1-CE2 3.74Å; Y122-Y159 AromaticContact CE1-CZ 3.89Å; Y122-Y159 VanDerWaalsContact CE1-OH 3.27Å; Y122-Y159 WeakPolarHBondContact CE1-OH 3.41Å; Y122-P169 HydrophobicContact CE1-CB 3.99Å; Y122-P169 PolarHBondContact OH-O 2.98Å |
| 123 | P | 83.3 | Confident | 89.7 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 36% | 0.364 | 23% | 0.227 | S | C | . | . | T | Hydrogen-bonded Turn | cis | -91.8 | -3.6 | 6.3 | 38.3 | -37.4 | 0 | 0 | 0 | 114.6 | T127 Y159 P169 | P123-T127 WeakPolarHBondContact O-CG2 3.46Å; P123-Y159 WeakPolarHBondContact CD-OH 3.34Å; P123-P169 HydrophobicContact CB-CB 3.83Å; P123-P169 HydrophobicContact CB-CG 4.25Å; P123-P169 HydrophobicContact CG-CB 3.9Å; P123-P169 HydrophobicContact CG-CG 3.75Å |
| 124 | G | 84.6 | Confident | 89.6 | Confident | 68 Ų | 68 | 41.9 Ų | 41.9 | 70% | 0.701 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -71.9 | -60.6 | -168.1 | 0 | 0 | 0 | 0 | 0 | 115.3 | D121 | D121-G124 PolarHBondContact O-N 3.25Š|
| 125 | K | 83.6 | Confident | 89.4 | Confident | 116 Ų | 116 | 48.5 Ų | 48.5 | 50% | 0.504 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.6 | -22.1 | -171.9 | -64.4 | 177.3 | -179 | 175.1 | 0 | 113.5 | D70 R92 D121 | D70-K125 IonicContact OD2-NZ 3.74Å; D70-K125 PolarHBondContact OD2-NZ 3.41Å; R92-K125 PolarHBondContact NH1-O 2.88Å; D121-K125 HydrophobicContact CB-CB 4.01Å; D121-K125 CarbonylContact O-C 3.51Å; D121-K125 WeakPolarHBondContact O-CA 3.4Å; D121-K125 PolarHBondContact O-N 3.48Å |
| 126 | W | 87.7 | Confident | 89.3 | Confident | 1 Ų | 1 | 48.8 Ų | 48.8 | 0% | 0.004 | 26% | 0.261 | C | S | . | . | trans | -135.2 | 72.6 | -173.6 | -166.4 | 30.7 | 0 | 0 | 0 | 114.3 | R92 I95 I114 I117 I118 D121 S128 I129 | R92-W126 HydrophobicContact CB-CD2 4.19Å; R92-W126 HydrophobicContact CB-CG 4.49Å; R92-W126 HydrophobicContact CB-CZ2 3.98Å; R92-W126 HydrophobicContact CG-CD2 3.83Å; R92-W126 HydrophobicContact CG-CE3 4.17Å; R92-W126 HydrophobicContact CG-CG 4.15Å; R92-W126 HydrophobicContact CG-CZ2 4.26Å; R92-W126 WeakPolarHBondContact O-CZ2 3.47Å; I95-W126 HydrophobicContact CG2-CH2 3.72Å; I95-W126 HydrophobicContact CG2-CZ2 4.27Å; I114-W126 HydrophobicContact CD1-CH2 4.04Å; I114-W126 HydrophobicContact CD1-CZ3 4.49Å; I114-W126 HydrophobicContact CG1-CH2 3.94Å; I114-W126 HydrophobicContact CG1-CZ3 3.99Å; I117-W126 HydrophobicContact CB-CZ3 4.11Å; I117-W126 HydrophobicContact CG2-CE3 3.49Å; I117-W126 VanDerWaalsContact CG2-CE3 3.49Å; I117-W126 HydrophobicContact CG2-CH2 4.38Å; I117-W126 HydrophobicContact CG2-CZ3 3.4Å; I117-W126 VanDerWaalsContact CG2-CZ3 3.4Å; I118-W126 HydrophobicContact CG1-CZ3 4.23Å; D121-W126 HydrophobicContact CB-CB 3.88Å; D121-W126 PolarHBondContact O-N 3.05Å; W126-S128 PolarHBondContact NE1-OG 3.32Å; W126-S128 VanDerWaalsContact NE1-OG 3.07Å; W126-I129 HydrophobicContact CD2-CB 4.18Å; W126-I129 HydrophobicContact CE3-CB 4.43Å; W126-I129 HydrophobicContact CH2-CD1 3.97Å; W126-I129 HydrophobicContact CH2-CG1 4.42Å; W126-I129 HydrophobicContact CZ2-CB 4.28Å; W126-I129 HydrophobicContact CZ2-CD1 4.04Å; W126-I129 VanDerWaalsContact O-CG2 3.32Å; W126-I129 WeakPolarHBondContact O-CG2 3.39Å | ||
| 127 | T | 85.8 | Confident | 89.2 | Confident | 91 Ų | 91 | 47 Ų | 47 | 56% | 0.558 | 25% | 0.253 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -28.6 | 177.4 | 52.2 | 0 | 0 | 0 | 0 | 114 | P123 I129 V130 | P123-T127 WeakPolarHBondContact O-CG2 3.46Å; T127-I129 PolarHBondContact O-N 2.77Å; T127-V130 PolarHBondContact O-N 3.43Å |
| 128 | S | 88.4 | Confident | 89 | Confident | 41 Ų | 41 | 53 Ų | 53 | 29% | 0.287 | 28% | 0.281 | S | S | . | . | H | α-helix | trans | -62.4 | -13.7 | -175.7 | 60 | 0 | 0 | 0 | 0 | 114.8 | W126 V130 D131 K132 | W126-S128 PolarHBondContact NE1-OG 3.32Å; W126-S128 VanDerWaalsContact NE1-OG 3.07Å; S128-V130 VanDerWaalsContact C-N 3.25Å; S128-V130 PolarHBondContact O-N 3.05Å; S128-D131 PolarHBondContact O-N 3.31Å; S128-K132 PolarHBondContact O-N 3.44Å |
| 129 | I | 91.5 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.4 Ų | 54.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -59.8 | -37.7 | 176 | -174.5 | 55 | 0 | 0 | 0 | 111.6 | V96 I114 Y122 W126 T127 K132 I133 | V96-I129 HydrophobicContact CG2-CD1 3.54Å; I114-I129 HydrophobicContact CD1-CD1 4.03Å; Y122-I129 HydrophobicContact CD2-CG2 3.69Å; Y122-I129 HydrophobicContact CE2-CG2 4.12Å; W126-I129 HydrophobicContact CD2-CB 4.18Å; W126-I129 HydrophobicContact CE3-CB 4.43Å; W126-I129 HydrophobicContact CH2-CD1 3.97Å; W126-I129 HydrophobicContact CH2-CG1 4.42Å; W126-I129 HydrophobicContact CZ2-CB 4.28Å; W126-I129 HydrophobicContact CZ2-CD1 4.04Å; W126-I129 VanDerWaalsContact O-CG2 3.32Å; W126-I129 WeakPolarHBondContact O-CG2 3.39Å; T127-I129 PolarHBondContact O-N 2.77Å; I129-K132 PolarHBondContact O-N 3.27Å; I129-I133 HydrophobicContact CD1-CD1 4.17Å; I129-I133 HydrophobicContact CD1-CG1 4.3Å; I129-I133 HydrophobicContact CG1-CD1 3.94Å; I129-I133 VanDerWaalsContact O-CG1 3.26Å; I129-I133 WeakPolarHBondContact O-CG1 3.4Å; I129-I133 PolarHBondContact O-N 3.03Å |
| 130 | V | 91.9 | Very high | 88.3 | Confident | 21 Ų | 21 | 55.4 Ų | 55.4 | 13% | 0.127 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65 | -44.5 | 177.8 | 178.7 | 0 | 0 | 0 | 0 | 110.1 | Y122 T127 S128 K132 I133 G134 L155 A173 F177 | Y122-V130 HydrophobicContact CE2-CG2 3.7Å; T127-V130 PolarHBondContact O-N 3.43Å; S128-V130 VanDerWaalsContact C-N 3.25Å; S128-V130 PolarHBondContact O-N 3.05Å; V130-K132 PolarHBondContact O-N 2.89Å; V130-I133 PolarHBondContact O-N 2.8Å; V130-G134 PolarHBondContact O-N 3.2Å; V130-L155 HydrophobicContact CG2-CD2 4.48Å; V130-A173 HydrophobicContact CG1-CB 4.32Å; V130-A173 HydrophobicContact CG2-CB 4.21Å; V130-F177 HydrophobicContact CB-CZ 4.36Å; V130-F177 HydrophobicContact CG1-CE2 3.97Å; V130-F177 HydrophobicContact CG1-CZ 3.6Å; V130-F177 WeakPolarHBondContact O-CZ 3.46Å |
| 131 | D | 91.4 | Very high | 87.9 | Confident | 117 Ų | 117 | 55.1 Ų | 55.1 | 63% | 0.626 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -62.4 | -43.3 | 177.8 | -61.2 | -42 | 0 | 0 | 0 | 111.9 | S128 G134 F135 | S128-D131 PolarHBondContact O-N 3.31Å; D131-G134 PolarHBondContact O-N 3.01Å; D131-F135 WeakPolarHBondContact O-CB 3.49Å; D131-F135 PolarHBondContact O-N 3.21Å |
| 132 | K | 90.9 | Very high | 87.3 | Confident | 36 Ų | 36 | 57.7 Ų | 57.7 | 16% | 0.157 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.5 | -44.1 | 176.1 | -76.4 | -170.1 | 169.1 | -159.5 | 0 | 112.1 | D93 V96 E97 S128 I129 V130 G134 F135 Y136 | D93-K132 PolarHBondContact O-NZ 3.46Å; V96-K132 HydrophobicContact CB-CD 4.28Å; V96-K132 HydrophobicContact CG2-CD 4.1Å; E97-K132 IonicContact OE1-NZ 3.92Å; E97-K132 IonicContact OE2-NZ 3.78Å; E97-K132 PolarHBondContact OE2-NZ 2.82Å; S128-K132 PolarHBondContact O-N 3.44Å; I129-K132 PolarHBondContact O-N 3.27Å; V130-K132 PolarHBondContact O-N 2.89Å; K132-G134 VanDerWaalsContact C-N 3.35Å; K132-F135 PolarHBondContact O-N 2.99Å; K132-Y136 WeakPolarHBondContact O-CD2 3.34Å; K132-Y136 PolarHBondContact O-N 3.35Å; K132-Y136 VanDerWaalsContact O-N 3.11Å |
| 133 | I | 92.2 | Very high | 86.8 | Confident | 1 Ų | 1 | 62.5 Ų | 62.5 | 1% | 0.005 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -60 | -47.1 | 175.7 | -68.7 | 166.6 | 0 | 0 | 0 | 110.4 | I129 V130 F135 L137 I148 C151 L152 L155 F177 | I129-I133 HydrophobicContact CD1-CD1 4.17Å; I129-I133 HydrophobicContact CD1-CG1 4.3Å; I129-I133 HydrophobicContact CG1-CD1 3.94Å; I129-I133 VanDerWaalsContact O-CG1 3.26Å; I129-I133 WeakPolarHBondContact O-CG1 3.4Å; I129-I133 PolarHBondContact O-N 3.03Å; V130-I133 PolarHBondContact O-N 2.8Å; I133-F135 PolarHBondContact O-N 3.4Å; I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 PolarHBondContact O-N 3.24Å; I133-I148 HydrophobicContact CB-CD1 4.31Å; I133-I148 HydrophobicContact CB-CG1 4.23Å; I133-I148 HydrophobicContact CG1-CD1 3.85Å; I133-I148 HydrophobicContact CG1-CG1 4.14Å; I133-I148 HydrophobicContact CG2-CG1 4.2Å; I133-C151 HydrophobicContact CD1-CB 4.45Å; I133-C151 HydrophobicContact CG1-CB 4.44Å; I133-L152 HydrophobicContact CD1-CB 4.31Å; I133-L152 HydrophobicContact CD1-CD1 4.46Å; I133-L152 HydrophobicContact CG2-CB 4.13Å; I133-L152 HydrophobicContact CG2-CD1 4.39Å; I133-L152 HydrophobicContact CG2-CD2 4.37Å; I133-L155 HydrophobicContact CD1-CD2 4.36Å; I133-F177 HydrophobicContact CB-CE1 4.19Å; I133-F177 HydrophobicContact CB-CE2 4.37Å; I133-F177 HydrophobicContact CB-CZ 3.74Å; I133-F177 HydrophobicContact CG2-CD1 4.22Å; I133-F177 HydrophobicContact CG2-CD2 4.46Å; I133-F177 HydrophobicContact CG2-CE1 3.7Å; I133-F177 HydrophobicContact CG2-CE2 3.93Å; I133-F177 HydrophobicContact CG2-CZ 3.52Å |
| 134 | G | 91.1 | Very high | 86.9 | Confident | 10 Ų | 10 | 59.9 Ų | 59.9 | 10% | 0.103 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -57.9 | -47.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.6 | V130 D131 K132 L137 Q138 | V130-G134 PolarHBondContact O-N 3.2Å; D131-G134 PolarHBondContact O-N 3.01Å; K132-G134 VanDerWaalsContact C-N 3.35Å; G134-L137 PolarHBondContact O-N 2.98Å; G134-Q138 WeakPolarHBondContact O-CG 3.43Å; G134-Q138 PolarHBondContact O-N 2.84Å; G134-Q138 VanDerWaalsContact O-N 3.07Å |
| 135 | F | 91.5 | Very high | 87.2 | Confident | 138 Ų | 138 | 57.3 Ų | 57.3 | 61% | 0.605 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.1 | -53 | -179 | 178 | -99.1 | 0 | 0 | 0 | 112.9 | D131 K132 I133 L137 Q138 S139 | D131-F135 WeakPolarHBondContact O-CB 3.49Å; D131-F135 PolarHBondContact O-N 3.21Å; K132-F135 PolarHBondContact O-N 2.99Å; I133-F135 PolarHBondContact O-N 3.4Å; F135-L137 PolarHBondContact O-N 3.41Å; F135-Q138 PolarHBondContact O-N 3.43Å; F135-S139 PolarHBondContact O-N 3.37Å; F135-S139 VanDerWaalsContact O-N 3.13Å |
| 136 | Y | 90 | Very high | 87.4 | Confident | 50 Ų | 50 | 53.2 Ų | 53.2 | 20% | 0.196 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -71.7 | -30.1 | -177.7 | -74.6 | -69.1 | 0 | 0 | 0 | 112.8 | V96 E97 I100 K132 Q138 S139 A144 I148 | V96-Y136 HydrophobicContact CG1-CD2 4.22Å; V96-Y136 HydrophobicContact CG1-CE2 4.29Å; E97-Y136 WeakPolarHBondContact CG-OH 3.49Å; E97-Y136 WeakPolarHBondContact OE1-CE2 3.28Å; E97-Y136 PolarHBondContact OE1-OH 3.02Å; I100-Y136 HydrophobicContact CD1-CD1 3.94Å; I100-Y136 HydrophobicContact CD1-CD2 3.9Å; I100-Y136 HydrophobicContact CD1-CE1 4.17Å; I100-Y136 HydrophobicContact CD1-CE2 4.13Å; I100-Y136 HydrophobicContact CD1-CG 3.81Å; K132-Y136 WeakPolarHBondContact O-CD2 3.34Å; K132-Y136 PolarHBondContact O-N 3.35Å; K132-Y136 VanDerWaalsContact O-N 3.11Å; Y136-Q138 VanDerWaalsContact C-N 3.32Å; Y136-S139 WeakPolarHBondContact O-CB 3.4Å; Y136-S139 PolarHBondContact O-N 3.35Å; Y136-S139 PolarHBondContact O-OG 2.88Å; Y136-A144 HydrophobicContact CD1-CB 4.49Å; Y136-I148 HydrophobicContact CD2-CD1 4.18Å |
| 137 | L | 88.2 | Confident | 87.5 | Confident | 3 Ų | 3 | 53.3 Ų | 53.3 | 2% | 0.016 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -70.3 | -28.8 | 175.2 | -169 | 60.6 | 0 | 0 | 0 | 112 | I133 G134 F135 I148 L149 M180 L181 R184 | I133-L137 WeakPolarHBondContact O-CB 3.27Å; I133-L137 PolarHBondContact O-N 3.24Å; G134-L137 PolarHBondContact O-N 2.98Å; F135-L137 PolarHBondContact O-N 3.41Å; L137-I148 HydrophobicContact CB-CG2 4.49Å; L137-I148 HydrophobicContact CD1-CG2 4.39Å; L137-L149 HydrophobicContact CD1-CD2 4.07Å; L137-M180 HydrophobicContact CB-CE 3.71Å; L137-M180 HydrophobicContact CD2-CB 4.05Å; L137-M180 HydrophobicContact CD2-CE 3.85Å; L137-M180 HydrophobicContact CG-CE 3.81Å; L137-L181 HydrophobicContact CD2-CD2 3.98Å; L137-L181 HydrophobicContact CD2-CG 4.45Å; L137-R184 HydrophobicContact CD1-CG 4.32Å; L137-R184 PolarHBondContact O-NE 3.03Å; L137-R184 PolarHBondContact O-NH2 3.12Å |
| 138 | Q | 87.6 | Confident | 87.9 | Confident | 127 Ų | 127 | 49 Ų | 49 | 59% | 0.593 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -80.3 | -17.4 | 171.3 | -68.5 | -179.9 | 5.5 | 0 | 0 | 113.8 | G134 F135 Y136 M180 R184 | G134-Q138 WeakPolarHBondContact O-CG 3.43Å; G134-Q138 PolarHBondContact O-N 2.84Å; G134-Q138 VanDerWaalsContact O-N 3.07Å; F135-Q138 PolarHBondContact O-N 3.43Å; Y136-Q138 VanDerWaalsContact C-N 3.32Å; Q138-M180 HydrophobicContact CG-CE 3.37Å; Q138-M180 HydrophobicContact CG-SD 4.36Å; Q138-R184 VanDerWaalsContact CA-NH2 3.29Å; Q138-R184 PolarHBondContact O-NH2 3.18Å |
| 139 | S | 87.3 | Confident | 88.2 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 20% | 0.203 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -66.9 | 148 | 178.3 | 80.3 | 0 | 0 | 0 | 0 | 112.3 | F135 Y136 N141 W145 R184 | F135-S139 PolarHBondContact O-N 3.37Å; F135-S139 VanDerWaalsContact O-N 3.13Å; Y136-S139 WeakPolarHBondContact O-CB 3.4Å; Y136-S139 PolarHBondContact O-N 3.35Å; Y136-S139 PolarHBondContact O-OG 2.88Å; S139-N141 PolarHBondContact O-N 3.32Å; S139-W145 PolarHBondContact O-NE1 3.35Å; S139-R184 PolarHBondContact O-NH2 3Å |
| 140 | D | 79.6 | Confident | 88.3 | Confident | 142 Ų | 142 | 48.6 Ų | 48.6 | 76% | 0.759 | 25% | 0.253 | S | S | * | . | S | Bend | trans | -78.8 | 7.6 | 176.2 | -66.1 | -37.6 | 0 | 0 | 0 | 113.3 | S142 | D140-S142 PolarHBondContact O-N 2.87Š|
| 141 | N | 81.1 | Confident | 88.4 | Confident | 81 Ų | 81 | 47.6 Ų | 47.6 | 43% | 0.433 | 25% | 0.247 | S | C | . | . | trans | -85.2 | 96.6 | -179 | -174.8 | 3.8 | 0 | 0 | 0 | 111 | S139 L143 A144 W145 | S139-N141 PolarHBondContact O-N 3.32Å; N141-L143 PolarHBondContact O-N 3.4Å; N141-L143 WeakPolarHBondContact OD1-CB 3.43Å; N141-L143 PolarHBondContact OD1-N 3.28Å; N141-A144 HydrophobicContact CB-CB 4.16Å; N141-A144 WeakPolarHBondContact O-CB 3.19Å; N141-A144 PolarHBondContact O-N 3.46Å; N141-W145 PolarHBondContact O-NE1 3.44Å | ||
| 142 | S | 76.7 | Confident | 88.6 | Confident | 61 Ų | 61 | 42 Ų | 42 | 43% | 0.427 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -56.8 | -32.7 | 179.3 | 58.5 | 0 | 0 | 0 | 0 | 113.7 | D140 A144 W145 | D140-S142 PolarHBondContact O-N 2.87Å; S142-A144 PolarHBondContact O-N 3.41Å; S142-W145 PolarHBondContact O-N 3.47Å |
| 143 | L | 78.5 | Confident | 88.8 | Confident | 124 Ų | 124 | 41.7 Ų | 41.7 | 65% | 0.649 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -66.7 | -25.8 | 178.5 | -60.9 | 172.7 | 0 | 0 | 0 | 112.3 | N141 | N141-L143 PolarHBondContact O-N 3.4Å; N141-L143 WeakPolarHBondContact OD1-CB 3.43Å; N141-L143 PolarHBondContact OD1-N 3.28Å |
| 144 | A | 86.1 | Confident | 88.9 | Confident | 1 Ų | 1 | 42.6 Ų | 42.6 | 1% | 0.008 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -81.6 | -22.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 113.4 | I100 Y136 N141 S142 L146 G147 I148 | I100-A144 HydrophobicContact CD1-CB 4.36Å; I100-A144 HydrophobicContact CG1-CB 4.47Å; I100-A144 HydrophobicContact CG2-CB 3.77Å; Y136-A144 HydrophobicContact CD1-CB 4.49Å; N141-A144 HydrophobicContact CB-CB 4.16Å; N141-A144 WeakPolarHBondContact O-CB 3.19Å; N141-A144 PolarHBondContact O-N 3.46Å; S142-A144 PolarHBondContact O-N 3.41Å; A144-L146 PolarHBondContact O-N 3.12Å; A144-G147 PolarHBondContact O-N 3.07Å; A144-I148 PolarHBondContact O-N 2.96Å |
| 145 | W | 89.3 | Confident | 89.1 | Confident | 14 Ų | 14 | 42.1 Ų | 42.1 | 5% | 0.053 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -63.7 | -43.4 | -171.6 | -65.3 | -14.6 | 0 | 0 | 0 | 113 | S139 N141 S142 G147 I148 L149 L188 I199 | S139-W145 PolarHBondContact O-NE1 3.35Å; N141-W145 PolarHBondContact O-NE1 3.44Å; S142-W145 PolarHBondContact O-N 3.47Å; W145-G147 PolarHBondContact O-N 3.25Å; W145-I148 WeakPolarHBondContact O-CG2 3.3Å; W145-I148 PolarHBondContact O-N 3.31Å; W145-L149 WeakPolarHBondContact O-CB 3.45Å; W145-L149 WeakPolarHBondContact O-CD1 3.32Å; W145-L149 WeakPolarHBondContact O-CG 3.34Å; W145-L149 PolarHBondContact O-N 3.17Å; W145-L188 HydrophobicContact CE3-CD2 4.03Å; W145-L188 HydrophobicContact CZ3-CD2 3.7Å; W145-L188 HydrophobicContact CZ3-CG 4.36Å; W145-I199 HydrophobicContact CB-CD1 4.07Å; W145-I199 HydrophobicContact CB-CG2 4.33Å; W145-I199 HydrophobicContact CE3-CD1 4.12Å |
| 146 | L | 89.1 | Confident | 89.2 | Confident | 30 Ų | 30 | 35.5 Ų | 35.5 | 16% | 0.157 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -62.9 | -45.7 | 178.5 | -177.7 | 62.8 | 0 | 0 | 0 | 111.5 | A144 L149 L150 L198 I199 Q202 | A144-L146 PolarHBondContact O-N 3.12Å; L146-L149 PolarHBondContact O-N 3.46Å; L146-L150 HydrophobicContact CG-CD1 4.45Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.01Å; L146-L150 VanDerWaalsContact O-N 3.07Å; L146-L198 HydrophobicContact CD1-CD2 4.42Å; L146-L198 HydrophobicContact CD1-CG 4.17Å; L146-L198 HydrophobicContact CD2-CD2 3.69Å; L146-L198 HydrophobicContact CD2-CG 4.33Å; L146-I199 HydrophobicContact CB-CG1 4.21Å; L146-Q202 HydrophobicContact CD1-CB 4.24Å; L146-Q202 HydrophobicContact CD1-CG 4.41Å |
| 147 | G | 89.8 | Confident | 89.2 | Confident | 2 Ų | 2 | 37.2 Ų | 37.2 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -61 | -45.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | I99 A144 W145 L150 C151 | I99-G147 WeakPolarHBondContact CG2-O 3.26Å; A144-G147 PolarHBondContact O-N 3.07Å; W145-G147 PolarHBondContact O-N 3.25Å; G147-L150 WeakPolarHBondContact O-CB 3.47Å; G147-L150 PolarHBondContact O-N 3.24Å; G147-C151 PolarHBondContact O-N 3.35Å; G147-C151 PolarHBondContact O-SG 3.5Å |
| 148 | I | 93.8 | Very high | 89.4 | Confident | 1 Ų | 1 | 38 Ų | 38 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -71.2 | -34.2 | -179.1 | -159.9 | 65.4 | 0 | 0 | 0 | 113 | V96 I133 Y136 L137 A144 W145 L150 C151 L152 | V96-I148 HydrophobicContact CG1-CD1 3.44Å; V96-I148 VanDerWaalsContact CG1-CD1 3.44Å; I133-I148 HydrophobicContact CB-CD1 4.31Å; I133-I148 HydrophobicContact CB-CG1 4.23Å; I133-I148 HydrophobicContact CG1-CD1 3.85Å; I133-I148 HydrophobicContact CG1-CG1 4.14Å; I133-I148 HydrophobicContact CG2-CG1 4.2Å; Y136-I148 HydrophobicContact CD2-CD1 4.18Å; L137-I148 HydrophobicContact CB-CG2 4.49Å; L137-I148 HydrophobicContact CD1-CG2 4.39Å; A144-I148 PolarHBondContact O-N 2.96Å; W145-I148 WeakPolarHBondContact O-CG2 3.3Å; W145-I148 PolarHBondContact O-N 3.31Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 2.94Å; I148-C151 HydrophobicContact CD1-CB 4.44Å; I148-C151 WeakPolarHBondContact O-CB 3.42Å; I148-C151 PolarHBondContact O-N 2.99Å; I148-L152 PolarHBondContact O-N 3.43Å |
| 149 | L | 94.4 | Very high | 89.5 | Confident | 2 Ų | 2 | 32.1 Ų | 32.1 | 1% | 0.01 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -68.3 | -29.3 | 174.4 | -70.6 | 171.5 | 0 | 0 | 0 | 112.2 | L137 W145 L146 L152 Y153 L181 I199 Q202 I203 I206 | L137-L149 HydrophobicContact CD1-CD2 4.07Å; W145-L149 WeakPolarHBondContact O-CB 3.45Å; W145-L149 WeakPolarHBondContact O-CD1 3.32Å; W145-L149 WeakPolarHBondContact O-CG 3.34Å; W145-L149 PolarHBondContact O-N 3.17Å; L146-L149 PolarHBondContact O-N 3.46Å; L149-L152 PolarHBondContact O-N 2.92Å; L149-Y153 VanDerWaalsContact O-CB 3.29Å; L149-Y153 WeakPolarHBondContact O-CB 3.28Å; L149-Y153 PolarHBondContact O-N 3.49Å; L149-L181 HydrophobicContact CD2-CD2 3.36Å; L149-I199 HydrophobicContact CD1-CG2 3.56Å; L149-Q202 HydrophobicContact CB-CG 3.73Å; L149-Q202 HydrophobicContact CD1-CB 4.49Å; L149-I203 HydrophobicContact CD1-CD1 4.37Å; L149-I203 HydrophobicContact CD1-CG1 3.74Å; L149-I203 HydrophobicContact CD2-CG1 4.1Å; L149-I206 HydrophobicContact CB-CD1 4.05Å; L149-I206 HydrophobicContact CD2-CD1 3.73Å; L149-I206 HydrophobicContact CG-CD1 4.47Å; L149-I206 WeakPolarHBondContact O-CD1 3.49Å |
| 150 | L | 93.3 | Very high | 89.3 | Confident | 31 Ų | 31 | 31.3 Ų | 31.3 | 16% | 0.162 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.8 | -40.6 | 170.5 | -70.7 | 166.8 | 0 | 0 | 0 | 111.1 | R107 T111 L146 G147 I148 Y153 Q154 | R107-L150 VanDerWaalsContact CD-CD1 3.49Å; R107-L150 HydrophobicContact CG-CD1 4.06Å; T111-L150 HydrophobicContact CG2-CB 4.4Å; L146-L150 HydrophobicContact CG-CD1 4.45Å; L146-L150 WeakPolarHBondContact O-CG 3.41Å; L146-L150 PolarHBondContact O-N 3.01Å; L146-L150 VanDerWaalsContact O-N 3.07Å; G147-L150 WeakPolarHBondContact O-CB 3.47Å; G147-L150 PolarHBondContact O-N 3.24Å; I148-L150 VanDerWaalsContact C-N 3.29Å; I148-L150 PolarHBondContact O-N 2.94Å; L150-Y153 PolarHBondContact O-N 2.85Å; L150-Q154 WeakPolarHBondContact O-CG 3.25Å; L150-Q154 PolarHBondContact O-N 3Å |
| 151 | C | 94.7 | Very high | 89.5 | Confident | 0 Ų | 0 | 32.8 Ų | 32.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -61.7 | -47.1 | 173 | -59.9 | 0 | 0 | 0 | 0 | 111.7 | I99 I114 I133 G147 I148 Y153 Q154 L155 | I99-C151 VanDerWaalsContact CD1-SG 3.59Å; I114-C151 HydrophobicContact CD1-CB 4.06Å; I133-C151 HydrophobicContact CD1-CB 4.45Å; I133-C151 HydrophobicContact CG1-CB 4.44Å; G147-C151 PolarHBondContact O-N 3.35Å; G147-C151 PolarHBondContact O-SG 3.5Å; I148-C151 HydrophobicContact CD1-CB 4.44Å; I148-C151 WeakPolarHBondContact O-CB 3.42Å; I148-C151 PolarHBondContact O-N 2.99Å; C151-Y153 VanDerWaalsContact C-N 3.29Å; C151-Y153 PolarHBondContact O-N 3.05Å; C151-Q154 PolarHBondContact O-N 2.98Å; C151-L155 PolarHBondContact O-N 3.44Å; C151-L155 VanDerWaalsContact O-N 3.08Å |
| 152 | L | 95.7 | Very high | 89.7 | Confident | 0 Ų | 0 | 32.6 Ų | 32.6 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.7 | -38.4 | 176.5 | 179.6 | 56.5 | 0 | 0 | 0 | 111.9 | I133 I148 L149 Q154 L155 V156 M174 F177 L181 I206 | I133-L152 HydrophobicContact CD1-CB 4.31Å; I133-L152 HydrophobicContact CD1-CD1 4.46Å; I133-L152 HydrophobicContact CG2-CB 4.13Å; I133-L152 HydrophobicContact CG2-CD1 4.39Å; I133-L152 HydrophobicContact CG2-CD2 4.37Å; I148-L152 PolarHBondContact O-N 3.43Å; L149-L152 PolarHBondContact O-N 2.92Å; L152-Q154 VanDerWaalsContact C-N 3.35Å; L152-Q154 PolarHBondContact O-N 3.21Å; L152-L155 HydrophobicContact CD1-CD2 4.21Å; L152-L155 WeakPolarHBondContact O-CB 3.34Å; L152-L155 PolarHBondContact O-N 3.2Å; L152-V156 HydrophobicContact CD1-CG2 4.49Å; L152-V156 PolarHBondContact O-N 3.45Å; L152-M174 HydrophobicContact CD1-SD 4.14Å; L152-F177 HydrophobicContact CD1-CD2 3.55Å; L152-F177 HydrophobicContact CD1-CE2 3.88Å; L152-F177 HydrophobicContact CD1-CG 4.38Å; L152-F177 HydrophobicContact CD2-CB 4.19Å; L152-F177 HydrophobicContact CD2-CD2 4.24Å; L152-F177 HydrophobicContact CD2-CG 4.27Å; L152-L181 HydrophobicContact CD2-CD1 4.11Å; L152-L181 HydrophobicContact CD2-CD2 4.11Å; L152-L181 HydrophobicContact CD2-CG 4.45Å; L152-I206 HydrophobicContact CB-CD1 4.24Å; L152-I206 HydrophobicContact CD2-CD1 4.11Å; L152-I206 HydrophobicContact CD2-CG2 4.32Å; L152-I206 HydrophobicContact CG-CD1 4.14Å; L152-I206 HydrophobicContact CG-CG2 4.18Å |
| 153 | Y | 95.3 | Very high | 89.8 | Confident | 28 Ų | 28 | 34.4 Ų | 34.4 | 11% | 0.11 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -61.6 | -41.3 | 174.8 | 178.9 | -114.4 | 0 | 0 | 0 | 112.3 | L149 L150 C151 L155 V156 K157 Q202 K205 I206 A209 | L149-Y153 VanDerWaalsContact O-CB 3.29Å; L149-Y153 WeakPolarHBondContact O-CB 3.28Å; L149-Y153 PolarHBondContact O-N 3.49Å; L150-Y153 PolarHBondContact O-N 2.85Å; C151-Y153 VanDerWaalsContact C-N 3.29Å; C151-Y153 PolarHBondContact O-N 3.05Å; Y153-L155 VanDerWaalsContact C-N 3.3Å; Y153-L155 PolarHBondContact O-N 2.96Å; Y153-V156 PolarHBondContact O-N 3.17Å; Y153-K157 HydrophobicContact CE1-CD 4.32Å; Y153-K157 VanDerWaalsContact O-CB 3.22Å; Y153-K157 WeakPolarHBondContact O-CB 3.25Å; Y153-K157 PolarHBondContact O-N 3.13Å; Y153-Q202 VanDerWaalsContact CB-NE2 3.28Å; Y153-K205 HydrophobicContact CD2-CB 4.31Å; Y153-K205 HydrophobicContact CE2-CB 4.16Å; Y153-K205 WeakPolarHBondContact OH-CE 3.47Å; Y153-K205 PolarHBondContact OH-NZ 2.89Å; Y153-I206 HydrophobicContact CD2-CG1 4.09Å; Y153-I206 HydrophobicContact CG-CG1 4.4Å; Y153-A209 HydrophobicContact CE2-CB 3.96Å |
| 154 | Q | 94.5 | Very high | 89.8 | Confident | 20 Ų | 20 | 32.2 Ų | 32.2 | 9% | 0.093 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -65.6 | -34.4 | 174.9 | -61.2 | -45 | -43.1 | 0 | 0 | 112.8 | T111 I114 H115 I118 L150 C151 L152 K157 N158 | T111-Q154 HydrophobicContact CG2-CG 3.52Å; I114-Q154 HydrophobicContact CG2-CB 4.29Å; I114-Q154 HydrophobicContact CG2-CG 4Å; H115-Q154 HydrophobicContact CB-CB 4.12Å; H115-Q154 HydrophobicContact CB-CG 4.04Å; H115-Q154 PolarHBondContact ND1-OE1 2.92Å; H115-Q154 VanDerWaalsContact ND1-OE1 3.15Å; I118-Q154 HydrophobicContact CD1-CB 4.13Å; L150-Q154 WeakPolarHBondContact O-CG 3.25Å; L150-Q154 PolarHBondContact O-N 3Å; C151-Q154 PolarHBondContact O-N 2.98Å; L152-Q154 VanDerWaalsContact C-N 3.35Å; L152-Q154 PolarHBondContact O-N 3.21Å; Q154-K157 PolarHBondContact O-N 3.32Å; Q154-N158 PolarHBondContact O-N 3.36Å |
| 155 | L | 94 | Very high | 89.5 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62 | -48.9 | 173.4 | -176.7 | 65.5 | 0 | 0 | 0 | 111.5 | I118 Y122 V130 I133 C151 L152 Y153 Y159 L170 A173 | I118-L155 HydrophobicContact CD1-CB 4.28Å; I118-L155 HydrophobicContact CG2-CD1 3.82Å; Y122-L155 HydrophobicContact CD1-CD1 3.53Å; Y122-L155 HydrophobicContact CD2-CD1 4.24Å; Y122-L155 HydrophobicContact CE1-CD1 3.63Å; Y122-L155 HydrophobicContact CE2-CD1 4.32Å; Y122-L155 HydrophobicContact CG-CD1 3.86Å; V130-L155 HydrophobicContact CG2-CD2 4.48Å; I133-L155 HydrophobicContact CD1-CD2 4.36Å; C151-L155 PolarHBondContact O-N 3.44Å; C151-L155 VanDerWaalsContact O-N 3.08Å; L152-L155 HydrophobicContact CD1-CD2 4.21Å; L152-L155 WeakPolarHBondContact O-CB 3.34Å; L152-L155 PolarHBondContact O-N 3.2Å; Y153-L155 VanDerWaalsContact C-N 3.3Å; Y153-L155 PolarHBondContact O-N 2.96Å; L155-Y159 HydrophobicContact CD1-CE2 4.49Å; L155-Y159 WeakPolarHBondContact O-CD2 3.12Å; L155-L170 HydrophobicContact CG-CD1 4.42Å; L155-A173 HydrophobicContact CD2-CB 4.47Å |
| 156 | V | 93.6 | Very high | 89.3 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.6 | -45.8 | 176.7 | 177.5 | 0 | 0 | 0 | 0 | 110.9 | L152 Y153 N158 Y159 E160 L170 M174 I206 A209 L210 | L152-V156 HydrophobicContact CD1-CG2 4.49Å; L152-V156 PolarHBondContact O-N 3.45Å; Y153-V156 PolarHBondContact O-N 3.17Å; V156-N158 VanDerWaalsContact C-N 3.27Å; V156-N158 PolarHBondContact O-N 2.85Å; V156-Y159 PolarHBondContact O-N 3.38Å; V156-E160 PolarHBondContact O-N 3.26Å; V156-L170 HydrophobicContact CG1-CD2 4.35Å; V156-L170 HydrophobicContact CG2-CD1 4.01Å; V156-M174 HydrophobicContact CG2-SD 4.05Å; V156-I206 HydrophobicContact CG2-CG2 3.81Å; V156-A209 HydrophobicContact CG1-CB 3.81Å; V156-L210 HydrophobicContact CG1-CB 4.09Å |
| 157 | K | 91.3 | Very high | 89.2 | Confident | 85 Ų | 85 | 42.9 Ų | 42.9 | 37% | 0.37 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -59.7 | -35.4 | -177.7 | -168.9 | 173.6 | -174.2 | -174.5 | 0 | 112.8 | Y153 Q154 Y159 E160 | Y153-K157 HydrophobicContact CE1-CD 4.32Å; Y153-K157 VanDerWaalsContact O-CB 3.22Å; Y153-K157 WeakPolarHBondContact O-CB 3.25Å; Y153-K157 PolarHBondContact O-N 3.13Å; Q154-K157 PolarHBondContact O-N 3.32Å; K157-Y159 PolarHBondContact O-N 3.05Å; K157-Y159 VanDerWaalsContact O-N 3.16Å; K157-E160 WeakPolarHBondContact CG-OE2 3.21Å; K157-E160 WeakPolarHBondContact O-CB 3.33Å; K157-E160 PolarHBondContact O-N 3.04Å |
| 158 | N | 91.3 | Very high | 89.2 | Confident | 19 Ų | 19 | 47.5 Ų | 47.5 | 10% | 0.102 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -58.2 | -28.2 | 176.6 | -177.1 | 57.3 | 0 | 0 | 0 | 113.5 | I118 K119 Q154 V156 | I118-N158 HydrophobicContact CG2-CB 3.93Å; K119-N158 WeakPolarHBondContact CA-OD1 3.39Å; K119-N158 WeakPolarHBondContact CB-OD1 3.33Å; Q154-N158 PolarHBondContact O-N 3.36Å; V156-N158 VanDerWaalsContact C-N 3.27Å; V156-N158 PolarHBondContact O-N 2.85Å |
| 159 | Y | 89.7 | Confident | 89 | Confident | 5 Ų | 5 | 49.2 Ų | 49.2 | 2% | 0.02 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -100.3 | -0.4 | 179.3 | -69 | -90.1 | 0 | 0 | 0 | 113.2 | Y122 P123 L155 V156 K157 Y161 K162 E166 R167 L170 | Y122-Y159 AromaticContact CD1-CE2 3.72Å; Y122-Y159 HydrophobicContact CD1-CE2 3.72Å; Y122-Y159 AromaticContact CD1-CZ 3.88Å; Y122-Y159 WeakPolarHBondContact CD1-OH 3.23Å; Y122-Y159 AromaticContact CE1-CE2 3.74Å; Y122-Y159 HydrophobicContact CE1-CE2 3.74Å; Y122-Y159 AromaticContact CE1-CZ 3.89Å; Y122-Y159 VanDerWaalsContact CE1-OH 3.27Å; Y122-Y159 WeakPolarHBondContact CE1-OH 3.41Å; P123-Y159 WeakPolarHBondContact CD-OH 3.34Å; L155-Y159 HydrophobicContact CD1-CE2 4.49Å; L155-Y159 WeakPolarHBondContact O-CD2 3.12Å; V156-Y159 PolarHBondContact O-N 3.38Å; K157-Y159 PolarHBondContact O-N 3.05Å; K157-Y159 VanDerWaalsContact O-N 3.16Å; Y159-Y161 VanDerWaalsContact C-N 3.28Å; Y159-Y161 PolarHBondContact O-N 3.21Å; Y159-K162 HydrophobicContact CD1-CB 4.32Å; Y159-K162 HydrophobicContact CD1-CD 3.37Å; Y159-K162 HydrophobicContact CD1-CG 4.37Å; Y159-K162 HydrophobicContact CE1-CD 3.79Å; Y159-K162 HydrophobicContact CG-CD 4.06Å; Y159-K162 PolarHBondContact O-N 2.91Å; Y159-E166 WeakPolarHBondContact CE1-O 3.32Å; Y159-R167 PolarHBondContact O-NH1 2.64Å; Y159-L170 HydrophobicContact CD1-CB 4.38Å; Y159-L170 HydrophobicContact CD2-CB 3.86Å; Y159-L170 HydrophobicContact CD2-CD2 4.3Å; Y159-L170 HydrophobicContact CD2-CG 4.44Å; Y159-L170 HydrophobicContact CE2-CB 4.26Å; Y159-L170 HydrophobicContact CG-CB 3.93Å; Y159-L170 HydrophobicContact CG-CD2 4.17Å |
| 160 | E | 84.5 | Confident | 88.9 | Confident | 12 Ų | 12 | 49.1 Ų | 49.1 | 6% | 0.056 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.6 | -47.3 | -172.2 | -175.9 | 170.6 | -176.5 | 0 | 0 | 112.6 | V156 K157 R167 Q212 Y213 | V156-E160 PolarHBondContact O-N 3.26Å; K157-E160 WeakPolarHBondContact CG-OE2 3.21Å; K157-E160 WeakPolarHBondContact O-CB 3.33Å; K157-E160 PolarHBondContact O-N 3.04Å; E160-R167 PolarHBondContact O-NH1 2.88Å; E160-Q212 PolarHBondContact OE1-OE1 3.38Å; E160-Y213 HydrophobicContact CG-CD2 3.69Å; E160-Y213 HydrophobicContact CG-CE2 3.74Å |
| 161 | Y | 83.2 | Confident | 88.8 | Confident | 172 Ų | 172 | 48.2 Ų | 48.2 | 68% | 0.675 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | 6.8 | -178.8 | -55.5 | -78.8 | 0 | 0 | 0 | 114.4 | Y159 Y213 | Y159-Y161 VanDerWaalsContact C-N 3.28Å; Y159-Y161 PolarHBondContact O-N 3.21Å; Y161-Y213 HydrophobicContact CD1-CD2 4.38Å; Y161-Y213 HydrophobicContact CD1-CE2 4Å; Y161-Y213 HydrophobicContact CE1-CD2 4.27Å; Y161-Y213 HydrophobicContact CE1-CE1 4.45Å; Y161-Y213 AromaticContact CE1-CE2 3.46Å; Y161-Y213 HydrophobicContact CE1-CE2 3.46Å; Y161-Y213 VanDerWaalsContact CE1-CE2 3.46Å; Y161-Y213 AromaticContact CE1-CZ 3.57Å; Y161-Y213 AromaticContact CZ-CE2 4Å |
| 162 | K | 84.4 | Confident | 88.6 | Confident | 78 Ų | 78 | 51 Ų | 51 | 34% | 0.339 | 25% | 0.248 | S | C | . | . | S | Bend | trans | -79.6 | 144.4 | 179.3 | -73.7 | -176.4 | 159.4 | -102 | 0 | 111.6 | Y159 E166 R167 | Y159-K162 HydrophobicContact CD1-CB 4.32Å; Y159-K162 HydrophobicContact CD1-CD 3.37Å; Y159-K162 HydrophobicContact CD1-CG 4.37Å; Y159-K162 HydrophobicContact CE1-CD 3.79Å; Y159-K162 HydrophobicContact CG-CD 4.06Å; Y159-K162 PolarHBondContact O-N 2.91Å; K162-E166 HydrophobicContact CB-CB 4.23Å; K162-E166 HydrophobicContact CD-CB 4.42Å; K162-E166 WeakPolarHBondContact CD-OE2 3.35Å; K162-E166 IonicContact NZ-OE2 2.95Å; K162-E166 PolarHBondContact NZ-OE2 3.28Å; K162-R167 HydrophobicContact CB-CG 4.32Å; K162-R167 WeakPolarHBondContact O-CD 3.42Å |
| 163 | K | 80 | Confident | 88.5 | Confident | 98 Ų | 98 | 51.1 Ų | 51.1 | 43% | 0.426 | 25% | 0.249 | S | C | . | . | trans | -56.4 | 149.3 | 174.8 | -66.6 | -169.8 | 179.5 | -168.9 | 0 | 111 | E165 E166 R167 D927 | K163-E165 PolarHBondContact O-N 2.92Å; K163-E165 VanDerWaalsContact O-N 3.1Å; K163-E166 PolarHBondContact O-N 3.39Å; K163-R167 WeakPolarHBondContact O-CG 3.42Å; K163-R167 PolarHBondContact O-N 2.96Å; K163-D927 IonicContact NZ-OD2 3.91Å; K163-D927 PolarHBondContact NZ-OD2 3.25Å | ||
| 164 | P | 77.3 | Confident | 88.4 | Confident | 78 Ų | 78 | 49.8 Ų | 49.8 | 51% | 0.506 | 24% | 0.244 | S | C | . | . | G | 310 helix | trans | -51.4 | -37.5 | -174.9 | -28.9 | 35.8 | 0 | 0 | 0 | 115 | E166 R167 | P164-E166 PolarHBondContact O-N 3.25Å; P164-R167 WeakPolarHBondContact O-CB 3.42Å; P164-R167 PolarHBondContact O-N 2.9Å; P164-R167 VanDerWaalsContact O-N 3.15Å |
| 165 | E | 80.6 | Confident | 88.3 | Confident | 166 Ų | 166 | 53.3 Ų | 53.3 | 78% | 0.776 | 26% | 0.26 | S | S | * | . | G | 310 helix | trans | -63.5 | -39.7 | -179.7 | -59.3 | 178.8 | 174.3 | 0 | 0 | 112.7 | K163 R167 Q168 | K163-E165 PolarHBondContact O-N 2.92Å; K163-E165 VanDerWaalsContact O-N 3.1Å; E165-R167 PolarHBondContact O-N 3.01Å; E165-Q168 VanDerWaalsContact O-CG 3.32Å; E165-Q168 WeakPolarHBondContact O-CG 3.34Å |
| 166 | E | 84.2 | Confident | 88.1 | Confident | 98 Ų | 98 | 57.8 Ų | 57.8 | 46% | 0.458 | 28% | 0.283 | S | S | . | . | G | 310 helix | trans | -74.5 | -14.8 | 178.1 | -65.3 | -169.7 | -179 | 0 | 0 | 112.9 | Y159 K162 K163 P164 Q168 P169 | Y159-E166 WeakPolarHBondContact CE1-O 3.32Å; K162-E166 HydrophobicContact CB-CB 4.23Å; K162-E166 HydrophobicContact CD-CB 4.42Å; K162-E166 WeakPolarHBondContact CD-OE2 3.35Å; K162-E166 IonicContact NZ-OE2 2.95Å; K162-E166 PolarHBondContact NZ-OE2 3.28Å; K163-E166 PolarHBondContact O-N 3.39Å; P164-E166 PolarHBondContact O-N 3.25Å; E166-Q168 VanDerWaalsContact C-N 3.31Å; E166-Q168 PolarHBondContact O-N 3.31Å; E166-P169 WeakPolarHBondContact O-CD 3.31Å |
| 167 | R | 88 | Confident | 88.1 | Confident | 6 Ų | 6 | 57.8 Ų | 57.8 | 2% | 0.023 | 28% | 0.283 | C | S | . | . | G | 310 helix | trans | -81.6 | -7.3 | -178 | -61.1 | 174.9 | 79.5 | 103.6 | -0.2 | 113.3 | Y159 E160 K162 K163 P164 E165 P169 L170 V171 L210 | Y159-R167 PolarHBondContact O-NH1 2.64Å; E160-R167 PolarHBondContact O-NH1 2.88Å; K162-R167 HydrophobicContact CB-CG 4.32Å; K162-R167 WeakPolarHBondContact O-CD 3.42Å; K163-R167 WeakPolarHBondContact O-CG 3.42Å; K163-R167 PolarHBondContact O-N 2.96Å; P164-R167 WeakPolarHBondContact O-CB 3.42Å; P164-R167 PolarHBondContact O-N 2.9Å; P164-R167 VanDerWaalsContact O-N 3.15Å; E165-R167 PolarHBondContact O-N 3.01Å; R167-P169 VanDerWaalsContact C-N 3.32Å; R167-L170 WeakPolarHBondContact O-CA 3.42Å; R167-L170 WeakPolarHBondContact O-CB 3.39Å; R167-L170 PolarHBondContact O-N 3.28Å; R167-V171 PolarHBondContact O-N 2.9Å; R167-L210 PolarHBondContact NH2-O 3.11Å |
| 168 | Q | 89.4 | Confident | 88.1 | Confident | 98 Ų | 98 | 54 Ų | 54 | 46% | 0.458 | 27% | 0.267 | S | S | . | . | H | α-helix | trans | -49.1 | -43.1 | -180 | -70.3 | -64.2 | -34 | 0 | 0 | 114.4 | E165 E166 L170 V171 A172 | E165-Q168 VanDerWaalsContact O-CG 3.32Å; E165-Q168 WeakPolarHBondContact O-CG 3.34Å; E166-Q168 VanDerWaalsContact C-N 3.31Å; E166-Q168 PolarHBondContact O-N 3.31Å; Q168-L170 VanDerWaalsContact C-N 3.29Å; Q168-L170 PolarHBondContact O-N 2.94Å; Q168-V171 PolarHBondContact O-N 3.18Å; Q168-A172 PolarHBondContact O-N 3.24Å |
| 169 | P | 90.4 | Very high | 88.1 | Confident | 37 Ų | 37 | 55.9 Ų | 55.9 | 24% | 0.24 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -64.7 | -31 | 175.6 | -19.4 | 32.9 | 0 | 0 | 0 | 113.7 | Y122 P123 E166 R167 A173 | Y122-P169 HydrophobicContact CE1-CB 3.99Å; Y122-P169 PolarHBondContact OH-O 2.98Å; P123-P169 HydrophobicContact CB-CB 3.83Å; P123-P169 HydrophobicContact CB-CG 4.25Å; P123-P169 HydrophobicContact CG-CB 3.9Å; P123-P169 HydrophobicContact CG-CG 3.75Å; E166-P169 WeakPolarHBondContact O-CD 3.31Å; R167-P169 VanDerWaalsContact C-N 3.32Å; P169-A173 PolarHBondContact O-N 3.01Å |
| 170 | L | 92.2 | Very high | 88.1 | Confident | 1 Ų | 1 | 56.9 Ų | 56.9 | 1% | 0.005 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -72.6 | -45.2 | 174.2 | 175.3 | 64.4 | 0 | 0 | 0 | 110.8 | L155 V156 Y159 R167 Q168 A172 A173 M174 L210 | L155-L170 HydrophobicContact CG-CD1 4.42Å; V156-L170 HydrophobicContact CG1-CD2 4.35Å; V156-L170 HydrophobicContact CG2-CD1 4.01Å; Y159-L170 HydrophobicContact CD1-CB 4.38Å; Y159-L170 HydrophobicContact CD2-CB 3.86Å; Y159-L170 HydrophobicContact CD2-CD2 4.3Å; Y159-L170 HydrophobicContact CD2-CG 4.44Å; Y159-L170 HydrophobicContact CE2-CB 4.26Å; Y159-L170 HydrophobicContact CG-CB 3.93Å; Y159-L170 HydrophobicContact CG-CD2 4.17Å; R167-L170 WeakPolarHBondContact O-CA 3.42Å; R167-L170 WeakPolarHBondContact O-CB 3.39Å; R167-L170 PolarHBondContact O-N 3.28Å; Q168-L170 VanDerWaalsContact C-N 3.29Å; Q168-L170 PolarHBondContact O-N 2.94Å; L170-A172 VanDerWaalsContact C-N 3.3Å; L170-A172 PolarHBondContact O-N 2.98Å; L170-A173 PolarHBondContact O-N 3.33Å; L170-A173 VanDerWaalsContact O-N 3.15Å; L170-M174 HydrophobicContact CD1-CG 3.87Å; L170-M174 HydrophobicContact CG-CG 4.19Å; L170-M174 WeakPolarHBondContact O-CG 3.35Å; L170-M174 PolarHBondContact O-N 3.48Å; L170-L210 HydrophobicContact CD2-CD1 4.01Å; L170-L210 HydrophobicContact CG-CD1 4.49Å |
| 171 | V | 90.9 | Very high | 88.6 | Confident | 11 Ų | 11 | 56.3 Ų | 56.3 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.2 | -45.8 | 178.6 | 175.4 | 0 | 0 | 0 | 0 | 110.3 | R167 Q168 A173 M174 H175 P216 E218 L219 | R167-V171 PolarHBondContact O-N 2.9Å; Q168-V171 PolarHBondContact O-N 3.18Å; V171-A173 PolarHBondContact O-N 3.24Å; V171-M174 PolarHBondContact O-N 2.77Å; V171-H175 PolarHBondContact O-CD2 3.19Å; V171-H175 PolarHBondContact O-N 2.93Å; V171-P216 HydrophobicContact CG2-CB 4.25Å; V171-E218 HydrophobicContact CG1-CB 4.48Å; V171-L219 HydrophobicContact CG1-CD1 4.5Å; V171-L219 HydrophobicContact CG1-CD2 4.1Å; V171-L219 HydrophobicContact CG1-CG 4.14Å |
| 172 | A | 90.9 | Very high | 89 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 49% | 0.488 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.3 | -43.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q168 L170 | Q168-A172 PolarHBondContact O-N 3.24Å; L170-A172 VanDerWaalsContact C-N 3.3Å; L170-A172 PolarHBondContact O-N 2.98Å |
| 173 | A | 92.4 | Very high | 89.3 | Confident | 3 Ų | 3 | 50.5 Ų | 50.5 | 3% | 0.025 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.9 | -41.4 | 176 | 0 | 0 | 0 | 0 | 0 | 111.8 | V130 L155 P169 L170 V171 H175 I176 F177 | V130-A173 HydrophobicContact CG1-CB 4.32Å; V130-A173 HydrophobicContact CG2-CB 4.21Å; L155-A173 HydrophobicContact CD2-CB 4.47Å; P169-A173 PolarHBondContact O-N 3.01Å; L170-A173 PolarHBondContact O-N 3.33Å; L170-A173 VanDerWaalsContact O-N 3.15Å; V171-A173 PolarHBondContact O-N 3.24Å; A173-H175 VanDerWaalsContact C-N 3.33Å; A173-H175 PolarHBondContact O-N 3.14Å; A173-I176 WeakPolarHBondContact O-CB 3.46Å; A173-I176 PolarHBondContact O-N 3.13Å; A173-I176 VanDerWaalsContact O-N 3.11Å; A173-F177 HydrophobicContact CB-CD2 4.38Å; A173-F177 HydrophobicContact CB-CE2 4.1Å; A173-F177 VanDerWaalsContact O-CD2 3.28Å; A173-F177 WeakPolarHBondContact O-CD2 3.3Å; A173-F177 PolarHBondContact O-N 3.45Å |
| 174 | M | 93.6 | Very high | 89.8 | Confident | 0 Ų | 0 | 47.6 Ų | 47.6 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -71.2 | -24 | -178.5 | -69.9 | -53.8 | -69.8 | 0 | 0 | 113.4 | L152 V156 L170 V171 I176 F177 M178 L181 I206 L210 L219 | L152-M174 HydrophobicContact CD1-SD 4.14Å; V156-M174 HydrophobicContact CG2-SD 4.05Å; L170-M174 HydrophobicContact CD1-CG 3.87Å; L170-M174 HydrophobicContact CG-CG 4.19Å; L170-M174 WeakPolarHBondContact O-CG 3.35Å; L170-M174 PolarHBondContact O-N 3.48Å; V171-M174 PolarHBondContact O-N 2.77Å; M174-I176 PolarHBondContact O-N 3.28Å; M174-F177 PolarHBondContact O-N 3.16Å; M174-F177 HydrophobicContact SD-CB 4.27Å; M174-F177 HydrophobicContact SD-CD2 4.29Å; M174-M178 HydrophobicContact CB-CG 4.32Å; M174-M178 HydrophobicContact CE-CG 4Å; M174-M178 HydrophobicContact CE-SD 3.9Å; M174-M178 VanDerWaalsContact O-CB 3.22Å; M174-M178 WeakPolarHBondContact O-CB 3.43Å; M174-M178 WeakPolarHBondContact O-CG 3.37Å; M174-M178 PolarHBondContact O-N 3.1Å; M174-L181 HydrophobicContact CE-CD1 4.1Å; M174-I206 HydrophobicContact CE-CG2 4.24Å; M174-L210 HydrophobicContact CE-CD2 3.86Å; M174-L210 HydrophobicContact CG-CD1 4.22Å; M174-L210 HydrophobicContact CG-CD2 4.33Å; M174-L219 HydrophobicContact CB-CD1 3.56Å; M174-L219 HydrophobicContact CB-CD2 4.37Å |
| 175 | H | 91.7 | Very high | 90.6 | Very high | 93 Ų | 93 | 43.9 Ų | 43.9 | 43% | 0.431 | 23% | 0.227 | S | C | . | . | H | α-helix | trans | -56.1 | -33.7 | 167.8 | -89 | -66.7 | 0 | 0 | 0 | 112.8 | V171 A173 P179 E218 L219 | V171-H175 PolarHBondContact O-CD2 3.19Å; V171-H175 PolarHBondContact O-N 2.93Å; A173-H175 VanDerWaalsContact C-N 3.33Å; A173-H175 PolarHBondContact O-N 3.14Å; H175-P179 WeakPolarHBondContact O-CD 3.43Å; H175-E218 PolarHBondContact CE1-O 3.38Å; H175-L219 HydrophobicContact CB-CD2 4.19Å; H175-L219 VanDerWaalsContact CG-CD2 3.47Å; H175-L219 WeakPolarHBondContact ND1-CD2 3.45Å |
| 176 | I | 91.3 | Very high | 91.1 | Very high | 94 Ų | 94 | 39.8 Ų | 39.8 | 48% | 0.482 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -81.2 | -46.3 | 177.9 | -57 | 170.6 | 0 | 0 | 0 | 110.1 | A173 M174 M180 | A173-I176 WeakPolarHBondContact O-CB 3.46Å; A173-I176 PolarHBondContact O-N 3.13Å; A173-I176 VanDerWaalsContact O-N 3.11Å; M174-I176 PolarHBondContact O-N 3.28Å; I176-M180 HydrophobicContact CG2-SD 4.12Å; I176-M180 WeakPolarHBondContact O-CG 3.45Å |
| 177 | F | 93.4 | Very high | 91.4 | Very high | 1 Ų | 1 | 39.4 Ų | 39.4 | 0% | 0.004 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -80.5 | -29.1 | -171 | -59.2 | -41.5 | 0 | 0 | 0 | 114.3 | V130 I133 L152 A173 M174 M180 L181 | V130-F177 HydrophobicContact CB-CZ 4.36Å; V130-F177 HydrophobicContact CG1-CE2 3.97Å; V130-F177 HydrophobicContact CG1-CZ 3.6Å; V130-F177 WeakPolarHBondContact O-CZ 3.46Å; I133-F177 HydrophobicContact CB-CE1 4.19Å; I133-F177 HydrophobicContact CB-CE2 4.37Å; I133-F177 HydrophobicContact CB-CZ 3.74Å; I133-F177 HydrophobicContact CG2-CD1 4.22Å; I133-F177 HydrophobicContact CG2-CD2 4.46Å; I133-F177 HydrophobicContact CG2-CE1 3.7Å; I133-F177 HydrophobicContact CG2-CE2 3.93Å; I133-F177 HydrophobicContact CG2-CZ 3.52Å; L152-F177 HydrophobicContact CD1-CD2 3.55Å; L152-F177 HydrophobicContact CD1-CE2 3.88Å; L152-F177 HydrophobicContact CD1-CG 4.38Å; L152-F177 HydrophobicContact CD2-CB 4.19Å; L152-F177 HydrophobicContact CD2-CD2 4.24Å; L152-F177 HydrophobicContact CD2-CG 4.27Å; A173-F177 HydrophobicContact CB-CD2 4.38Å; A173-F177 HydrophobicContact CB-CE2 4.1Å; A173-F177 VanDerWaalsContact O-CD2 3.28Å; A173-F177 WeakPolarHBondContact O-CD2 3.3Å; A173-F177 PolarHBondContact O-N 3.45Å; M174-F177 PolarHBondContact O-N 3.16Å; M174-F177 HydrophobicContact SD-CB 4.27Å; M174-F177 HydrophobicContact SD-CD2 4.29Å; F177-M180 HydrophobicContact CD1-SD 4.21Å; F177-M180 WeakPolarHBondContact O-CB 3.42Å; F177-M180 PolarHBondContact O-N 2.93Å; F177-M180 VanDerWaalsContact O-N 3.12Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 VanDerWaalsContact O-CG 3.25Å; F177-L181 WeakPolarHBondContact O-CG 3.49Å; F177-L181 PolarHBondContact O-N 3.23Å |
| 178 | M | 90.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 3% | 0.03 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -55.9 | -50.8 | -178.5 | -80 | -69.1 | -77 | 0 | 0 | 113.2 | M174 M180 L181 K182 L207 L210 F211 I224 | M174-M178 HydrophobicContact CB-CG 4.32Å; M174-M178 HydrophobicContact CE-CG 4Å; M174-M178 HydrophobicContact CE-SD 3.9Å; M174-M178 VanDerWaalsContact O-CB 3.22Å; M174-M178 WeakPolarHBondContact O-CB 3.43Å; M174-M178 WeakPolarHBondContact O-CG 3.37Å; M174-M178 PolarHBondContact O-N 3.1Å; M178-M180 VanDerWaalsContact C-N 3.33Å; M178-M180 PolarHBondContact O-N 3.42Å; M178-L181 PolarHBondContact O-N 2.94Å; M178-K182 PolarHBondContact O-N 3.24Å; M178-K182 VanDerWaalsContact O-N 3.13Å; M178-L207 HydrophobicContact CE-CD2 4Å; M178-L207 HydrophobicContact SD-CD2 3.41Å; M178-L207 WeakPolarHBondContact SD-CD2 3.45Å; M178-L210 HydrophobicContact SD-CD2 4.2Å; M178-F211 HydrophobicContact CE-CZ 4.07Å; M178-I224 HydrophobicContact CE-CG2 4.42Å |
| 179 | P | 90.5 | Very high | 91.5 | Very high | 58 Ų | 58 | 36.5 Ų | 36.5 | 38% | 0.377 | 20% | 0.196 | S | C | . | . | H | α-helix | trans | -61.6 | -39.9 | 174.6 | -22.7 | 33.6 | 0 | 0 | 0 | 112.9 | H175 K182 D183 | H175-P179 WeakPolarHBondContact O-CD 3.43Å; P179-K182 WeakPolarHBondContact O-CB 3.34Å; P179-K182 PolarHBondContact O-N 2.9Å; P179-D183 PolarHBondContact O-N 3.22Å |
| 180 | M | 91.6 | Very high | 91.4 | Very high | 26 Ų | 26 | 42.6 Ų | 42.6 | 13% | 0.128 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -65.3 | -44.1 | -179.7 | -65.1 | 177.2 | 52.8 | 0 | 0 | 112 | L137 Q138 I176 F177 M178 K182 D183 R184 | L137-M180 HydrophobicContact CB-CE 3.71Å; L137-M180 HydrophobicContact CD2-CB 4.05Å; L137-M180 HydrophobicContact CD2-CE 3.85Å; L137-M180 HydrophobicContact CG-CE 3.81Å; Q138-M180 HydrophobicContact CG-CE 3.37Å; Q138-M180 HydrophobicContact CG-SD 4.36Å; I176-M180 HydrophobicContact CG2-SD 4.12Å; I176-M180 WeakPolarHBondContact O-CG 3.45Å; F177-M180 HydrophobicContact CD1-SD 4.21Å; F177-M180 WeakPolarHBondContact O-CB 3.42Å; F177-M180 PolarHBondContact O-N 2.93Å; F177-M180 VanDerWaalsContact O-N 3.12Å; M178-M180 VanDerWaalsContact C-N 3.33Å; M178-M180 PolarHBondContact O-N 3.42Å; M180-K182 VanDerWaalsContact C-N 3.3Å; M180-K182 PolarHBondContact O-N 3.31Å; M180-D183 PolarHBondContact O-N 3.26Å; M180-R184 WeakPolarHBondContact O-CB 3.36Å; M180-R184 VanDerWaalsContact O-CG 3.23Å; M180-R184 WeakPolarHBondContact O-CG 3.45Å; M180-R184 PolarHBondContact O-N 3.48Å |
| 181 | L | 93.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.1 | -43.1 | 176.1 | -70.6 | 174.6 | 0 | 0 | 0 | 110.7 | L137 L149 L152 M174 F177 M178 F185 I203 I206 W228 | L137-L181 HydrophobicContact CD2-CD2 3.98Å; L137-L181 HydrophobicContact CD2-CG 4.45Å; L149-L181 HydrophobicContact CD2-CD2 3.36Å; L152-L181 HydrophobicContact CD2-CD1 4.11Å; L152-L181 HydrophobicContact CD2-CD2 4.11Å; L152-L181 HydrophobicContact CD2-CG 4.45Å; M174-L181 HydrophobicContact CE-CD1 4.1Å; F177-L181 WeakPolarHBondContact O-CB 3.42Å; F177-L181 VanDerWaalsContact O-CG 3.25Å; F177-L181 WeakPolarHBondContact O-CG 3.49Å; F177-L181 PolarHBondContact O-N 3.23Å; M178-L181 PolarHBondContact O-N 2.94Å; L181-F185 WeakPolarHBondContact O-CB 3.5Å; L181-F185 PolarHBondContact O-N 3.49Å; L181-I203 HydrophobicContact CB-CG2 4.07Å; L181-I203 HydrophobicContact CD2-CG1 4.15Å; L181-I203 HydrophobicContact CD2-CG2 4.25Å; L181-I206 HydrophobicContact CD1-CG2 4.26Å; L181-W228 HydrophobicContact CB-CH2 4.22Å; L181-W228 HydrophobicContact CB-CZ2 4.26Å |
| 182 | K | 91.8 | Very high | 90.9 | Very high | 33 Ų | 33 | 51.5 Ų | 51.5 | 14% | 0.143 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -61 | -53.3 | 177 | -176.2 | -158.9 | 71.4 | -175.8 | 0 | 111.9 | M178 P179 M180 R184 F185 I186 E227 W228 I231 | M178-K182 PolarHBondContact O-N 3.24Å; M178-K182 VanDerWaalsContact O-N 3.13Å; P179-K182 WeakPolarHBondContact O-CB 3.34Å; P179-K182 PolarHBondContact O-N 2.9Å; M180-K182 VanDerWaalsContact C-N 3.3Å; M180-K182 PolarHBondContact O-N 3.31Å; K182-R184 VanDerWaalsContact C-N 3.27Å; K182-R184 PolarHBondContact O-N 2.96Å; K182-F185 WeakPolarHBondContact O-CB 3.45Å; K182-F185 PolarHBondContact O-N 3.38Å; K182-I186 HydrophobicContact CD-CD1 4.47Å; K182-I186 HydrophobicContact CG-CD1 4.08Å; K182-I186 WeakPolarHBondContact O-CG1 3.42Å; K182-I186 PolarHBondContact O-N 3Å; K182-E227 HydrophobicContact CD-CB 4.05Å; K182-E227 WeakPolarHBondContact CD-OE2 3.45Å; K182-E227 WeakPolarHBondContact CE-OE2 3.39Å; K182-E227 IonicContact NZ-OE1 2.74Å; K182-E227 IonicContact NZ-OE2 2.76Å; K182-E227 PolarHBondContact NZ-OE2 3.21Å; K182-W228 HydrophobicContact CB-CH2 4.07Å; K182-W228 HydrophobicContact CB-CZ2 3.65Å; K182-W228 HydrophobicContact CG-CZ2 4.41Å; K182-I231 HydrophobicContact CG-CD1 3.78Å |
| 183 | D | 91.1 | Very high | 90.8 | Very high | 94 Ų | 94 | 50.5 Ų | 50.5 | 50% | 0.503 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | -177.9 | -69.6 | -12.6 | 0 | 0 | 0 | 111.2 | P179 M180 I186 Q187 | P179-D183 PolarHBondContact O-N 3.22Å; M180-D183 PolarHBondContact O-N 3.26Å; D183-I186 PolarHBondContact O-N 3.18Å; D183-Q187 PolarHBondContact O-N 3.34Å |
| 184 | R | 90.7 | Very high | 90.5 | Very high | 37 Ų | 37 | 55 Ų | 55 | 14% | 0.14 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.5 | -42 | 172.4 | -70.4 | -57.9 | -172.1 | -153.7 | 2 | 112.6 | L137 Q138 S139 M180 K182 I186 Q187 L188 | L137-R184 HydrophobicContact CD1-CG 4.32Å; L137-R184 PolarHBondContact O-NE 3.03Å; L137-R184 PolarHBondContact O-NH2 3.12Å; Q138-R184 VanDerWaalsContact CA-NH2 3.29Å; Q138-R184 PolarHBondContact O-NH2 3.18Å; S139-R184 PolarHBondContact O-NH2 3Å; M180-R184 WeakPolarHBondContact O-CB 3.36Å; M180-R184 VanDerWaalsContact O-CG 3.23Å; M180-R184 WeakPolarHBondContact O-CG 3.45Å; M180-R184 PolarHBondContact O-N 3.48Å; K182-R184 VanDerWaalsContact C-N 3.27Å; K182-R184 PolarHBondContact O-N 2.96Å; R184-I186 VanDerWaalsContact C-N 3.34Å; R184-I186 PolarHBondContact O-N 2.91Å; R184-Q187 WeakPolarHBondContact O-CB 3.39Å; R184-Q187 PolarHBondContact O-N 3.36Å; R184-L188 WeakPolarHBondContact O-CB 3.49Å; R184-L188 WeakPolarHBondContact O-CD1 3.44Å; R184-L188 VanDerWaalsContact O-CG 3.23Å; R184-L188 WeakPolarHBondContact O-CG 3.48Å; R184-L188 PolarHBondContact O-N 2.97Å |
| 185 | F | 93.4 | Very high | 90.2 | Very high | 0 Ų | 0 | 61.2 Ų | 61.2 | 0% | 0 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -60 | -46.7 | 176.9 | -154.7 | -70.4 | 0 | 0 | 0 | 111 | L181 K182 Q187 L188 L189 Q200 I203 F204 W228 I231 V235 | L181-F185 WeakPolarHBondContact O-CB 3.5Å; L181-F185 PolarHBondContact O-N 3.49Å; K182-F185 WeakPolarHBondContact O-CB 3.45Å; K182-F185 PolarHBondContact O-N 3.38Å; F185-Q187 VanDerWaalsContact C-N 3.31Å; F185-Q187 PolarHBondContact O-N 3.01Å; F185-L188 PolarHBondContact O-N 3.44Å; F185-L188 VanDerWaalsContact O-N 3.13Å; F185-L189 HydrophobicContact CD1-CD1 4.22Å; F185-L189 HydrophobicContact CD1-CD2 4.22Å; F185-L189 HydrophobicContact CD1-CG 3.91Å; F185-L189 HydrophobicContact CE1-CD1 4.49Å; F185-L189 HydrophobicContact CE1-CD2 3.79Å; F185-L189 HydrophobicContact CE1-CG 4.02Å; F185-L189 WeakPolarHBondContact O-CG 3.32Å; F185-L189 PolarHBondContact O-N 3.44Å; F185-Q200 HydrophobicContact CD1-CG 4.5Å; F185-Q200 HydrophobicContact CD2-CB 4.5Å; F185-Q200 HydrophobicContact CE1-CB 4.32Å; F185-Q200 HydrophobicContact CE1-CG 4.06Å; F185-Q200 HydrophobicContact CE2-CB 3.74Å; F185-Q200 HydrophobicContact CE2-CG 4.13Å; F185-Q200 WeakPolarHBondContact CE2-O 3.4Å; F185-Q200 HydrophobicContact CZ-CB 3.61Å; F185-Q200 HydrophobicContact CZ-CG 3.84Å; F185-I203 HydrophobicContact CB-CD1 4.3Å; F185-I203 HydrophobicContact CD2-CB 3.87Å; F185-I203 HydrophobicContact CD2-CD1 3.81Å; F185-I203 HydrophobicContact CD2-CG1 4.43Å; F185-I203 HydrophobicContact CD2-CG2 3.78Å; F185-I203 HydrophobicContact CE2-CB 4.19Å; F185-I203 HydrophobicContact CE2-CG2 4.38Å; F185-I203 HydrophobicContact CG-CD1 4.47Å; F185-F204 HydrophobicContact CD2-CE1 4.26Å; F185-F204 HydrophobicContact CE1-CE1 4.44Å; F185-F204 HydrophobicContact CE1-CE2 4.5Å; F185-F204 AromaticContact CE1-CZ 3.96Å; F185-F204 HydrophobicContact CE1-CZ 3.96Å; F185-F204 AromaticContact CE2-CD1 3.77Å; F185-F204 HydrophobicContact CE2-CD1 3.77Å; F185-F204 HydrophobicContact CE2-CD2 4.17Å; F185-F204 AromaticContact CE2-CE1 3.47Å; F185-F204 HydrophobicContact CE2-CE1 3.47Å; F185-F204 VanDerWaalsContact CE2-CE1 3.47Å; F185-F204 AromaticContact CE2-CE2 3.89Å; F185-F204 HydrophobicContact CE2-CE2 3.89Å; F185-F204 HydrophobicContact CE2-CG 4.12Å; F185-F204 AromaticContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CZ-CD1 4.26Å; F185-F204 HydrophobicContact CZ-CD2 4.15Å; F185-F204 AromaticContact CZ-CE1 3.61Å; F185-F204 HydrophobicContact CZ-CE1 3.61Å; F185-F204 AromaticContact CZ-CE2 3.46Å; F185-F204 HydrophobicContact CZ-CE2 3.46Å; F185-F204 VanDerWaalsContact CZ-CE2 3.46Å; F185-F204 AromaticContact CZ-CZ 3.16Å; F185-F204 HydrophobicContact CZ-CZ 3.16Å; F185-W228 HydrophobicContact CD2-CZ3 4.33Å; F185-W228 HydrophobicContact CG-CZ3 4.48Å; F185-I231 HydrophobicContact CD1-CG2 3.41Å; F185-I231 VanDerWaalsContact CD1-CG2 3.41Å; F185-I231 HydrophobicContact CE1-CG2 3.44Å; F185-I231 VanDerWaalsContact CE1-CG2 3.44Å; F185-I231 HydrophobicContact CG-CG2 4.02Å; F185-I231 HydrophobicContact CZ-CG2 4.05Å; F185-V235 HydrophobicContact CE1-CG2 3.66Å; F185-V235 HydrophobicContact CZ-CG2 3.85Å |
| 186 | I | 91.7 | Very high | 90.2 | Very high | 80 Ų | 80 | 56.9 Ų | 56.9 | 41% | 0.41 | 29% | 0.287 | S | S | . | . | H | α-helix | trans | -61.3 | -40.6 | 178.4 | -65.8 | 168.5 | 0 | 0 | 0 | 111.1 | K182 D183 R184 L189 I231 | K182-I186 HydrophobicContact CD-CD1 4.47Å; K182-I186 HydrophobicContact CG-CD1 4.08Å; K182-I186 WeakPolarHBondContact O-CG1 3.42Å; K182-I186 PolarHBondContact O-N 3Å; D183-I186 PolarHBondContact O-N 3.18Å; R184-I186 VanDerWaalsContact C-N 3.34Å; R184-I186 PolarHBondContact O-N 2.91Å; I186-L189 PolarHBondContact O-N 3.33Å; I186-I231 HydrophobicContact CD1-CD1 4.45Å; I186-I231 HydrophobicContact CG1-CD1 4.09Å; I186-I231 HydrophobicContact CG1-CG1 4.45Å |
| 187 | Q | 90.8 | Very high | 90.2 | Very high | 90 Ų | 90 | 52.4 Ų | 52.4 | 42% | 0.421 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -61 | -44.6 | 174.1 | -177.2 | -177.6 | -0.9 | 0 | 0 | 111.6 | D183 R184 F185 L189 | D183-Q187 PolarHBondContact O-N 3.34Å; R184-Q187 WeakPolarHBondContact O-CB 3.39Å; R184-Q187 PolarHBondContact O-N 3.36Å; F185-Q187 VanDerWaalsContact C-N 3.31Å; F185-Q187 PolarHBondContact O-N 3.01Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 3.06Å |
| 188 | L | 90.8 | Very high | 90.1 | Very high | 8 Ų | 8 | 55.2 Ų | 55.2 | 4% | 0.042 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -70.6 | -25.5 | -178.2 | -71.4 | 165.5 | 0 | 0 | 0 | 113.3 | W145 R184 F185 Q190 D191 S196 I199 Q200 I203 | W145-L188 HydrophobicContact CE3-CD2 4.03Å; W145-L188 HydrophobicContact CZ3-CD2 3.7Å; W145-L188 HydrophobicContact CZ3-CG 4.36Å; R184-L188 WeakPolarHBondContact O-CB 3.49Å; R184-L188 WeakPolarHBondContact O-CD1 3.44Å; R184-L188 VanDerWaalsContact O-CG 3.23Å; R184-L188 WeakPolarHBondContact O-CG 3.48Å; R184-L188 PolarHBondContact O-N 2.97Å; F185-L188 PolarHBondContact O-N 3.44Å; F185-L188 VanDerWaalsContact O-N 3.13Å; L188-Q190 PolarHBondContact O-N 2.82Å; L188-Q190 VanDerWaalsContact O-N 3.13Å; L188-D191 PolarHBondContact O-N 3.09Å; L188-D191 VanDerWaalsContact O-O 3.12Å; L188-S196 PolarHBondContact O-OG 2.68Å; L188-I199 HydrophobicContact CD1-CB 4.07Å; L188-I199 HydrophobicContact CD1-CG2 3.4Å; L188-I199 VanDerWaalsContact CD1-CG2 3.4Å; L188-Q200 HydrophobicContact CB-CG 3.88Å; L188-Q200 HydrophobicContact CD1-CG 4.37Å; L188-Q200 PolarHBondContact O-NE2 2.83Å; L188-Q200 VanDerWaalsContact O-NE2 3.08Å; L188-I203 HydrophobicContact CD1-CD1 4.28Å |
| 189 | L | 88.7 | Confident | 90.2 | Very high | 36 Ų | 36 | 55.5 Ų | 55.5 | 19% | 0.188 | 28% | 0.28 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.2 | -26.4 | 178 | -80.3 | 175.5 | 0 | 0 | 0 | 113.4 | F185 I186 Q187 T234 V235 | F185-L189 HydrophobicContact CD1-CD1 4.22Å; F185-L189 HydrophobicContact CD1-CD2 4.22Å; F185-L189 HydrophobicContact CD1-CG 3.91Å; F185-L189 HydrophobicContact CE1-CD1 4.49Å; F185-L189 HydrophobicContact CE1-CD2 3.79Å; F185-L189 HydrophobicContact CE1-CG 4.02Å; F185-L189 WeakPolarHBondContact O-CG 3.32Å; F185-L189 PolarHBondContact O-N 3.44Å; I186-L189 PolarHBondContact O-N 3.33Å; Q187-L189 VanDerWaalsContact C-N 3.33Å; Q187-L189 PolarHBondContact O-N 3.06Å; L189-T234 HydrophobicContact CD1-CG2 4.49Å; L189-V235 HydrophobicContact CD2-CG2 3.94Å |
| 190 | Q | 87.6 | Confident | 90.4 | Very high | 164 Ų | 164 | 52.8 Ų | 52.8 | 77% | 0.766 | 26% | 0.262 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -18 | 177.7 | -60.1 | -177.5 | 3 | 0 | 0 | 113.1 | L188 | L188-Q190 PolarHBondContact O-N 2.82Å; L188-Q190 VanDerWaalsContact O-N 3.13Å |
| 191 | D | 87.8 | Confident | 90.6 | Very high | 74 Ų | 74 | 53.1 Ų | 53.1 | 40% | 0.396 | 26% | 0.263 | S | S | . | . | trans | -99.5 | 115.5 | 179.2 | -178.4 | 11.9 | 0 | 0 | 0 | 110.8 | L188 S193 S196 | L188-D191 PolarHBondContact O-N 3.09Å; L188-D191 VanDerWaalsContact O-O 3.12Å; D191-S193 VanDerWaalsContact C-N 3.31Å; D191-S193 VanDerWaalsContact CG-OG 3.27Å; D191-S193 PolarHBondContact O-N 3.3Å; D191-S193 VanDerWaalsContact OD1-CB 3.29Å; D191-S193 WeakPolarHBondContact OD1-CB 3.21Å; D191-S193 PolarHBondContact OD1-N 3.39Å; D191-S193 PolarHBondContact OD1-OG 3.16Å; D191-S193 PolarHBondContact OD2-OG 3.08Å; D191-S196 WeakPolarHBondContact O-CB 3.32Å; D191-S196 PolarHBondContact O-OG 3.13Å; D191-S196 WeakPolarHBondContact OD2-CB 3.37Å | ||
| 192 | H | 85.3 | Confident | 90.6 | Very high | 125 Ų | 125 | 53.4 Ų | 53.4 | 58% | 0.579 | 26% | 0.264 | S | S | * | . | trans | -90.1 | 15.8 | 179.6 | -58.6 | -76.3 | 0 | 0 | 0 | 113.3 | W257 | H192-W257 HydrophobicContact CB-CH2 4.14Å; H192-W257 HydrophobicContact CB-CZ2 4.42Å; H192-W257 AromaticContact ND1-CH2 3.95Å; H192-W257 WeakPolarHBondContact O-CZ2 2.99Å | ||
| 193 | S | 89 | Confident | 90.8 | Very high | 39 Ų | 39 | 51.9 Ų | 51.9 | 27% | 0.273 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -69.4 | 149 | 172.9 | 71.9 | 0 | 0 | 0 | 0 | 112.3 | D191 E195 S196 V197 | D191-S193 VanDerWaalsContact C-N 3.31Å; D191-S193 VanDerWaalsContact CG-OG 3.27Å; D191-S193 PolarHBondContact O-N 3.3Å; D191-S193 VanDerWaalsContact OD1-CB 3.29Å; D191-S193 WeakPolarHBondContact OD1-CB 3.21Å; D191-S193 PolarHBondContact OD1-N 3.39Å; D191-S193 PolarHBondContact OD1-OG 3.16Å; D191-S193 PolarHBondContact OD2-OG 3.08Å; S193-E195 PolarHBondContact O-N 3.34Å; S193-S196 PolarHBondContact O-N 2.83Å; S193-S196 VanDerWaalsContact OG-CB 3.25Å; S193-S196 WeakPolarHBondContact OG-CB 3.21Å; S193-S196 PolarHBondContact OG-N 3.12Å; S193-S196 VanDerWaalsContact OG-N 3.11Å; S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 3.39Å; S193-V197 VanDerWaalsContact O-N 3.13Å |
| 194 | N | 86.4 | Confident | 91.1 | Very high | 97 Ų | 97 | 47.4 Ų | 47.4 | 52% | 0.519 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -60.5 | -33.1 | 175 | -76.9 | -22.9 | 0 | 0 | 0 | 112.3 | V197 L198 W257 | N194-V197 PolarHBondContact O-N 2.78Å; N194-L198 WeakPolarHBondContact O-CB 3.47Å; N194-L198 PolarHBondContact O-N 2.9Å; N194-W257 PolarHBondContact OD1-NE1 3.02Å |
| 195 | E | 87.3 | Confident | 91.2 | Very high | 131 Ų | 131 | 47.6 Ų | 47.6 | 61% | 0.612 | 24% | 0.236 | S | C | * | . | H | α-helix | trans | -65.3 | -44.8 | 176.4 | -65.4 | 178.1 | -177.6 | 0 | 0 | 111.4 | S193 V197 L198 I199 | S193-E195 PolarHBondContact O-N 3.34Å; E195-V197 PolarHBondContact O-N 3.24Å; E195-L198 WeakPolarHBondContact O-CB 3.21Å; E195-L198 PolarHBondContact O-N 3.07Å; E195-I199 WeakPolarHBondContact O-CG1 3.28Å; E195-I199 PolarHBondContact O-N 2.91Å; E195-I199 VanDerWaalsContact O-N 3.12Å |
| 196 | S | 91.4 | Very high | 91.3 | Very high | 2 Ų | 2 | 47.6 Ų | 47.6 | 1% | 0.014 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.1 | -46.2 | 174.6 | 170.3 | 0 | 0 | 0 | 0 | 111.7 | L188 D191 S193 L198 I199 Q200 | L188-S196 PolarHBondContact O-OG 2.68Å; D191-S196 WeakPolarHBondContact O-CB 3.32Å; D191-S196 PolarHBondContact O-OG 3.13Å; D191-S196 WeakPolarHBondContact OD2-CB 3.37Å; S193-S196 PolarHBondContact O-N 2.83Å; S193-S196 VanDerWaalsContact OG-CB 3.25Å; S193-S196 WeakPolarHBondContact OG-CB 3.21Å; S193-S196 PolarHBondContact OG-N 3.12Å; S193-S196 VanDerWaalsContact OG-N 3.11Å; S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 3.26Å; S196-I199 WeakPolarHBondContact O-CB 3.47Å; S196-I199 PolarHBondContact O-N 2.98Å; S196-Q200 WeakPolarHBondContact O-CG 3.29Å; S196-Q200 PolarHBondContact O-N 2.94Å; S196-Q200 PolarHBondContact OG-NE2 3.23Å |
| 197 | V | 91.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 43.9 Ų | 43.9 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -66.6 | -34.1 | -179.8 | 179 | 0 | 0 | 0 | 0 | 111.9 | S193 N194 E195 I199 Q200 K201 P256 W257 C260 | S193-V197 WeakPolarHBondContact O-CG2 3.39Å; S193-V197 PolarHBondContact O-N 3.39Å; S193-V197 VanDerWaalsContact O-N 3.13Å; N194-V197 PolarHBondContact O-N 2.78Å; E195-V197 PolarHBondContact O-N 3.24Å; V197-I199 VanDerWaalsContact C-N 3.33Å; V197-I199 PolarHBondContact O-N 3.02Å; V197-Q200 PolarHBondContact O-N 2.96Å; V197-K201 WeakPolarHBondContact O-CB 3.49Å; V197-K201 PolarHBondContact O-N 2.89Å; V197-P256 HydrophobicContact CB-CB 4.18Å; V197-P256 HydrophobicContact CG1-CB 3.87Å; V197-P256 WeakPolarHBondContact CG1-O 3.42Å; V197-W257 HydrophobicContact CG1-CD2 4.24Å; V197-W257 HydrophobicContact CG1-CG 4.32Å; V197-W257 HydrophobicContact CG2-CD2 4.02Å; V197-W257 HydrophobicContact CG2-CE3 4.21Å; V197-W257 HydrophobicContact CG2-CH2 3.85Å; V197-W257 HydrophobicContact CG2-CZ2 3.63Å; V197-W257 HydrophobicContact CG2-CZ3 4.16Å; V197-C260 HydrophobicContact CG1-CB 3.77Å |
| 198 | L | 90.7 | Very high | 91.6 | Very high | 59 Ų | 59 | 40.2 Ų | 40.2 | 31% | 0.309 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.1 | -40.3 | 173.8 | -176.7 | 62.6 | 0 | 0 | 0 | 111.7 | L146 N194 E195 S196 K201 Q202 | L146-L198 HydrophobicContact CD1-CD2 4.42Å; L146-L198 HydrophobicContact CD1-CG 4.17Å; L146-L198 HydrophobicContact CD2-CD2 3.69Å; L146-L198 HydrophobicContact CD2-CG 4.33Å; N194-L198 WeakPolarHBondContact O-CB 3.47Å; N194-L198 PolarHBondContact O-N 2.9Å; E195-L198 WeakPolarHBondContact O-CB 3.21Å; E195-L198 PolarHBondContact O-N 3.07Å; S196-L198 VanDerWaalsContact C-N 3.31Å; S196-L198 PolarHBondContact O-N 3.26Å; L198-K201 HydrophobicContact CD1-CD 4.21Å; L198-K201 PolarHBondContact O-N 3.5Å; L198-Q202 PolarHBondContact O-N 3.46Å |
| 199 | I | 93.3 | Very high | 91.6 | Very high | 13 Ų | 13 | 40 Ų | 40 | 7% | 0.067 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -66.2 | -46.8 | 175.1 | -64.5 | 167.8 | 0 | 0 | 0 | 110.4 | W145 L146 L149 L188 E195 S196 V197 K201 Q202 I203 | W145-I199 HydrophobicContact CB-CD1 4.07Å; W145-I199 HydrophobicContact CB-CG2 4.33Å; W145-I199 HydrophobicContact CE3-CD1 4.12Å; L146-I199 HydrophobicContact CB-CG1 4.21Å; L149-I199 HydrophobicContact CD1-CG2 3.56Å; L188-I199 HydrophobicContact CD1-CB 4.07Å; L188-I199 HydrophobicContact CD1-CG2 3.4Å; L188-I199 VanDerWaalsContact CD1-CG2 3.4Å; E195-I199 WeakPolarHBondContact O-CG1 3.28Å; E195-I199 PolarHBondContact O-N 2.91Å; E195-I199 VanDerWaalsContact O-N 3.12Å; S196-I199 WeakPolarHBondContact O-CB 3.47Å; S196-I199 PolarHBondContact O-N 2.98Å; V197-I199 VanDerWaalsContact C-N 3.33Å; V197-I199 PolarHBondContact O-N 3.02Å; I199-K201 VanDerWaalsContact C-N 3.33Å; I199-K201 PolarHBondContact O-N 2.97Å; I199-Q202 WeakPolarHBondContact O-CB 3.2Å; I199-Q202 PolarHBondContact O-N 3.47Å; I199-I203 HydrophobicContact CG2-CD1 4.47Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.19Å |
| 200 | Q | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -54.3 | -48.7 | 174 | -70.7 | 169.3 | 44.5 | 0 | 0 | 111.3 | F185 L188 S196 V197 Q202 I203 F204 | F185-Q200 HydrophobicContact CD1-CG 4.5Å; F185-Q200 HydrophobicContact CD2-CB 4.5Å; F185-Q200 HydrophobicContact CE1-CB 4.32Å; F185-Q200 HydrophobicContact CE1-CG 4.06Å; F185-Q200 HydrophobicContact CE2-CB 3.74Å; F185-Q200 HydrophobicContact CE2-CG 4.13Å; F185-Q200 WeakPolarHBondContact CE2-O 3.4Å; F185-Q200 HydrophobicContact CZ-CB 3.61Å; F185-Q200 HydrophobicContact CZ-CG 3.84Å; L188-Q200 HydrophobicContact CB-CG 3.88Å; L188-Q200 HydrophobicContact CD1-CG 4.37Å; L188-Q200 PolarHBondContact O-NE2 2.83Å; L188-Q200 VanDerWaalsContact O-NE2 3.08Å; S196-Q200 WeakPolarHBondContact O-CG 3.29Å; S196-Q200 PolarHBondContact O-N 2.94Å; S196-Q200 PolarHBondContact OG-NE2 3.23Å; V197-Q200 PolarHBondContact O-N 2.96Å; Q200-Q202 VanDerWaalsContact C-N 3.29Å; Q200-Q202 PolarHBondContact O-N 2.92Å; Q200-I203 PolarHBondContact O-N 3.5Å; Q200-I203 VanDerWaalsContact O-N 3.15Å; Q200-F204 PolarHBondContact O-N 3Å; Q200-F204 VanDerWaalsContact O-N 3.09Å |
| 201 | K | 94.3 | Very high | 91.8 | Very high | 33 Ų | 33 | 31.1 Ų | 31.1 | 14% | 0.143 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -57.5 | -40.4 | 175 | 169.9 | -101.8 | 169 | 178.7 | 0 | 112 | V197 L198 I199 F204 K205 K259 C260 | V197-K201 WeakPolarHBondContact O-CB 3.49Å; V197-K201 PolarHBondContact O-N 2.89Å; L198-K201 HydrophobicContact CD1-CD 4.21Å; L198-K201 PolarHBondContact O-N 3.5Å; I199-K201 VanDerWaalsContact C-N 3.33Å; I199-K201 PolarHBondContact O-N 2.97Å; K201-F204 PolarHBondContact O-N 2.66Å; K201-K205 PolarHBondContact O-N 3.27Å; K201-K259 HydrophobicContact CG-CB 4.1Å; K201-C260 HydrophobicContact CB-CB 3.98Å |
| 202 | Q | 94.6 | Very high | 91.8 | Very high | 6 Ų | 6 | 28.9 Ų | 28.9 | 3% | 0.028 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -67.8 | -36.1 | 178.4 | -171.3 | 57.4 | 33.1 | 0 | 0 | 112 | L146 L149 Y153 L198 I199 Q200 K205 I206 | L146-Q202 HydrophobicContact CD1-CB 4.24Å; L146-Q202 HydrophobicContact CD1-CG 4.41Å; L149-Q202 HydrophobicContact CB-CG 3.73Å; L149-Q202 HydrophobicContact CD1-CB 4.49Å; Y153-Q202 VanDerWaalsContact CB-NE2 3.28Å; L198-Q202 PolarHBondContact O-N 3.46Å; I199-Q202 WeakPolarHBondContact O-CB 3.2Å; I199-Q202 PolarHBondContact O-N 3.47Å; Q200-Q202 VanDerWaalsContact C-N 3.29Å; Q200-Q202 PolarHBondContact O-N 2.92Å; Q202-K205 WeakPolarHBondContact O-CB 3.38Å; Q202-K205 PolarHBondContact O-N 2.99Å; Q202-I206 WeakPolarHBondContact O-CG1 3.48Å; Q202-I206 PolarHBondContact O-N 3.07Å |
| 203 | I | 96.3 | Very high | 91.8 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -61.9 | -46.1 | 173.3 | -62.4 | 171.4 | 0 | 0 | 0 | 110.5 | L149 L181 F185 L188 I199 Q200 K205 I206 L207 W228 | L149-I203 HydrophobicContact CD1-CD1 4.37Å; L149-I203 HydrophobicContact CD1-CG1 3.74Å; L149-I203 HydrophobicContact CD2-CG1 4.1Å; L181-I203 HydrophobicContact CB-CG2 4.07Å; L181-I203 HydrophobicContact CD2-CG1 4.15Å; L181-I203 HydrophobicContact CD2-CG2 4.25Å; F185-I203 HydrophobicContact CB-CD1 4.3Å; F185-I203 HydrophobicContact CD2-CB 3.87Å; F185-I203 HydrophobicContact CD2-CD1 3.81Å; F185-I203 HydrophobicContact CD2-CG1 4.43Å; F185-I203 HydrophobicContact CD2-CG2 3.78Å; F185-I203 HydrophobicContact CE2-CB 4.19Å; F185-I203 HydrophobicContact CE2-CG2 4.38Å; F185-I203 HydrophobicContact CG-CD1 4.47Å; L188-I203 HydrophobicContact CD1-CD1 4.28Å; I199-I203 HydrophobicContact CG2-CD1 4.47Å; I199-I203 WeakPolarHBondContact O-CG1 3.34Å; I199-I203 PolarHBondContact O-N 3.19Å; Q200-I203 PolarHBondContact O-N 3.5Å; Q200-I203 VanDerWaalsContact O-N 3.15Å; I203-K205 VanDerWaalsContact C-N 3.32Å; I203-K205 PolarHBondContact O-N 3.41Å; I203-I206 WeakPolarHBondContact O-CB 3.37Å; I203-I206 PolarHBondContact O-N 2.66Å; I203-I206 VanDerWaalsContact O-N 3.12Å; I203-L207 PolarHBondContact O-N 3.05Å; I203-W228 HydrophobicContact CG2-CH2 4.04Å; I203-W228 HydrophobicContact CG2-CZ3 4.49Å |
| 204 | F | 96.4 | Very high | 91.6 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.1 | -36 | 176.3 | -70.7 | -29.8 | 0 | 0 | 0 | 113.2 | F185 Q200 K201 I206 L207 Y208 W228 I231 L232 V235 W263 A264 I267 | F185-F204 HydrophobicContact CD2-CE1 4.26Å; F185-F204 HydrophobicContact CE1-CE1 4.44Å; F185-F204 HydrophobicContact CE1-CE2 4.5Å; F185-F204 AromaticContact CE1-CZ 3.96Å; F185-F204 HydrophobicContact CE1-CZ 3.96Å; F185-F204 AromaticContact CE2-CD1 3.77Å; F185-F204 HydrophobicContact CE2-CD1 3.77Å; F185-F204 HydrophobicContact CE2-CD2 4.17Å; F185-F204 AromaticContact CE2-CE1 3.47Å; F185-F204 HydrophobicContact CE2-CE1 3.47Å; F185-F204 VanDerWaalsContact CE2-CE1 3.47Å; F185-F204 AromaticContact CE2-CE2 3.89Å; F185-F204 HydrophobicContact CE2-CE2 3.89Å; F185-F204 HydrophobicContact CE2-CG 4.12Å; F185-F204 AromaticContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CE2-CZ 3.55Å; F185-F204 HydrophobicContact CZ-CD1 4.26Å; F185-F204 HydrophobicContact CZ-CD2 4.15Å; F185-F204 AromaticContact CZ-CE1 3.61Å; F185-F204 HydrophobicContact CZ-CE1 3.61Å; F185-F204 AromaticContact CZ-CE2 3.46Å; F185-F204 HydrophobicContact CZ-CE2 3.46Å; F185-F204 VanDerWaalsContact CZ-CE2 3.46Å; F185-F204 AromaticContact CZ-CZ 3.16Å; F185-F204 HydrophobicContact CZ-CZ 3.16Å; Q200-F204 PolarHBondContact O-N 3Å; Q200-F204 VanDerWaalsContact O-N 3.09Å; K201-F204 PolarHBondContact O-N 2.66Å; F204-I206 VanDerWaalsContact C-N 3.27Å; F204-I206 PolarHBondContact O-N 3.35Å; F204-L207 HydrophobicContact CD1-CD1 4.2Å; F204-L207 PolarHBondContact O-N 3.48Å; F204-Y208 WeakPolarHBondContact O-CB 3.48Å; F204-Y208 PolarHBondContact O-N 3.2Å; F204-W228 HydrophobicContact CE1-CZ3 4.47Å; F204-I231 HydrophobicContact CE1-CG2 4.03Å; F204-I231 HydrophobicContact CZ-CG2 3.97Å; F204-L232 HydrophobicContact CD1-CD2 4.15Å; F204-L232 HydrophobicContact CE1-CD2 3.64Å; F204-L232 HydrophobicContact CE1-CG 4.48Å; F204-L232 HydrophobicContact CZ-CD2 3.86Å; F204-V235 HydrophobicContact CE2-CB 4.1Å; F204-V235 HydrophobicContact CE2-CG1 3.98Å; F204-V235 HydrophobicContact CE2-CG2 3.95Å; F204-V235 HydrophobicContact CZ-CB 4.28Å; F204-V235 HydrophobicContact CZ-CG2 3.89Å; F204-W263 HydrophobicContact CB-CB 3.7Å; F204-W263 HydrophobicContact CD2-CB 4.47Å; F204-A264 HydrophobicContact CD2-CB 4.06Å; F204-A264 HydrophobicContact CE2-CB 3.63Å; F204-A264 HydrophobicContact CZ-CB 4.14Å; F204-I267 HydrophobicContact CB-CD1 3.97Å; F204-I267 HydrophobicContact CD1-CD1 4.05Å; F204-I267 HydrophobicContact CG-CD1 4.23Å |
| 205 | K | 94.4 | Very high | 91.7 | Very high | 41 Ų | 41 | 22 Ų | 22 | 18% | 0.178 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -58.7 | -38.9 | 172.4 | -80.3 | -159.8 | 69.4 | 178.8 | 0 | 113 | Y153 K201 Q202 I203 A209 W263 | Y153-K205 HydrophobicContact CD2-CB 4.31Å; Y153-K205 HydrophobicContact CE2-CB 4.16Å; Y153-K205 WeakPolarHBondContact OH-CE 3.47Å; Y153-K205 PolarHBondContact OH-NZ 2.89Å; K201-K205 PolarHBondContact O-N 3.27Å; Q202-K205 WeakPolarHBondContact O-CB 3.38Å; Q202-K205 PolarHBondContact O-N 2.99Å; I203-K205 VanDerWaalsContact C-N 3.32Å; I203-K205 PolarHBondContact O-N 3.41Å; K205-A209 WeakPolarHBondContact O-CB 3.3Å; K205-A209 PolarHBondContact O-N 3Å; K205-A209 VanDerWaalsContact O-N 3.1Å; K205-W263 HydrophobicContact CD-CZ2 3.81Å; K205-W263 HydrophobicContact CG-CD2 3.71Å; K205-W263 HydrophobicContact CG-CE3 4.3Å; K205-W263 HydrophobicContact CG-CG 4.08Å; K205-W263 HydrophobicContact CG-CH2 4.3Å; K205-W263 HydrophobicContact CG-CZ2 3.71Å |
| 206 | I | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -65.9 | -46.7 | 177.3 | -65 | 165.9 | 0 | 0 | 0 | 110 | L149 L152 Y153 V156 M174 L181 Q202 I203 F204 Y208 A209 L210 | L149-I206 HydrophobicContact CB-CD1 4.05Å; L149-I206 HydrophobicContact CD2-CD1 3.73Å; L149-I206 HydrophobicContact CG-CD1 4.47Å; L149-I206 WeakPolarHBondContact O-CD1 3.49Å; L152-I206 HydrophobicContact CB-CD1 4.24Å; L152-I206 HydrophobicContact CD2-CD1 4.11Å; L152-I206 HydrophobicContact CD2-CG2 4.32Å; L152-I206 HydrophobicContact CG-CD1 4.14Å; L152-I206 HydrophobicContact CG-CG2 4.18Å; Y153-I206 HydrophobicContact CD2-CG1 4.09Å; Y153-I206 HydrophobicContact CG-CG1 4.4Å; V156-I206 HydrophobicContact CG2-CG2 3.81Å; M174-I206 HydrophobicContact CE-CG2 4.24Å; L181-I206 HydrophobicContact CD1-CG2 4.26Å; Q202-I206 WeakPolarHBondContact O-CG1 3.48Å; Q202-I206 PolarHBondContact O-N 3.07Å; I203-I206 WeakPolarHBondContact O-CB 3.37Å; I203-I206 PolarHBondContact O-N 2.66Å; I203-I206 VanDerWaalsContact O-N 3.12Å; F204-I206 VanDerWaalsContact C-N 3.27Å; F204-I206 PolarHBondContact O-N 3.35Å; I206-Y208 PolarHBondContact O-N 3.34Å; I206-A209 PolarHBondContact O-N 3.46Å; I206-L210 WeakPolarHBondContact O-CB 3.4Å; I206-L210 PolarHBondContact O-N 3.42Å |
| 207 | L | 93.9 | Very high | 91.3 | Very high | 3 Ų | 3 | 19.6 Ų | 19.6 | 2% | 0.016 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -63.6 | -41.1 | 178 | -64.7 | -179.5 | 0 | 0 | 0 | 112.5 | M178 I203 F204 L210 F211 W228 I267 | M178-L207 HydrophobicContact CE-CD2 4Å; M178-L207 HydrophobicContact SD-CD2 3.41Å; M178-L207 WeakPolarHBondContact SD-CD2 3.45Å; I203-L207 PolarHBondContact O-N 3.05Å; F204-L207 HydrophobicContact CD1-CD1 4.2Å; F204-L207 PolarHBondContact O-N 3.48Å; L207-L210 WeakPolarHBondContact O-CB 3.44Å; L207-L210 PolarHBondContact O-N 3.49Å; L207-F211 HydrophobicContact CB-CE2 4.26Å; L207-F211 HydrophobicContact CD2-CZ 4.47Å; L207-F211 WeakPolarHBondContact O-CD2 3.37Å; L207-F211 VanDerWaalsContact O-CG 3.28Å; L207-F211 WeakPolarHBondContact O-CG 3.33Å; L207-F211 PolarHBondContact O-N 2.97Å; L207-W228 HydrophobicContact CD1-CD2 3.93Å; L207-W228 HydrophobicContact CD1-CE3 3.58Å; L207-W228 HydrophobicContact CD1-CH2 3.63Å; L207-W228 HydrophobicContact CD1-CZ2 3.95Å; L207-W228 HydrophobicContact CD1-CZ3 3.44Å; L207-W228 VanDerWaalsContact CD1-CZ3 3.44Å; L207-W228 HydrophobicContact CD2-CZ2 4.23Å; L207-I267 HydrophobicContact CB-CD1 4Å |
| 208 | Y | 93.3 | Very high | 91 | Very high | 13 Ų | 13 | 25.7 Ų | 25.7 | 5% | 0.051 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -62.7 | -49.5 | 177.5 | -176.9 | -91.9 | 0 | 0 | 0 | 111.5 | F204 I206 L210 F211 Q212 W263 H266 I267 R270 | F204-Y208 WeakPolarHBondContact O-CB 3.48Å; F204-Y208 PolarHBondContact O-N 3.2Å; I206-Y208 PolarHBondContact O-N 3.34Å; Y208-L210 PolarHBondContact O-N 3.36Å; Y208-F211 CarbonylContact O-C 3.59Å; Y208-F211 PolarHBondContact O-N 3Å; Y208-Q212 HydrophobicContact CD1-CB 4.3Å; Y208-Q212 HydrophobicContact CE1-CB 4.01Å; Y208-Q212 VanDerWaalsContact CE1-CD 3.45Å; Y208-Q212 HydrophobicContact CE1-CG 3.91Å; Y208-Q212 WeakPolarHBondContact O-CB 3.26Å; Y208-Q212 PolarHBondContact O-N 3.21Å; Y208-W263 HydrophobicContact CD1-CE3 4.2Å; Y208-W263 HydrophobicContact CD1-CH2 4.3Å; Y208-W263 AromaticContact CD1-CZ3 3.41Å; Y208-W263 HydrophobicContact CD1-CZ3 3.41Å; Y208-W263 VanDerWaalsContact CD1-CZ3 3.41Å; Y208-W263 HydrophobicContact CD2-CE3 4.37Å; Y208-W263 HydrophobicContact CD2-CZ3 4.25Å; Y208-W263 AromaticContact CE1-CZ3 3.9Å; Y208-W263 HydrophobicContact CE1-CZ3 3.9Å; Y208-W263 AromaticContact CG-CE3 3.88Å; Y208-W263 HydrophobicContact CG-CE3 3.88Å; Y208-W263 AromaticContact CG-CZ3 3.57Å; Y208-W263 HydrophobicContact CG-CZ3 3.57Å; Y208-H266 HydrophobicContact CD2-CB 4.22Å; Y208-H266 AromaticContact CD2-CG 3.99Å; Y208-H266 AromaticContact CD2-ND1 3.97Å; Y208-H266 AromaticContact CE1-CE1 3.92Å; Y208-H266 AromaticContact CE1-ND1 3.99Å; Y208-H266 HydrophobicContact CE2-CB 4.06Å; Y208-H266 AromaticContact CE2-CD2 3.64Å; Y208-H266 AromaticContact CE2-CE1 3.65Å; Y208-H266 AromaticContact CE2-CG 3.39Å; Y208-H266 AromaticContact CE2-ND1 3.39Å; Y208-H266 WeakPolarHBondContact CE2-ND1 3.36Å; Y208-H266 AromaticContact CE2-NE2 3.77Å; Y208-H266 AromaticContact CZ-CD2 3.96Å; Y208-H266 AromaticContact CZ-CE1 3.24Å; Y208-H266 AromaticContact CZ-CG 3.86Å; Y208-H266 AromaticContact CZ-ND1 3.4Å; Y208-H266 AromaticContact CZ-NE2 3.57Å; Y208-H266 PolarHBondContact OH-CE1 3.44Å; Y208-H266 PolarHBondContact OH-NE2 3.08Å; Y208-I267 HydrophobicContact CD2-CG1 3.99Å; Y208-I267 HydrophobicContact CG-CG1 4.47Å; Y208-R270 HydrophobicContact CE2-CB 4.09Å; Y208-R270 HydrophobicContact CE2-CG 4.36Å |
| 209 | A | 91.1 | Very high | 90.6 | Very high | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -61.2 | -27.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | Y153 V156 K205 I206 | Y153-A209 HydrophobicContact CE2-CB 3.96Å; V156-A209 HydrophobicContact CG1-CB 3.81Å; K205-A209 WeakPolarHBondContact O-CB 3.3Å; K205-A209 PolarHBondContact O-N 3Å; K205-A209 VanDerWaalsContact O-N 3.1Å; I206-A209 PolarHBondContact O-N 3.46Å |
| 210 | L | 91.2 | Very high | 90.2 | Very high | 1 Ų | 1 | 23.3 Ų | 23.3 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -69.9 | -39.4 | 173 | -178 | 64.5 | 0 | 0 | 0 | 112 | V156 R167 L170 M174 M178 I206 L207 Y208 P216 L219 | V156-L210 HydrophobicContact CG1-CB 4.09Å; R167-L210 PolarHBondContact NH2-O 3.11Å; L170-L210 HydrophobicContact CD2-CD1 4.01Å; L170-L210 HydrophobicContact CG-CD1 4.49Å; M174-L210 HydrophobicContact CE-CD2 3.86Å; M174-L210 HydrophobicContact CG-CD1 4.22Å; M174-L210 HydrophobicContact CG-CD2 4.33Å; M178-L210 HydrophobicContact SD-CD2 4.2Å; I206-L210 WeakPolarHBondContact O-CB 3.4Å; I206-L210 PolarHBondContact O-N 3.42Å; L207-L210 WeakPolarHBondContact O-CB 3.44Å; L207-L210 PolarHBondContact O-N 3.49Å; Y208-L210 PolarHBondContact O-N 3.36Å; L210-P216 HydrophobicContact CD1-CG 4.23Å; L210-P216 HydrophobicContact CG-CG 4.24Å; L210-L219 HydrophobicContact CD2-CD1 4.05Å |
| 211 | F | 89.9 | Confident | 89.6 | Confident | 14 Ų | 14 | 27.3 Ų | 27.3 | 6% | 0.061 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -100.2 | -11.3 | -170.7 | -57.9 | -25.3 | 0 | 0 | 0 | 115.3 | M178 L207 Y208 Y213 N214 L215 I220 I267 L271 Y275 | M178-F211 HydrophobicContact CE-CZ 4.07Å; L207-F211 HydrophobicContact CB-CE2 4.26Å; L207-F211 HydrophobicContact CD2-CZ 4.47Å; L207-F211 WeakPolarHBondContact O-CD2 3.37Å; L207-F211 VanDerWaalsContact O-CG 3.28Å; L207-F211 WeakPolarHBondContact O-CG 3.33Å; L207-F211 PolarHBondContact O-N 2.97Å; Y208-F211 CarbonylContact O-C 3.59Å; Y208-F211 PolarHBondContact O-N 3Å; F211-Y213 PolarHBondContact O-N 3.31Å; F211-N214 WeakPolarHBondContact CA-O 3.32Å; F211-L215 HydrophobicContact CB-CD1 4.14Å; F211-L215 HydrophobicContact CD1-CD1 3.71Å; F211-L215 HydrophobicContact CE1-CD1 4.23Å; F211-L215 HydrophobicContact CG-CD1 3.88Å; F211-I220 HydrophobicContact CD1-CD1 4.25Å; F211-I220 HydrophobicContact CE1-CD1 3.64Å; F211-I220 HydrophobicContact CE1-CG1 4.35Å; F211-I220 HydrophobicContact CZ-CD1 3.84Å; F211-I220 HydrophobicContact CZ-CG1 4.47Å; F211-I267 HydrophobicContact CD2-CG2 4.37Å; F211-L271 HydrophobicContact CD2-CD2 4.49Å; F211-Y275 WeakPolarHBondContact O-CE2 3.43Å; F211-Y275 PolarHBondContact O-OH 3.07Å |
| 212 | Q | 87.2 | Confident | 89.1 | Confident | 27 Ų | 27 | 32.5 Ų | 32.5 | 13% | 0.126 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -61.6 | -44.1 | -170 | 179 | 176.6 | -11 | 0 | 0 | 113.8 | E160 Y208 R274 | E160-Q212 PolarHBondContact OE1-OE1 3.38Å; Y208-Q212 HydrophobicContact CD1-CB 4.3Å; Y208-Q212 HydrophobicContact CE1-CB 4.01Å; Y208-Q212 VanDerWaalsContact CE1-CD 3.45Å; Y208-Q212 HydrophobicContact CE1-CG 3.91Å; Y208-Q212 WeakPolarHBondContact O-CB 3.26Å; Y208-Q212 PolarHBondContact O-N 3.21Å; Q212-R274 PolarHBondContact O-NH1 3.45Å |
| 213 | Y | 85.2 | Confident | 88.7 | Confident | 86 Ų | 86 | 38.4 Ų | 38.4 | 34% | 0.337 | 18% | 0.176 | S | C | . | . | S | Bend | trans | -109.7 | -25.2 | -175 | -64 | -71.4 | 0 | 0 | 0 | 114.2 | E160 Y161 F211 R274 Y275 | E160-Y213 HydrophobicContact CG-CD2 3.69Å; E160-Y213 HydrophobicContact CG-CE2 3.74Å; Y161-Y213 HydrophobicContact CD1-CD2 4.38Å; Y161-Y213 HydrophobicContact CD1-CE2 4Å; Y161-Y213 HydrophobicContact CE1-CD2 4.27Å; Y161-Y213 HydrophobicContact CE1-CE1 4.45Å; Y161-Y213 AromaticContact CE1-CE2 3.46Å; Y161-Y213 HydrophobicContact CE1-CE2 3.46Å; Y161-Y213 VanDerWaalsContact CE1-CE2 3.46Å; Y161-Y213 AromaticContact CE1-CZ 3.57Å; Y161-Y213 AromaticContact CZ-CE2 4Å; F211-Y213 PolarHBondContact O-N 3.31Å; Y213-R274 PolarHBondContact O-NH2 2.93Å; Y213-Y275 VanDerWaalsContact C-OH 3.23Å; Y213-Y275 PolarHBondContact O-OH 3.13Å |
| 214 | N | 85.6 | Confident | 88.2 | Confident | 28 Ų | 28 | 40.3 Ų | 40.3 | 15% | 0.15 | 19% | 0.186 | C | C | . | . | trans | -145.5 | 134.4 | 177.7 | 179.1 | -89.7 | 0 | 0 | 0 | 109.1 | F211 P216 Y275 Y285 | F211-N214 WeakPolarHBondContact CA-O 3.32Å; N214-P216 VanDerWaalsContact O-CD 3.3Å; N214-P216 WeakPolarHBondContact O-CD 3.36Å; N214-Y275 WeakPolarHBondContact CA-OH 3.38Å; N214-Y275 PolarHBondContact N-OH 3.39Å; N214-Y275 VanDerWaalsContact N-OH 3.15Å; N214-Y285 PolarHBondContact ND2-OH 2.95Å | ||
| 215 | L | 87.5 | Confident | 87.8 | Confident | 2 Ų | 2 | 40.8 Ų | 40.8 | 1% | 0.01 | 19% | 0.189 | C | C | . | . | trans | -99.1 | 105.7 | 172.8 | -169.9 | 73.6 | 0 | 0 | 0 | 108.8 | F211 L217 I220 L271 Y275 Y285 F288 | F211-L215 HydrophobicContact CB-CD1 4.14Å; F211-L215 HydrophobicContact CD1-CD1 3.71Å; F211-L215 HydrophobicContact CE1-CD1 4.23Å; F211-L215 HydrophobicContact CG-CD1 3.88Å; L215-L217 HydrophobicContact CD2-CD2 4.27Å; L215-L217 PolarHBondContact O-N 3.26Å; L215-I220 HydrophobicContact CD1-CD1 3.2Å; L215-I220 HydrophobicContact CD2-CD1 4.23Å; L215-I220 HydrophobicContact CG-CD1 3.63Å; L215-L271 HydrophobicContact CD1-CD2 3.79Å; L215-Y275 HydrophobicContact CB-CD1 3.73Å; L215-Y275 HydrophobicContact CB-CD2 4.08Å; L215-Y275 HydrophobicContact CB-CE1 3.61Å; L215-Y275 HydrophobicContact CB-CE2 3.97Å; L215-Y275 HydrophobicContact CB-CG 3.97Å; L215-Y275 HydrophobicContact CD1-CD2 4.39Å; L215-Y275 HydrophobicContact CD2-CD1 4.25Å; L215-Y275 HydrophobicContact CD2-CD2 4.23Å; L215-Y275 HydrophobicContact CD2-CG 3.88Å; L215-Y275 HydrophobicContact CG-CD2 4.48Å; L215-Y275 HydrophobicContact CG-CG 4.43Å; L215-Y285 HydrophobicContact CB-CD1 4.42Å; L215-Y285 HydrophobicContact CB-CE1 3.66Å; L215-Y285 HydrophobicContact CD2-CD1 4.41Å; L215-Y285 HydrophobicContact CD2-CE1 4.37Å; L215-Y285 HydrophobicContact CG-CE1 4.45Å; L215-Y285 PolarHBondContact N-OH 2.94Å; L215-Y285 VanDerWaalsContact O-CE1 3.28Å; L215-Y285 WeakPolarHBondContact O-CE1 3.36Å; L215-Y285 PolarHBondContact O-OH 3.41Å; L215-F288 HydrophobicContact CD2-CD1 3.92Å; L215-F288 HydrophobicContact CD2-CD2 4.06Å; L215-F288 HydrophobicContact CD2-CE1 3.69Å; L215-F288 HydrophobicContact CD2-CE2 3.8Å; L215-F288 HydrophobicContact CD2-CG 4.12Å; L215-F288 HydrophobicContact CD2-CZ 3.63Å | ||
| 216 | P | 86.3 | Confident | 87.6 | Confident | 11 Ų | 11 | 41.7 Ų | 41.7 | 7% | 0.071 | 20% | 0.198 | C | C | . | . | trans | -74.8 | 95.3 | -178.4 | 28.6 | -33.8 | 0 | 0 | 0 | 110.1 | V171 L210 N214 E218 L219 I220 | V171-P216 HydrophobicContact CG2-CB 4.25Å; L210-P216 HydrophobicContact CD1-CG 4.23Å; L210-P216 HydrophobicContact CG-CG 4.24Å; N214-P216 VanDerWaalsContact O-CD 3.3Å; N214-P216 WeakPolarHBondContact O-CD 3.36Å; P216-E218 PolarHBondContact O-N 3.48Å; P216-E218 VanDerWaalsContact O-N 3.13Å; P216-L219 HydrophobicContact CB-CB 4.46Å; P216-L219 HydrophobicContact CB-CD1 4.03Å; P216-L219 HydrophobicContact CB-CG 4.11Å; P216-L219 HydrophobicContact CG-CB 4.23Å; P216-L219 HydrophobicContact CG-CD1 3.62Å; P216-L219 HydrophobicContact CG-CG 4.09Å; P216-L219 WeakPolarHBondContact O-CB 3.28Å; P216-L219 PolarHBondContact O-N 3.44Å; P216-I220 PolarHBondContact O-N 3.49Å | ||
| 217 | L | 84.8 | Confident | 87.5 | Confident | 72 Ų | 72 | 44.3 Ų | 44.3 | 38% | 0.377 | 21% | 0.21 | S | C | . | . | G | 310 helix | trans | -57.5 | -28.2 | -177.5 | -66.6 | 177.7 | 0 | 0 | 0 | 113.1 | L215 L219 I220 E284 Y285 F288 | L215-L217 HydrophobicContact CD2-CD2 4.27Å; L215-L217 PolarHBondContact O-N 3.26Å; L217-L219 PolarHBondContact O-N 3.45Å; L217-I220 CarbonylContact O-C 3.55Å; L217-I220 PolarHBondContact O-N 3.29Å; L217-I220 VanDerWaalsContact O-N 3.14Å; L217-E284 WeakPolarHBondContact CD1-O 3.37Å; L217-Y285 HydrophobicContact CD1-CD1 4Å; L217-Y285 HydrophobicContact CD1-CE1 4.03Å; L217-Y285 HydrophobicContact CD2-CD1 3.91Å; L217-Y285 HydrophobicContact CD2-CE1 3.99Å; L217-Y285 HydrophobicContact CG-CD1 4.08Å; L217-Y285 HydrophobicContact CG-CE1 3.82Å; L217-F288 HydrophobicContact CD2-CB 4.2Å; L217-F288 HydrophobicContact CD2-CD2 4.38Å; L217-F288 HydrophobicContact CD2-CG 4.45Å |
| 218 | E | 84.3 | Confident | 87.4 | Confident | 127 Ų | 127 | 44.8 Ų | 44.8 | 59% | 0.593 | 21% | 0.212 | S | C | * | . | G | 310 helix | trans | -60.7 | -30.7 | 174.1 | -62.5 | -179.7 | -161.5 | 0 | 0 | 113.2 | V171 H175 P216 | V171-E218 HydrophobicContact CG1-CB 4.48Å; H175-E218 PolarHBondContact CE1-O 3.38Å; P216-E218 PolarHBondContact O-N 3.48Å; P216-E218 VanDerWaalsContact O-N 3.13Å |
| 219 | L | 83.9 | Confident | 87.4 | Confident | 5 Ų | 5 | 44.3 Ų | 44.3 | 3% | 0.026 | 21% | 0.21 | C | C | . | . | G | 310 helix | trans | -86.2 | -19.7 | 178 | -61.2 | -177.6 | 0 | 0 | 0 | 112.7 | V171 M174 H175 L210 P216 L217 I224 | V171-L219 HydrophobicContact CG1-CD1 4.5Å; V171-L219 HydrophobicContact CG1-CD2 4.1Å; V171-L219 HydrophobicContact CG1-CG 4.14Å; M174-L219 HydrophobicContact CB-CD1 3.56Å; M174-L219 HydrophobicContact CB-CD2 4.37Å; H175-L219 HydrophobicContact CB-CD2 4.19Å; H175-L219 VanDerWaalsContact CG-CD2 3.47Å; H175-L219 WeakPolarHBondContact ND1-CD2 3.45Å; L210-L219 HydrophobicContact CD2-CD1 4.05Å; P216-L219 HydrophobicContact CB-CB 4.46Å; P216-L219 HydrophobicContact CB-CD1 4.03Å; P216-L219 HydrophobicContact CB-CG 4.11Å; P216-L219 HydrophobicContact CG-CB 4.23Å; P216-L219 HydrophobicContact CG-CD1 3.62Å; P216-L219 HydrophobicContact CG-CG 4.09Å; P216-L219 WeakPolarHBondContact O-CB 3.28Å; P216-L219 PolarHBondContact O-N 3.44Å; L217-L219 PolarHBondContact O-N 3.45Å; L219-I224 WeakPolarHBondContact O-CD1 3.48Å |
| 220 | I | 83.8 | Confident | 87.5 | Confident | 17 Ų | 17 | 49 Ų | 49 | 9% | 0.087 | 23% | 0.232 | C | C | . | . | trans | -116.4 | 88.2 | -168.7 | -54.1 | -177.1 | 0 | 0 | 0 | 109.7 | F211 L215 P216 L217 L225 F288 | F211-I220 HydrophobicContact CD1-CD1 4.25Å; F211-I220 HydrophobicContact CE1-CD1 3.64Å; F211-I220 HydrophobicContact CE1-CG1 4.35Å; F211-I220 HydrophobicContact CZ-CD1 3.84Å; F211-I220 HydrophobicContact CZ-CG1 4.47Å; L215-I220 HydrophobicContact CD1-CD1 3.2Å; L215-I220 HydrophobicContact CD2-CD1 4.23Å; L215-I220 HydrophobicContact CG-CD1 3.63Å; P216-I220 PolarHBondContact O-N 3.49Å; L217-I220 CarbonylContact O-C 3.55Å; L217-I220 PolarHBondContact O-N 3.29Å; L217-I220 VanDerWaalsContact O-N 3.14Å; I220-L225 HydrophobicContact CG2-CB 3.86Å; I220-L225 HydrophobicContact CG2-CD1 4.05Å; I220-L225 HydrophobicContact CG2-CD2 4.41Å; I220-L225 HydrophobicContact CG2-CG 4.33Å; I220-F288 HydrophobicContact CG2-CE2 4.04Å | ||
| 221 | N | 82.7 | Confident | 87.7 | Confident | 84 Ų | 84 | 49.4 Ų | 49.4 | 45% | 0.449 | 23% | 0.234 | S | C | . | . | trans | -89.3 | 164.8 | 163.2 | 69.1 | 42.5 | 0 | 0 | 0 | 110.8 | Q223 I224 L225 | N221-Q223 PolarHBondContact O-N 2.83Å; N221-Q223 VanDerWaalsContact O-N 3.13Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.46Å; N221-Q223 PolarHBondContact OD1-N 3.12Å; N221-I224 WeakPolarHBondContact ND2-CD1 3.24Å; N221-I224 PolarHBondContact O-N 3.37Å; N221-I224 WeakPolarHBondContact OD1-CG1 3.19Å; N221-I224 PolarHBondContact OD1-N 3.42Å; N221-L225 WeakPolarHBondContact O-CB 3.45Å; N221-L225 PolarHBondContact O-N 2.93Å | ||
| 222 | R | 84 | Confident | 88 | Confident | 142 Ų | 142 | 49 Ų | 49 | 54% | 0.536 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -52.5 | -36.2 | -179.7 | -175.8 | 173 | 178.1 | -165.1 | -3.6 | 113.8 | T226 L291 E295 Y296 | R222-T226 WeakPolarHBondContact O-CB 3.21Å; R222-T226 PolarHBondContact O-N 3.23Å; R222-T226 PolarHBondContact O-OG1 3.38Å; R222-L291 HydrophobicContact CB-CD2 4.27Å; R222-L291 HydrophobicContact CG-CD1 4.47Å; R222-L291 HydrophobicContact CG-CD2 4.17Å; R222-E295 IonicContact CZ-OE1 3.1Å; R222-E295 IonicContact CZ-OE2 3.22Å; R222-E295 VanDerWaalsContact CZ-OE2 3.22Å; R222-E295 IonicContact NE-OE1 2.82Å; R222-E295 PolarHBondContact NE-OE1 3.25Å; R222-E295 IonicContact NE-OE2 3.37Å; R222-E295 PolarHBondContact NE-OE2 3.46Å; R222-E295 IonicContact NH1-OE1 3.87Å; R222-E295 IonicContact NH2-OE1 2.59Å; R222-E295 PolarHBondContact NH2-OE1 3.31Å; R222-E295 IonicContact NH2-OE2 2.82Å; R222-E295 PolarHBondContact NH2-OE2 2.89Å; R222-Y296 PolarHBondContact O-OH 3.25Å |
| 223 | Q | 86.3 | Confident | 88.3 | Confident | 130 Ų | 130 | 49.5 Ų | 49.5 | 61% | 0.607 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -69.6 | -51.8 | 178.9 | -177.7 | -179.1 | -7.9 | 0 | 0 | 111.5 | N221 L225 T226 E227 | N221-Q223 PolarHBondContact O-N 2.83Å; N221-Q223 VanDerWaalsContact O-N 3.13Å; N221-Q223 WeakPolarHBondContact OD1-CB 3.46Å; N221-Q223 PolarHBondContact OD1-N 3.12Å; Q223-L225 VanDerWaalsContact C-N 3.29Å; Q223-L225 PolarHBondContact O-N 3.35Å; Q223-T226 WeakPolarHBondContact O-CB 3.37Å; Q223-T226 PolarHBondContact O-N 3.2Å; Q223-E227 PolarHBondContact NE2-OE1 3.48Å; Q223-E227 VanDerWaalsContact NE2-OE1 3.13Å; Q223-E227 WeakPolarHBondContact O-CG 3.41Å; Q223-E227 PolarHBondContact O-N 3.45Å |
| 224 | I | 85.9 | Confident | 88.7 | Confident | 42 Ų | 42 | 48.3 Ų | 48.3 | 22% | 0.215 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -59.7 | -43.2 | 179.8 | -68.2 | 170.9 | 0 | 0 | 0 | 110.2 | M178 L219 N221 E227 W228 | M178-I224 HydrophobicContact CE-CG2 4.42Å; L219-I224 WeakPolarHBondContact O-CD1 3.48Å; N221-I224 WeakPolarHBondContact ND2-CD1 3.24Å; N221-I224 PolarHBondContact O-N 3.37Å; N221-I224 WeakPolarHBondContact OD1-CG1 3.19Å; N221-I224 PolarHBondContact OD1-N 3.42Å; I224-E227 PolarHBondContact O-N 3.05Å; I224-W228 VanDerWaalsContact O-CD1 3.3Å; I224-W228 PolarHBondContact O-N 3.26Å |
| 225 | L | 87.3 | Confident | 89.1 | Confident | 9 Ų | 9 | 47 Ų | 47 | 5% | 0.047 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -60.2 | -48.1 | 175.8 | -176 | 61.6 | 0 | 0 | 0 | 111.5 | I220 N221 Q223 E227 W228 M229 F288 L291 Y296 | I220-L225 HydrophobicContact CG2-CB 3.86Å; I220-L225 HydrophobicContact CG2-CD1 4.05Å; I220-L225 HydrophobicContact CG2-CD2 4.41Å; I220-L225 HydrophobicContact CG2-CG 4.33Å; N221-L225 WeakPolarHBondContact O-CB 3.45Å; N221-L225 PolarHBondContact O-N 2.93Å; Q223-L225 VanDerWaalsContact C-N 3.29Å; Q223-L225 PolarHBondContact O-N 3.35Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 3.17Å; L225-W228 PolarHBondContact O-N 2.9Å; L225-M229 HydrophobicContact CD1-CG 4.07Å; L225-M229 HydrophobicContact CD1-SD 4.47Å; L225-M229 HydrophobicContact CG-CG 4.22Å; L225-M229 WeakPolarHBondContact O-CB 3.26Å; L225-M229 WeakPolarHBondContact O-CG 3.49Å; L225-M229 PolarHBondContact O-N 3.33Å; L225-F288 HydrophobicContact CD1-CE2 4.09Å; L225-F288 HydrophobicContact CD1-CZ 4.29Å; L225-F288 HydrophobicContact CD2-CD2 4.23Å; L225-F288 HydrophobicContact CD2-CE2 3.51Å; L225-F288 HydrophobicContact CD2-CZ 4.17Å; L225-F288 HydrophobicContact CG-CE2 4.43Å; L225-L291 HydrophobicContact CD2-CD2 4.44Å; L225-Y296 HydrophobicContact CD2-CD2 4.02Å; L225-Y296 HydrophobicContact CD2-CE2 3.45Å; L225-Y296 VanDerWaalsContact CD2-CE2 3.45Å; L225-Y296 HydrophobicContact CG-CD2 4.33Å; L225-Y296 HydrophobicContact CG-CE2 3.86Å |
| 226 | T | 91 | Very high | 89.4 | Confident | 60 Ų | 60 | 47 Ų | 47 | 37% | 0.368 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -56.9 | -44.6 | 178.2 | -56.6 | 0 | 0 | 0 | 0 | 111.7 | R222 Q223 M229 E230 Y296 | R222-T226 WeakPolarHBondContact O-CB 3.21Å; R222-T226 PolarHBondContact O-N 3.23Å; R222-T226 PolarHBondContact O-OG1 3.38Å; Q223-T226 WeakPolarHBondContact O-CB 3.37Å; Q223-T226 PolarHBondContact O-N 3.2Å; T226-M229 PolarHBondContact O-N 2.86Å; T226-E230 PolarHBondContact O-N 3.19Å; T226-Y296 HydrophobicContact CG2-CE1 4.25Å; T226-Y296 PolarHBondContact OG1-OH 3.42Å |
| 227 | E | 91.6 | Very high | 89.6 | Confident | 56 Ų | 56 | 49.7 Ų | 49.7 | 26% | 0.262 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -64.5 | -45.4 | -179.9 | -68.6 | 171.6 | 179 | 0 | 0 | 111.7 | K182 Q223 I224 L225 E230 I231 | K182-E227 HydrophobicContact CD-CB 4.05Å; K182-E227 WeakPolarHBondContact CD-OE2 3.45Å; K182-E227 WeakPolarHBondContact CE-OE2 3.39Å; K182-E227 IonicContact NZ-OE1 2.74Å; K182-E227 IonicContact NZ-OE2 2.76Å; K182-E227 PolarHBondContact NZ-OE2 3.21Å; Q223-E227 PolarHBondContact NE2-OE1 3.48Å; Q223-E227 VanDerWaalsContact NE2-OE1 3.13Å; Q223-E227 WeakPolarHBondContact O-CG 3.41Å; Q223-E227 PolarHBondContact O-N 3.45Å; I224-E227 PolarHBondContact O-N 3.05Å; L225-E227 VanDerWaalsContact C-N 3.29Å; L225-E227 PolarHBondContact O-N 3.17Å; E227-E230 PolarHBondContact O-N 3.14Å; E227-I231 WeakPolarHBondContact O-CG1 3.15Å; E227-I231 PolarHBondContact O-N 2.73Å; E227-I231 VanDerWaalsContact O-N 3.1Å |
| 228 | W | 93.1 | Very high | 89.9 | Confident | 13 Ų | 13 | 47.8 Ų | 47.8 | 5% | 0.049 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -67.5 | -39.3 | 176.5 | -80.2 | 115 | 0 | 0 | 0 | 112.8 | L181 K182 F185 I203 F204 L207 I224 L225 E230 I231 L232 | L181-W228 HydrophobicContact CB-CH2 4.22Å; L181-W228 HydrophobicContact CB-CZ2 4.26Å; K182-W228 HydrophobicContact CB-CH2 4.07Å; K182-W228 HydrophobicContact CB-CZ2 3.65Å; K182-W228 HydrophobicContact CG-CZ2 4.41Å; F185-W228 HydrophobicContact CD2-CZ3 4.33Å; F185-W228 HydrophobicContact CG-CZ3 4.48Å; I203-W228 HydrophobicContact CG2-CH2 4.04Å; I203-W228 HydrophobicContact CG2-CZ3 4.49Å; F204-W228 HydrophobicContact CE1-CZ3 4.47Å; L207-W228 HydrophobicContact CD1-CD2 3.93Å; L207-W228 HydrophobicContact CD1-CE3 3.58Å; L207-W228 HydrophobicContact CD1-CH2 3.63Å; L207-W228 HydrophobicContact CD1-CZ2 3.95Å; L207-W228 HydrophobicContact CD1-CZ3 3.44Å; L207-W228 VanDerWaalsContact CD1-CZ3 3.44Å; L207-W228 HydrophobicContact CD2-CZ2 4.23Å; I224-W228 VanDerWaalsContact O-CD1 3.3Å; I224-W228 PolarHBondContact O-N 3.26Å; L225-W228 PolarHBondContact O-N 2.9Å; W228-E230 VanDerWaalsContact C-N 3.28Å; W228-E230 PolarHBondContact O-N 3.42Å; W228-I231 HydrophobicContact CD2-CD1 4.43Å; W228-I231 HydrophobicContact CE3-CB 4.34Å; W228-I231 HydrophobicContact CE3-CD1 3.83Å; W228-I231 HydrophobicContact CE3-CG2 4.31Å; W228-I231 HydrophobicContact CZ3-CD1 3.97Å; W228-I231 HydrophobicContact CZ3-CG2 4.34Å; W228-I231 PolarHBondContact O-N 2.95Å; W228-L232 VanDerWaalsContact O-CG 3.26Å; W228-L232 WeakPolarHBondContact O-CG 3.34Å; W228-L232 PolarHBondContact O-N 3.43Å |
| 229 | M | 93 | Very high | 90 | Very high | 2 Ų | 2 | 46.8 Ų | 46.8 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -61.7 | -37.9 | 175.1 | -71.2 | -55.6 | -58.1 | 0 | 0 | 111.6 | L225 T226 L232 K233 L268 L271 F292 Y296 A300 | L225-M229 HydrophobicContact CD1-CG 4.07Å; L225-M229 HydrophobicContact CD1-SD 4.47Å; L225-M229 HydrophobicContact CG-CG 4.22Å; L225-M229 WeakPolarHBondContact O-CB 3.26Å; L225-M229 WeakPolarHBondContact O-CG 3.49Å; L225-M229 PolarHBondContact O-N 3.33Å; T226-M229 PolarHBondContact O-N 2.86Å; M229-L232 PolarHBondContact O-N 3.29Å; M229-L232 HydrophobicContact SD-CD1 4.08Å; M229-K233 WeakPolarHBondContact O-CB 3.39Å; M229-K233 WeakPolarHBondContact O-CE 3.48Å; M229-K233 VanDerWaalsContact O-CG 3.28Å; M229-K233 WeakPolarHBondContact O-CG 3.4Å; M229-K233 PolarHBondContact O-N 2.88Å; M229-L268 HydrophobicContact CE-CD2 3.17Å; M229-L268 HydrophobicContact SD-CD2 3.88Å; M229-L271 HydrophobicContact SD-CD1 4.21Å; M229-F292 HydrophobicContact CE-CE2 4.06Å; M229-F292 HydrophobicContact CE-CZ 4.47Å; M229-F292 HydrophobicContact SD-CE2 4.01Å; M229-Y296 HydrophobicContact CB-CD1 4.11Å; M229-Y296 HydrophobicContact CB-CG 4.5Å; M229-Y296 HydrophobicContact CG-CD1 4.04Å; M229-Y296 HydrophobicContact CG-CD2 4.43Å; M229-Y296 HydrophobicContact CG-CG 3.99Å; M229-A300 HydrophobicContact CE-CB 4.47Å |
| 230 | E | 93.4 | Very high | 90.1 | Very high | 102 Ų | 102 | 47.8 Ų | 47.8 | 48% | 0.477 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -65.6 | -41.9 | 174.5 | -164.6 | 65.8 | -170.2 | 0 | 0 | 112 | T226 E227 W228 K233 T234 | T226-E230 PolarHBondContact O-N 3.19Å; E227-E230 PolarHBondContact O-N 3.14Å; W228-E230 VanDerWaalsContact C-N 3.28Å; W228-E230 PolarHBondContact O-N 3.42Å; E230-K233 WeakPolarHBondContact OE2-CE 3.49Å; E230-K233 IonicContact OE2-NZ 3.46Å; E230-K233 PolarHBondContact OE2-NZ 3.1Å; E230-T234 WeakPolarHBondContact O-CB 3.29Å; E230-T234 PolarHBondContact O-N 3.48Å; E230-T234 PolarHBondContact O-OG1 2.7Å |
| 231 | I | 94.9 | Very high | 90.2 | Very high | 9 Ų | 9 | 48.4 Ų | 48.4 | 5% | 0.046 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -61.2 | -48.8 | 175.1 | -69.5 | 167.5 | 0 | 0 | 0 | 110.8 | K182 F185 I186 F204 E227 W228 K233 T234 V235 | K182-I231 HydrophobicContact CG-CD1 3.78Å; F185-I231 HydrophobicContact CD1-CG2 3.41Å; F185-I231 VanDerWaalsContact CD1-CG2 3.41Å; F185-I231 HydrophobicContact CE1-CG2 3.44Å; F185-I231 VanDerWaalsContact CE1-CG2 3.44Å; F185-I231 HydrophobicContact CG-CG2 4.02Å; F185-I231 HydrophobicContact CZ-CG2 4.05Å; I186-I231 HydrophobicContact CD1-CD1 4.45Å; I186-I231 HydrophobicContact CG1-CD1 4.09Å; I186-I231 HydrophobicContact CG1-CG1 4.45Å; F204-I231 HydrophobicContact CE1-CG2 4.03Å; F204-I231 HydrophobicContact CZ-CG2 3.97Å; E227-I231 WeakPolarHBondContact O-CG1 3.15Å; E227-I231 PolarHBondContact O-N 2.73Å; E227-I231 VanDerWaalsContact O-N 3.1Å; W228-I231 HydrophobicContact CD2-CD1 4.43Å; W228-I231 HydrophobicContact CE3-CB 4.34Å; W228-I231 HydrophobicContact CE3-CD1 3.83Å; W228-I231 HydrophobicContact CE3-CG2 4.31Å; W228-I231 HydrophobicContact CZ3-CD1 3.97Å; W228-I231 HydrophobicContact CZ3-CG2 4.34Å; W228-I231 PolarHBondContact O-N 2.95Å; I231-K233 PolarHBondContact O-N 2.99Å; I231-T234 PolarHBondContact O-N 3.09Å; I231-V235 WeakPolarHBondContact O-CG2 3.34Å; I231-V235 PolarHBondContact O-N 3.47Å |
| 232 | L | 95.3 | Very high | 90.1 | Very high | 4 Ų | 4 | 49 Ų | 49 | 2% | 0.021 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -58.1 | -50.9 | 179.6 | -69.9 | 167.8 | 0 | 0 | 0 | 110.6 | F204 W228 M229 T234 V235 V236 A264 I267 L268 | F204-L232 HydrophobicContact CD1-CD2 4.15Å; F204-L232 HydrophobicContact CE1-CD2 3.64Å; F204-L232 HydrophobicContact CE1-CG 4.48Å; F204-L232 HydrophobicContact CZ-CD2 3.86Å; W228-L232 VanDerWaalsContact O-CG 3.26Å; W228-L232 WeakPolarHBondContact O-CG 3.34Å; W228-L232 PolarHBondContact O-N 3.43Å; M229-L232 PolarHBondContact O-N 3.29Å; M229-L232 HydrophobicContact SD-CD1 4.08Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 3Å; L232-V235 PolarHBondContact O-N 3.26Å; L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.45Å; L232-V236 PolarHBondContact O-N 3.14Å; L232-A264 HydrophobicContact CD2-CB 3.92Å; L232-I267 HydrophobicContact CD1-CB 4.49Å; L232-I267 HydrophobicContact CD1-CG2 3.84Å; L232-I267 HydrophobicContact CD2-CB 4.21Å; L232-I267 HydrophobicContact CD2-CD1 4.08Å; L232-I267 HydrophobicContact CD2-CG2 4.31Å; L232-L268 HydrophobicContact CB-CD1 4.28Å; L232-L268 HydrophobicContact CB-CD2 4.02Å; L232-L268 HydrophobicContact CB-CG 4.16Å; L232-L268 HydrophobicContact CD1-CD2 3.81Å; L232-L268 HydrophobicContact CD1-CG 4.19Å |
| 233 | K | 93.9 | Very high | 89.9 | Confident | 39 Ų | 39 | 47.8 Ų | 47.8 | 17% | 0.17 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -57.9 | -44.7 | 176 | -73.7 | -178.1 | -53.1 | 174.9 | 0 | 112.2 | M229 E230 I231 V235 V236 D237 A299 V303 | M229-K233 WeakPolarHBondContact O-CB 3.39Å; M229-K233 WeakPolarHBondContact O-CE 3.48Å; M229-K233 VanDerWaalsContact O-CG 3.28Å; M229-K233 WeakPolarHBondContact O-CG 3.4Å; M229-K233 PolarHBondContact O-N 2.88Å; E230-K233 WeakPolarHBondContact OE2-CE 3.49Å; E230-K233 IonicContact OE2-NZ 3.46Å; E230-K233 PolarHBondContact OE2-NZ 3.1Å; I231-K233 PolarHBondContact O-N 2.99Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 2.81Å; K233-V236 PolarHBondContact O-N 3.11Å; K233-D237 WeakPolarHBondContact O-CB 3.48Å; K233-D237 PolarHBondContact O-N 3.32Å; K233-A299 HydrophobicContact CD-CB 4.12Å; K233-V303 HydrophobicContact CB-CG2 4.24Å; K233-V303 HydrophobicContact CG-CG2 4.28Å |
| 234 | T | 94.3 | Very high | 89.5 | Confident | 61 Ų | 61 | 42 Ų | 42 | 37% | 0.374 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -60.5 | -42.7 | -179.6 | -59.7 | 0 | 0 | 0 | 0 | 111.4 | L189 E230 I231 L232 D237 R238 | L189-T234 HydrophobicContact CD1-CG2 4.49Å; E230-T234 WeakPolarHBondContact O-CB 3.29Å; E230-T234 PolarHBondContact O-N 3.48Å; E230-T234 PolarHBondContact O-OG1 2.7Å; I231-T234 PolarHBondContact O-N 3.09Å; L232-T234 VanDerWaalsContact C-N 3.34Å; L232-T234 PolarHBondContact O-N 3Å; T234-D237 PolarHBondContact O-N 3.49Å; T234-R238 WeakPolarHBondContact O-CB 3.39Å; T234-R238 PolarHBondContact O-N 3.06Å |
| 235 | V | 94.3 | Very high | 89.1 | Confident | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -69.2 | -37.8 | 178.6 | 175.9 | 0 | 0 | 0 | 0 | 111.9 | F185 L189 F204 I231 L232 K233 K261 A264 | F185-V235 HydrophobicContact CE1-CG2 3.66Å; F185-V235 HydrophobicContact CZ-CG2 3.85Å; L189-V235 HydrophobicContact CD2-CG2 3.94Å; F204-V235 HydrophobicContact CE2-CB 4.1Å; F204-V235 HydrophobicContact CE2-CG1 3.98Å; F204-V235 HydrophobicContact CE2-CG2 3.95Å; F204-V235 HydrophobicContact CZ-CB 4.28Å; F204-V235 HydrophobicContact CZ-CG2 3.89Å; I231-V235 WeakPolarHBondContact O-CG2 3.34Å; I231-V235 PolarHBondContact O-N 3.47Å; L232-V235 PolarHBondContact O-N 3.26Å; K233-V235 VanDerWaalsContact C-N 3.33Å; K233-V235 PolarHBondContact O-N 2.81Å; V235-K261 HydrophobicContact CG1-CG 4.44Å; V235-A264 HydrophobicContact CG1-CB 4.39Å |
| 236 | V | 92.9 | Very high | 88.8 | Confident | 3 Ų | 3 | 51.6 Ų | 51.6 | 2% | 0.018 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.3 | -41 | 176.3 | 179.6 | 0 | 0 | 0 | 0 | 110.9 | L232 K233 R238 K261 A264 L265 L268 V303 L304 V307 | L232-V236 VanDerWaalsContact O-CG2 3.3Å; L232-V236 WeakPolarHBondContact O-CG2 3.45Å; L232-V236 PolarHBondContact O-N 3.14Å; K233-V236 PolarHBondContact O-N 3.11Å; V236-R238 VanDerWaalsContact C-N 3.34Å; V236-R238 PolarHBondContact O-N 3.36Å; V236-K261 PolarHBondContact O-NZ 2.76Å; V236-A264 HydrophobicContact CG2-CB 3.91Å; V236-L265 HydrophobicContact CB-CD2 4.43Å; V236-L265 HydrophobicContact CG1-CD2 3.8Å; V236-L265 HydrophobicContact CG2-CD2 3.64Å; V236-L265 HydrophobicContact CG2-CG 4.05Å; V236-L268 HydrophobicContact CG2-CD1 4.2Å; V236-V303 HydrophobicContact CB-CG1 3.91Å; V236-V303 HydrophobicContact CG1-CG1 3.65Å; V236-L304 HydrophobicContact CG1-CD2 4.15Å; V236-V307 HydrophobicContact CG1-CG2 3.94Å |
| 237 | D | 91.8 | Very high | 88.5 | Confident | 67 Ų | 67 | 51.5 Ų | 51.5 | 36% | 0.358 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -74.2 | -21.5 | 179.8 | -166.7 | 47.1 | 0 | 0 | 0 | 113.8 | K233 T234 D239 V303 K306 | K233-D237 WeakPolarHBondContact O-CB 3.48Å; K233-D237 PolarHBondContact O-N 3.32Å; T234-D237 PolarHBondContact O-N 3.49Å; D237-D239 PolarHBondContact O-N 2.9Å; D237-V303 HydrophobicContact CB-CG1 3.8Å; D237-K306 WeakPolarHBondContact OD1-CD 3.37Å; D237-K306 WeakPolarHBondContact OD1-CE 3.49Å; D237-K306 IonicContact OD1-NZ 3.16Å; D237-K306 PolarHBondContact OD1-NZ 3.39Å; D237-K306 IonicContact OD2-NZ 3.39Å |
| 238 | R | 90.6 | Very high | 88.1 | Confident | 31 Ų | 31 | 53.8 Ų | 53.8 | 12% | 0.117 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -63 | 128.6 | -178.2 | -177 | 176 | 69.7 | -175.6 | 2.5 | 111.8 | T234 V236 W257 K261 | T234-R238 WeakPolarHBondContact O-CB 3.39Å; T234-R238 PolarHBondContact O-N 3.06Å; V236-R238 VanDerWaalsContact C-N 3.34Å; V236-R238 PolarHBondContact O-N 3.36Å; R238-W257 HydrophobicContact CG-CZ3 4.36Å; R238-W257 VanDerWaalsContact CZ-CZ3 3.47Å; R238-K261 WeakPolarHBondContact O-CE 3.32Å; R238-K261 PolarHBondContact O-NZ 3.49Å |
| 239 | D | 85.8 | Confident | 87.4 | Confident | 106 Ų | 106 | 58 Ų | 58 | 57% | 0.567 | 30% | 0.298 | S | S | * | . | P | Polyproline II helix | trans | -66.8 | 148.2 | 175.6 | -63.5 | -42.8 | 0 | 0 | 0 | 112.1 | D237 | D237-D239 PolarHBondContact O-N 2.9Š|
| 240 | V | 86.4 | Confident | 86.8 | Confident | 27 Ų | 27 | 64.4 Ų | 64.4 | 16% | 0.164 | 33% | 0.333 | C | S | . | . | P | Polyproline II helix | trans | -86.9 | 135.9 | 175.8 | -176.3 | 0 | 0 | 0 | 0 | 108.8 | T244 W257 W258 K261 | V240-T244 HydrophobicContact CG1-CG2 3.79Å; V240-T244 VanDerWaalsContact CG1-OG1 3.31Å; V240-T244 WeakPolarHBondContact CG1-OG1 3.33Å; V240-W257 HydrophobicContact CG1-CB 3.9Å; V240-W257 HydrophobicContact CG1-CG 4.26Å; V240-W258 HydrophobicContact CB-CZ2 4.31Å; V240-W258 HydrophobicContact CG1-CZ2 4.42Å; V240-W258 HydrophobicContact CG2-CD2 4.45Å; V240-W258 HydrophobicContact CG2-CH2 3.97Å; V240-W258 HydrophobicContact CG2-CZ2 3.85Å; V240-W258 HydrophobicContact CG2-CZ3 4.35Å; V240-K261 HydrophobicContact CG2-CD 4.26Å |
| 241 | P | 85.9 | Confident | 86.4 | Confident | 30 Ų | 30 | 65.6 Ų | 65.6 | 20% | 0.195 | 34% | 0.338 | C | S | . | . | P | Polyproline II helix | trans | -58.2 | 139.9 | -178.3 | -23.4 | 32.4 | 0 | 0 | 0 | 112.8 | E243 T244 W257 | P241-E243 WeakPolarHBondContact CB-OE2 3.41Å; P241-E243 PolarHBondContact O-N 2.74Å; P241-E243 VanDerWaalsContact O-N 3.11Å; P241-T244 PolarHBondContact O-N 3.28Å; P241-T244 VanDerWaalsContact O-N 3.11Å; P241-T244 PolarHBondContact O-OG1 3.22Å; P241-W257 VanDerWaalsContact CD-CD2 3.48Å; P241-W257 HydrophobicContact CG-CD2 4Å; P241-W257 HydrophobicContact CG-CE3 4.32Å; P241-W257 HydrophobicContact CG-CH2 3.82Å; P241-W257 HydrophobicContact CG-CZ2 3.44Å; P241-W257 VanDerWaalsContact CG-CZ2 3.44Å; P241-W257 HydrophobicContact CG-CZ3 4.22Å |
| 242 | P | 80.5 | Confident | 86 | Confident | 97 Ų | 97 | 66.8 Ų | 66.8 | 63% | 0.63 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -63.6 | -19.8 | -176.2 | 26.8 | -35.3 | 0 | 0 | 0 | 113.6 | T244 M245 | P242-T244 PolarHBondContact O-N 3.17Å; P242-M245 WeakPolarHBondContact O-CB 3.42Å; P242-M245 PolarHBondContact O-N 3.1Å |
| 243 | E | 79.1 | Confident | 85.5 | Confident | 116 Ų | 116 | 68.6 Ų | 68.6 | 54% | 0.542 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -62.5 | -26.7 | 175.9 | -59.9 | 79 | -172.3 | 0 | 0 | 112.3 | P241 M245 Q246 | P241-E243 WeakPolarHBondContact CB-OE2 3.41Å; P241-E243 PolarHBondContact O-N 2.74Å; P241-E243 VanDerWaalsContact O-N 3.11Å; E243-M245 PolarHBondContact O-N 3.36Å; E243-Q246 WeakPolarHBondContact O-CB 3.44Å; E243-Q246 PolarHBondContact O-N 3.22Å |
| 244 | T | 79.1 | Confident | 85.1 | Confident | 9 Ų | 9 | 72.5 Ų | 72.5 | 6% | 0.055 | 37% | 0.373 | C | S | . | . | G | 310 helix | trans | -67.9 | -20.8 | 178.1 | 65.8 | 0 | 0 | 0 | 0 | 112.9 | V240 P241 P242 Q246 I247 L255 | V240-T244 HydrophobicContact CG1-CG2 3.79Å; V240-T244 VanDerWaalsContact CG1-OG1 3.31Å; V240-T244 WeakPolarHBondContact CG1-OG1 3.33Å; P241-T244 PolarHBondContact O-N 3.28Å; P241-T244 VanDerWaalsContact O-N 3.11Å; P241-T244 PolarHBondContact O-OG1 3.22Å; P242-T244 PolarHBondContact O-N 3.17Å; T244-Q246 PolarHBondContact O-N 3.07Å; T244-I247 PolarHBondContact O-N 3.24Å; T244-L255 HydrophobicContact CG2-CD1 3.85Å |
| 245 | M | 77.4 | Confident | 84.9 | Confident | 82 Ų | 82 | 70.8 Ų | 70.8 | 40% | 0.404 | 36% | 0.362 | S | S | . | . | G | 310 helix | trans | -76.6 | -10 | 178.1 | -59 | -61.1 | -173.8 | 0 | 0 | 112.8 | P242 E243 I247 | P242-M245 WeakPolarHBondContact O-CB 3.42Å; P242-M245 PolarHBondContact O-N 3.1Å; E243-M245 PolarHBondContact O-N 3.36Å; M245-I247 VanDerWaalsContact C-N 3.3Å |
| 246 | Q | 80.9 | Confident | 84.6 | Confident | 170 Ų | 170 | 72.1 Ų | 72.1 | 79% | 0.794 | 37% | 0.37 | S | S | * | . | G | 310 helix | trans | -82.8 | -12 | 175.7 | -59 | 177.7 | 12.2 | 0 | 0 | 112.7 | E243 T244 | E243-Q246 WeakPolarHBondContact O-CB 3.44Å; E243-Q246 PolarHBondContact O-N 3.22Å; T244-Q246 PolarHBondContact O-N 3.07Å |
| 247 | I | 84.3 | Confident | 84.6 | Confident | 57 Ų | 57 | 72.2 Ų | 72.2 | 29% | 0.292 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -86 | 150.5 | 178.1 | -61.1 | 177.5 | 0 | 0 | 0 | 108.3 | T244 M245 E251 R252 L255 | T244-I247 PolarHBondContact O-N 3.24Å; M245-I247 VanDerWaalsContact C-N 3.3Å; I247-E251 HydrophobicContact CG2-CB 3.68Å; I247-R252 HydrophobicContact CB-CG 4.43Å; I247-R252 PolarHBondContact O-NE 3.44Å; I247-R252 PolarHBondContact O-NH2 3.4Å; I247-L255 HydrophobicContact CD1-CD1 3.96Å; I247-L255 HydrophobicContact CD1-CD2 3.48Å; I247-L255 VanDerWaalsContact CD1-CD2 3.48Å; I247-L255 HydrophobicContact CD1-CG 4.32Å |
| 248 | D | 83.2 | Confident | 84.6 | Confident | 104 Ų | 104 | 69.5 Ų | 69.5 | 56% | 0.556 | 36% | 0.355 | S | S | * | . | trans | -58.7 | 147 | 179.3 | -153.8 | -6.5 | 0 | 0 | 0 | 111.6 | D250 E251 R252 | D248-D250 PolarHBondContact O-N 3.48Å; D248-E251 PolarHBondContact O-N 2.82Å; D248-E251 VanDerWaalsContact O-N 3.12Å; D248-R252 WeakPolarHBondContact O-CG 3.24Å; D248-R252 PolarHBondContact O-N 3.06Å; D248-R252 VanDerWaalsContact O-N 3.1Å | ||
| 249 | E | 78.9 | Confident | 84.6 | Confident | 102 Ų | 102 | 70.3 Ų | 70.3 | 48% | 0.477 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -58.1 | -37.4 | -173.1 | -169.3 | 139.7 | 167.4 | 0 | 0 | 112.7 | R252 P253 Y316 | E249-R252 PolarHBondContact O-N 3.28Å; E249-R252 IonicContact OE2-CZ 2.64Å; E249-R252 IonicContact OE2-NH1 3.69Å; E249-R252 PolarHBondContact OE2-NH1 2.99Å; E249-P253 WeakPolarHBondContact O-CD 3.38Å; E249-Y316 HydrophobicContact CG-CD2 4.3Å; E249-Y316 HydrophobicContact CG-CE2 3.72Å; E249-Y316 PolarHBondContact O-OH 3.08Å |
| 250 | D | 79.8 | Confident | 85 | Confident | 136 Ų | 136 | 65.2 Ų | 65.2 | 73% | 0.727 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.6 | -28.4 | -179.1 | -56.7 | -28.8 | 0 | 0 | 0 | 112.8 | D248 P253 | D248-D250 PolarHBondContact O-N 3.48Å; D250-P253 WeakPolarHBondContact O-CD 3.37Å |
| 251 | E | 84.8 | Confident | 85.3 | Confident | 127 Ų | 127 | 64.2 Ų | 64.2 | 59% | 0.593 | 33% | 0.326 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.6 | -17.7 | 178.3 | -67.3 | -171.2 | 171.5 | 0 | 0 | 112.7 | I247 D248 P253 E254 | I247-E251 HydrophobicContact CG2-CB 3.68Å; D248-E251 PolarHBondContact O-N 2.82Å; D248-E251 VanDerWaalsContact O-N 3.12Å; E251-P253 VanDerWaalsContact C-CD 3.49Å; E251-E254 WeakPolarHBondContact O-CB 3.41Å; E251-E254 PolarHBondContact O-N 3.26Å; E251-E254 VanDerWaalsContact O-N 3.11Å |
| 252 | R | 86.3 | Confident | 85.7 | Confident | 35 Ų | 35 | 65.6 Ų | 65.6 | 13% | 0.132 | 33% | 0.329 | C | S | . | . | G | 310 helix | trans | -57.6 | -42.7 | -179.5 | -76.5 | 170.3 | -157.1 | 153.5 | 11.1 | 113.7 | I247 D248 E249 E254 L255 Y316 | I247-R252 HydrophobicContact CB-CG 4.43Å; I247-R252 PolarHBondContact O-NE 3.44Å; I247-R252 PolarHBondContact O-NH2 3.4Å; D248-R252 WeakPolarHBondContact O-CG 3.24Å; D248-R252 PolarHBondContact O-N 3.06Å; D248-R252 VanDerWaalsContact O-N 3.1Å; E249-R252 PolarHBondContact O-N 3.28Å; E249-R252 IonicContact OE2-CZ 2.64Å; E249-R252 IonicContact OE2-NH1 3.69Å; E249-R252 PolarHBondContact OE2-NH1 2.99Å; R252-E254 PolarHBondContact O-N 3.01Å; R252-E254 VanDerWaalsContact O-N 3.14Å; R252-L255 HydrophobicContact CB-CD1 4.38Å; R252-L255 HydrophobicContact CG-CD1 4.37Å; R252-L255 VanDerWaalsContact O-CB 3.3Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 VanDerWaalsContact O-CG 3.25Å; R252-L255 WeakPolarHBondContact O-CG 3.22Å; R252-L255 PolarHBondContact O-N 3.41Å; R252-L255 VanDerWaalsContact O-N 3.1Å; R252-Y316 HydrophobicContact CB-CE1 3.68Å; R252-Y316 WeakPolarHBondContact CB-OH 3.37Å; R252-Y316 HydrophobicContact CG-CE1 4.32Å |
| 253 | P | 86.1 | Confident | 86.3 | Confident | 42 Ų | 42 | 62.7 Ų | 62.7 | 27% | 0.273 | 31% | 0.305 | S | S | . | . | G | 310 helix | trans | -58.2 | -27.1 | 177.8 | -24.7 | 34.9 | 0 | 0 | 0 | 113.2 | E249 D250 E251 L255 Y316 | E249-P253 WeakPolarHBondContact O-CD 3.38Å; D250-P253 WeakPolarHBondContact O-CD 3.37Å; E251-P253 VanDerWaalsContact C-CD 3.49Å; P253-L255 VanDerWaalsContact C-N 3.26Å; P253-L255 PolarHBondContact O-N 3.46Å; P253-Y316 WeakPolarHBondContact CD-OH 3.41Å; P253-Y316 WeakPolarHBondContact CG-OH 3.34Å |
| 254 | E | 85.1 | Confident | 87.1 | Confident | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 28% | 0.279 | S | S | * | . | G | 310 helix | trans | -78.2 | -10.6 | -178 | -69.8 | -61.9 | 95.4 | 0 | 0 | 113.8 | E251 R252 K259 | E251-E254 WeakPolarHBondContact O-CB 3.41Å; E251-E254 PolarHBondContact O-N 3.26Å; E251-E254 VanDerWaalsContact O-N 3.11Å; R252-E254 PolarHBondContact O-N 3.01Å; R252-E254 VanDerWaalsContact O-N 3.14Å; E254-K259 VanDerWaalsContact CD-NZ 3.3Å; E254-K259 WeakPolarHBondContact O-CD 3.34Å; E254-K259 VanDerWaalsContact O-CE 3.29Å; E254-K259 WeakPolarHBondContact O-CE 3.34Å; E254-K259 PolarHBondContact O-NZ 3.17Å; E254-K259 VanDerWaalsContact OE1-CE 3.29Å; E254-K259 WeakPolarHBondContact OE1-CE 3.41Å; E254-K259 IonicContact OE1-NZ 2.65Å; E254-K259 VanDerWaalsContact OE2-CE 3.31Å; E254-K259 WeakPolarHBondContact OE2-CE 3.33Å; E254-K259 IonicContact OE2-NZ 3.7Å; E254-K259 PolarHBondContact OE2-NZ 3.49Å |
| 255 | L | 88.9 | Confident | 87.8 | Confident | 26 Ų | 26 | 56.9 Ų | 56.9 | 14% | 0.136 | 28% | 0.277 | C | S | . | . | S | Bend | trans | -65.7 | 144.8 | 179.9 | -61.4 | 173.3 | 0 | 0 | 0 | 112.2 | T244 I247 R252 P253 W257 W258 K259 | T244-L255 HydrophobicContact CG2-CD1 3.85Å; I247-L255 HydrophobicContact CD1-CD1 3.96Å; I247-L255 HydrophobicContact CD1-CD2 3.48Å; I247-L255 VanDerWaalsContact CD1-CD2 3.48Å; I247-L255 HydrophobicContact CD1-CG 4.32Å; R252-L255 HydrophobicContact CB-CD1 4.38Å; R252-L255 HydrophobicContact CG-CD1 4.37Å; R252-L255 VanDerWaalsContact O-CB 3.3Å; R252-L255 WeakPolarHBondContact O-CB 3.47Å; R252-L255 VanDerWaalsContact O-CG 3.25Å; R252-L255 WeakPolarHBondContact O-CG 3.22Å; R252-L255 PolarHBondContact O-N 3.41Å; R252-L255 VanDerWaalsContact O-N 3.1Å; P253-L255 VanDerWaalsContact C-N 3.26Å; P253-L255 PolarHBondContact O-N 3.46Å; L255-W257 PolarHBondContact O-N 3.04Å; L255-W257 VanDerWaalsContact O-N 3.1Å; L255-W258 PolarHBondContact O-N 3.21Å; L255-K259 PolarHBondContact O-N 3.4Å |
| 256 | P | 89.6 | Confident | 88.5 | Confident | 28 Ų | 28 | 54.9 Ų | 54.9 | 18% | 0.182 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -53.6 | -36.1 | -179.9 | -28.4 | 35.3 | 0 | 0 | 0 | 113.8 | V197 C260 | V197-P256 HydrophobicContact CB-CB 4.18Å; V197-P256 HydrophobicContact CG1-CB 3.87Å; V197-P256 WeakPolarHBondContact CG1-O 3.42Å; P256-C260 WeakPolarHBondContact O-CB 3.22Å; P256-C260 PolarHBondContact O-N 3.22Å |
| 257 | W | 91.3 | Very high | 89.1 | Confident | 4 Ų | 4 | 47 Ų | 47 | 2% | 0.015 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -63.1 | -50.6 | -179.2 | -66.9 | 90.2 | 0 | 0 | 0 | 113 | H192 N194 V197 R238 V240 P241 L255 C260 K261 | H192-W257 HydrophobicContact CB-CH2 4.14Å; H192-W257 HydrophobicContact CB-CZ2 4.42Å; H192-W257 AromaticContact ND1-CH2 3.95Å; H192-W257 WeakPolarHBondContact O-CZ2 2.99Å; N194-W257 PolarHBondContact OD1-NE1 3.02Å; V197-W257 HydrophobicContact CG1-CD2 4.24Å; V197-W257 HydrophobicContact CG1-CG 4.32Å; V197-W257 HydrophobicContact CG2-CD2 4.02Å; V197-W257 HydrophobicContact CG2-CE3 4.21Å; V197-W257 HydrophobicContact CG2-CH2 3.85Å; V197-W257 HydrophobicContact CG2-CZ2 3.63Å; V197-W257 HydrophobicContact CG2-CZ3 4.16Å; R238-W257 HydrophobicContact CG-CZ3 4.36Å; R238-W257 VanDerWaalsContact CZ-CZ3 3.47Å; V240-W257 HydrophobicContact CG1-CB 3.9Å; V240-W257 HydrophobicContact CG1-CG 4.26Å; P241-W257 VanDerWaalsContact CD-CD2 3.48Å; P241-W257 HydrophobicContact CG-CD2 4Å; P241-W257 HydrophobicContact CG-CE3 4.32Å; P241-W257 HydrophobicContact CG-CH2 3.82Å; P241-W257 HydrophobicContact CG-CZ2 3.44Å; P241-W257 VanDerWaalsContact CG-CZ2 3.44Å; P241-W257 HydrophobicContact CG-CZ3 4.22Å; L255-W257 PolarHBondContact O-N 3.04Å; L255-W257 VanDerWaalsContact O-N 3.1Å; W257-C260 PolarHBondContact O-N 3.2Å; W257-K261 PolarHBondContact O-N 2.65Å |
| 258 | W | 92.1 | Very high | 89.5 | Confident | 11 Ų | 11 | 44.3 Ų | 44.3 | 4% | 0.042 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -68.3 | -41.5 | 178.2 | -69.8 | 116.1 | 0 | 0 | 0 | 111.4 | V240 L255 C260 K261 K262 Y316 V317 A318 V321 | V240-W258 HydrophobicContact CB-CZ2 4.31Å; V240-W258 HydrophobicContact CG1-CZ2 4.42Å; V240-W258 HydrophobicContact CG2-CD2 4.45Å; V240-W258 HydrophobicContact CG2-CH2 3.97Å; V240-W258 HydrophobicContact CG2-CZ2 3.85Å; V240-W258 HydrophobicContact CG2-CZ3 4.35Å; L255-W258 PolarHBondContact O-N 3.21Å; W258-C260 VanDerWaalsContact C-N 3.33Å; W258-C260 PolarHBondContact O-N 3.03Å; W258-K261 HydrophobicContact CE3-CD 4.38Å; W258-K261 HydrophobicContact CZ3-CD 4.3Å; W258-K261 PolarHBondContact O-N 2.89Å; W258-K262 WeakPolarHBondContact O-CB 3.41Å; W258-K262 PolarHBondContact O-N 2.92Å; W258-Y316 AromaticContact CE2-CD1 3.9Å; W258-Y316 AromaticContact CE2-CE1 3.81Å; W258-Y316 HydrophobicContact CH2-CD1 4.46Å; W258-Y316 WeakPolarHBondContact CH2-O 3.21Å; W258-Y316 AromaticContact CZ2-CD1 3.64Å; W258-Y316 HydrophobicContact CZ2-CD1 3.64Å; W258-Y316 HydrophobicContact CZ2-CE1 4.01Å; W258-Y316 WeakPolarHBondContact CZ2-O 3.46Å; W258-Y316 AromaticContact NE1-CD1 4Å; W258-Y316 AromaticContact NE1-CE1 3.7Å; W258-V317 HydrophobicContact CH2-CB 4.46Å; W258-V317 HydrophobicContact CZ3-CG1 4.17Å; W258-A318 HydrophobicContact CB-CB 3.92Å; W258-A318 HydrophobicContact CD2-CB 3.65Å; W258-A318 HydrophobicContact CE3-CB 3.56Å; W258-A318 HydrophobicContact CG-CB 3.82Å; W258-A318 HydrophobicContact CZ3-CB 4.33Å; W258-V321 HydrophobicContact CE3-CB 4.5Å; W258-V321 HydrophobicContact CE3-CG2 4.05Å; W258-V321 HydrophobicContact CZ3-CG1 4.4Å |
| 259 | K | 90.6 | Very high | 89.9 | Confident | 47 Ų | 47 | 39.8 Ų | 39.8 | 20% | 0.204 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59.6 | -41.4 | 172.8 | -74.6 | 177.8 | 170.5 | 152.4 | 0 | 112.4 | K201 E254 L255 K262 W263 | K201-K259 HydrophobicContact CG-CB 4.1Å; E254-K259 VanDerWaalsContact CD-NZ 3.3Å; E254-K259 WeakPolarHBondContact O-CD 3.34Å; E254-K259 VanDerWaalsContact O-CE 3.29Å; E254-K259 WeakPolarHBondContact O-CE 3.34Å; E254-K259 PolarHBondContact O-NZ 3.17Å; E254-K259 VanDerWaalsContact OE1-CE 3.29Å; E254-K259 WeakPolarHBondContact OE1-CE 3.41Å; E254-K259 IonicContact OE1-NZ 2.65Å; E254-K259 VanDerWaalsContact OE2-CE 3.31Å; E254-K259 WeakPolarHBondContact OE2-CE 3.33Å; E254-K259 IonicContact OE2-NZ 3.7Å; E254-K259 PolarHBondContact OE2-NZ 3.49Å; L255-K259 PolarHBondContact O-N 3.4Å; K259-K262 WeakPolarHBondContact O-CB 3.24Å; K259-K262 PolarHBondContact O-N 2.87Å; K259-W263 PolarHBondContact O-N 3.32Å; K259-W263 VanDerWaalsContact O-N 3.11Å |
| 260 | C | 94.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 37.6 Ų | 37.6 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -64.3 | -47.9 | 178.7 | -169.7 | 0 | 0 | 0 | 0 | 111.3 | V197 K201 P256 W257 W258 K262 W263 A264 | V197-C260 HydrophobicContact CG1-CB 3.77Å; K201-C260 HydrophobicContact CB-CB 3.98Å; P256-C260 WeakPolarHBondContact O-CB 3.22Å; P256-C260 PolarHBondContact O-N 3.22Å; W257-C260 PolarHBondContact O-N 3.2Å; W258-C260 VanDerWaalsContact C-N 3.33Å; W258-C260 PolarHBondContact O-N 3.03Å; C260-K262 PolarHBondContact O-N 2.91Å; C260-W263 PolarHBondContact O-N 2.71Å; C260-A264 PolarHBondContact O-N 3.26Å; C260-A264 VanDerWaalsContact O-N 3.1Å |
| 261 | K | 94.2 | Very high | 91 | Very high | 6 Ų | 6 | 31.4 Ų | 31.4 | 3% | 0.026 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -59.5 | -44.1 | 174 | -76.5 | -173.7 | 173.1 | -128.9 | 0 | 112.3 | V235 V236 R238 V240 W257 W258 W263 A264 L265 V321 | V235-K261 HydrophobicContact CG1-CG 4.44Å; V236-K261 PolarHBondContact O-NZ 2.76Å; R238-K261 WeakPolarHBondContact O-CE 3.32Å; R238-K261 PolarHBondContact O-NZ 3.49Å; V240-K261 HydrophobicContact CG2-CD 4.26Å; W257-K261 PolarHBondContact O-N 2.65Å; W258-K261 HydrophobicContact CE3-CD 4.38Å; W258-K261 HydrophobicContact CZ3-CD 4.3Å; W258-K261 PolarHBondContact O-N 2.89Å; K261-W263 PolarHBondContact O-N 3.37Å; K261-A264 WeakPolarHBondContact O-CB 3.44Å; K261-A264 PolarHBondContact O-N 3.18Å; K261-L265 WeakPolarHBondContact O-CG 3.39Å; K261-L265 PolarHBondContact O-N 3.01Å; K261-V321 HydrophobicContact CB-CG2 4.09Å |
| 262 | K | 93 | Very high | 91.3 | Very high | 59 Ų | 59 | 25.4 Ų | 25.4 | 26% | 0.257 | 12% | 0.119 | S | C | . | . | H | α-helix | trans | -53.2 | -52.2 | 176.3 | -178.3 | -172.3 | 75.9 | 172 | 0 | 111.3 | W258 K259 C260 A264 L265 H266 R320 V321 | W258-K262 WeakPolarHBondContact O-CB 3.41Å; W258-K262 PolarHBondContact O-N 2.92Å; K259-K262 WeakPolarHBondContact O-CB 3.24Å; K259-K262 PolarHBondContact O-N 2.87Å; C260-K262 PolarHBondContact O-N 2.91Å; K262-A264 VanDerWaalsContact C-N 3.34Å; K262-A264 PolarHBondContact O-N 3.47Å; K262-L265 PolarHBondContact O-N 3.06Å; K262-H266 WeakPolarHBondContact O-CB 3.49Å; K262-H266 PolarHBondContact O-N 3.16Å; K262-R320 HydrophobicContact CD-CB 3.82Å; K262-R320 HydrophobicContact CD-CG 4.2Å; K262-R320 HydrophobicContact CG-CB 4.12Å; K262-V321 HydrophobicContact CB-CG2 4.15Å |
| 263 | W | 94.4 | Very high | 91.4 | Very high | 36 Ų | 36 | 28.4 Ų | 28.4 | 14% | 0.136 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -66.9 | -34.3 | -178.9 | -75.8 | 108.8 | 0 | 0 | 0 | 112.9 | F204 K205 Y208 K259 C260 K261 H266 I267 | F204-W263 HydrophobicContact CB-CB 3.7Å; F204-W263 HydrophobicContact CD2-CB 4.47Å; K205-W263 HydrophobicContact CD-CZ2 3.81Å; K205-W263 HydrophobicContact CG-CD2 3.71Å; K205-W263 HydrophobicContact CG-CE3 4.3Å; K205-W263 HydrophobicContact CG-CG 4.08Å; K205-W263 HydrophobicContact CG-CH2 4.3Å; K205-W263 HydrophobicContact CG-CZ2 3.71Å; Y208-W263 HydrophobicContact CD1-CE3 4.2Å; Y208-W263 HydrophobicContact CD1-CH2 4.3Å; Y208-W263 AromaticContact CD1-CZ3 3.41Å; Y208-W263 HydrophobicContact CD1-CZ3 3.41Å; Y208-W263 VanDerWaalsContact CD1-CZ3 3.41Å; Y208-W263 HydrophobicContact CD2-CE3 4.37Å; Y208-W263 HydrophobicContact CD2-CZ3 4.25Å; Y208-W263 AromaticContact CE1-CZ3 3.9Å; Y208-W263 HydrophobicContact CE1-CZ3 3.9Å; Y208-W263 AromaticContact CG-CE3 3.88Å; Y208-W263 HydrophobicContact CG-CE3 3.88Å; Y208-W263 AromaticContact CG-CZ3 3.57Å; Y208-W263 HydrophobicContact CG-CZ3 3.57Å; K259-W263 PolarHBondContact O-N 3.32Å; K259-W263 VanDerWaalsContact O-N 3.11Å; C260-W263 PolarHBondContact O-N 2.71Å; K261-W263 PolarHBondContact O-N 3.37Å; W263-H266 AromaticContact CZ3-ND1 3.74Å; W263-H266 PolarHBondContact O-N 3.01Å; W263-I267 VanDerWaalsContact O-CG1 3.32Å; W263-I267 WeakPolarHBondContact O-CG1 3.5Å; W263-I267 PolarHBondContact O-N 2.93Å; W263-I267 VanDerWaalsContact O-N 3.11Å |
| 264 | A | 95.7 | Very high | 91.4 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.2 | -47.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | F204 L232 V235 V236 C260 K261 K262 I267 L268 | F204-A264 HydrophobicContact CD2-CB 4.06Å; F204-A264 HydrophobicContact CE2-CB 3.63Å; F204-A264 HydrophobicContact CZ-CB 4.14Å; L232-A264 HydrophobicContact CD2-CB 3.92Å; V235-A264 HydrophobicContact CG1-CB 4.39Å; V236-A264 HydrophobicContact CG2-CB 3.91Å; C260-A264 PolarHBondContact O-N 3.26Å; C260-A264 VanDerWaalsContact O-N 3.1Å; K261-A264 WeakPolarHBondContact O-CB 3.44Å; K261-A264 PolarHBondContact O-N 3.18Å; K262-A264 VanDerWaalsContact C-N 3.34Å; K262-A264 PolarHBondContact O-N 3.47Å; A264-I267 PolarHBondContact O-N 3.22Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 3.31Å; A264-L268 VanDerWaalsContact O-N 3.1Å |
| 265 | L | 93.6 | Very high | 91.7 | Very high | 3 Ų | 3 | 25.5 Ų | 25.5 | 2% | 0.016 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -64.4 | -39.8 | 176.7 | -69.6 | -178.5 | 0 | 0 | 0 | 112.7 | V236 K261 K262 I267 L268 A269 L304 V321 Q324 T325 | V236-L265 HydrophobicContact CB-CD2 4.43Å; V236-L265 HydrophobicContact CG1-CD2 3.8Å; V236-L265 HydrophobicContact CG2-CD2 3.64Å; V236-L265 HydrophobicContact CG2-CG 4.05Å; K261-L265 WeakPolarHBondContact O-CG 3.39Å; K261-L265 PolarHBondContact O-N 3.01Å; K262-L265 PolarHBondContact O-N 3.06Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 2.94Å; L265-L268 HydrophobicContact CD2-CD1 4.35Å; L265-L268 PolarHBondContact O-N 2.98Å; L265-L268 VanDerWaalsContact O-N 3.12Å; L265-A269 WeakPolarHBondContact O-CB 3.27Å; L265-A269 PolarHBondContact O-N 3.43Å; L265-L304 HydrophobicContact CD2-CD2 3.13Å; L265-V321 HydrophobicContact CD1-CB 4.06Å; L265-V321 HydrophobicContact CD1-CG1 3.46Å; L265-V321 VanDerWaalsContact CD1-CG1 3.46Å; L265-V321 HydrophobicContact CD1-CG2 4.42Å; L265-V321 VanDerWaalsContact CD1-O 3.28Å; L265-V321 WeakPolarHBondContact CD1-O 3.42Å; L265-Q324 HydrophobicContact CB-CB 3.84Å; L265-Q324 HydrophobicContact CD1-CB 4.32Å; L265-T325 WeakPolarHBondContact CD1-OG1 3.43Å |
| 266 | H | 91.6 | Very high | 91.6 | Very high | 39 Ų | 39 | 24.3 Ų | 24.3 | 18% | 0.181 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -63.7 | -37.4 | -179.6 | -156 | -169.7 | 0 | 0 | 0 | 111.6 | Y208 K262 W263 R270 Q324 | Y208-H266 HydrophobicContact CD2-CB 4.22Å; Y208-H266 AromaticContact CD2-CG 3.99Å; Y208-H266 AromaticContact CD2-ND1 3.97Å; Y208-H266 AromaticContact CE1-CE1 3.92Å; Y208-H266 AromaticContact CE1-ND1 3.99Å; Y208-H266 HydrophobicContact CE2-CB 4.06Å; Y208-H266 AromaticContact CE2-CD2 3.64Å; Y208-H266 AromaticContact CE2-CE1 3.65Å; Y208-H266 AromaticContact CE2-CG 3.39Å; Y208-H266 AromaticContact CE2-ND1 3.39Å; Y208-H266 WeakPolarHBondContact CE2-ND1 3.36Å; Y208-H266 AromaticContact CE2-NE2 3.77Å; Y208-H266 AromaticContact CZ-CD2 3.96Å; Y208-H266 AromaticContact CZ-CE1 3.24Å; Y208-H266 AromaticContact CZ-CG 3.86Å; Y208-H266 AromaticContact CZ-ND1 3.4Å; Y208-H266 AromaticContact CZ-NE2 3.57Å; Y208-H266 PolarHBondContact OH-CE1 3.44Å; Y208-H266 PolarHBondContact OH-NE2 3.08Å; K262-H266 WeakPolarHBondContact O-CB 3.49Å; K262-H266 PolarHBondContact O-N 3.16Å; W263-H266 AromaticContact CZ3-ND1 3.74Å; W263-H266 PolarHBondContact O-N 3.01Å; H266-R270 WeakPolarHBondContact O-CB 3.43Å; H266-R270 PolarHBondContact O-N 2.92Å; H266-Q324 PolarHBondContact CD2-OE1 2.94Å |
| 267 | I | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 23 Ų | 23 | 2% | 0.021 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -65.6 | -46.9 | 171.7 | -65.4 | 163.8 | 0 | 0 | 0 | 110.4 | F204 L207 Y208 F211 L232 W263 A264 L265 A269 R270 L271 | F204-I267 HydrophobicContact CB-CD1 3.97Å; F204-I267 HydrophobicContact CD1-CD1 4.05Å; F204-I267 HydrophobicContact CG-CD1 4.23Å; L207-I267 HydrophobicContact CB-CD1 4Å; Y208-I267 HydrophobicContact CD2-CG1 3.99Å; Y208-I267 HydrophobicContact CG-CG1 4.47Å; F211-I267 HydrophobicContact CD2-CG2 4.37Å; L232-I267 HydrophobicContact CD1-CB 4.49Å; L232-I267 HydrophobicContact CD1-CG2 3.84Å; L232-I267 HydrophobicContact CD2-CB 4.21Å; L232-I267 HydrophobicContact CD2-CD1 4.08Å; L232-I267 HydrophobicContact CD2-CG2 4.31Å; W263-I267 VanDerWaalsContact O-CG1 3.32Å; W263-I267 WeakPolarHBondContact O-CG1 3.5Å; W263-I267 PolarHBondContact O-N 2.93Å; W263-I267 VanDerWaalsContact O-N 3.11Å; A264-I267 PolarHBondContact O-N 3.22Å; L265-I267 VanDerWaalsContact C-N 3.28Å; L265-I267 PolarHBondContact O-N 2.94Å; I267-A269 PolarHBondContact O-N 3.08Å; I267-R270 PolarHBondContact O-N 3.48Å; I267-L271 HydrophobicContact CG2-CD1 3.79Å; I267-L271 HydrophobicContact CG2-CG 4.16Å; I267-L271 WeakPolarHBondContact O-CB 3.49Å; I267-L271 VanDerWaalsContact O-CG 3.24Å; I267-L271 WeakPolarHBondContact O-CG 3.5Å; I267-L271 PolarHBondContact O-N 2.77Å |
| 268 | L | 94.1 | Very high | 91 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.01 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -60 | -47.4 | 179.4 | -70.8 | 172.2 | 0 | 0 | 0 | 112.2 | M229 L232 V236 A264 L265 F272 A300 Y328 | M229-L268 HydrophobicContact CE-CD2 3.17Å; M229-L268 HydrophobicContact SD-CD2 3.88Å; L232-L268 HydrophobicContact CB-CD1 4.28Å; L232-L268 HydrophobicContact CB-CD2 4.02Å; L232-L268 HydrophobicContact CB-CG 4.16Å; L232-L268 HydrophobicContact CD1-CD2 3.81Å; L232-L268 HydrophobicContact CD1-CG 4.19Å; V236-L268 HydrophobicContact CG2-CD1 4.2Å; A264-L268 WeakPolarHBondContact O-CG 3.4Å; A264-L268 PolarHBondContact O-N 3.31Å; A264-L268 VanDerWaalsContact O-N 3.1Å; L265-L268 HydrophobicContact CD2-CD1 4.35Å; L265-L268 PolarHBondContact O-N 2.98Å; L265-L268 VanDerWaalsContact O-N 3.12Å; L268-F272 PolarHBondContact O-N 2.99Å; L268-F272 VanDerWaalsContact O-N 3.1Å; L268-A300 HydrophobicContact CD2-CB 4.4Å; L268-Y328 HydrophobicContact CB-CD2 4.14Å; L268-Y328 HydrophobicContact CB-CE2 4.08Å; L268-Y328 WeakPolarHBondContact O-CE2 3.44Å |
| 269 | A | 90.8 | Very high | 90.1 | Very high | 9 Ų | 9 | 24.6 Ų | 24.6 | 7% | 0.074 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -61.7 | -49.7 | 177.3 | 0 | 0 | 0 | 0 | 0 | 111 | L265 I267 L271 F272 E273 | L265-A269 WeakPolarHBondContact O-CB 3.27Å; L265-A269 PolarHBondContact O-N 3.43Å; I267-A269 PolarHBondContact O-N 3.08Å; A269-L271 PolarHBondContact O-N 3.34Å; A269-F272 PolarHBondContact O-N 3.09Å; A269-F272 VanDerWaalsContact O-N 3.14Å; A269-E273 VanDerWaalsContact O-CB 3.26Å; A269-E273 WeakPolarHBondContact O-CB 3.49Å; A269-E273 PolarHBondContact O-N 3.02Å |
| 270 | R | 90.6 | Very high | 89.3 | Confident | 55 Ų | 55 | 24.6 Ų | 24.6 | 21% | 0.208 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -61.9 | -41.1 | 179.1 | -175.5 | 61 | 65.1 | -171.7 | 3.1 | 112.7 | Y208 H266 I267 F272 E273 R274 | Y208-R270 HydrophobicContact CE2-CB 4.09Å; Y208-R270 HydrophobicContact CE2-CG 4.36Å; H266-R270 WeakPolarHBondContact O-CB 3.43Å; H266-R270 PolarHBondContact O-N 2.92Å; I267-R270 PolarHBondContact O-N 3.48Å; R270-F272 VanDerWaalsContact C-N 3.31Å; R270-F272 PolarHBondContact O-N 3.02Å; R270-E273 IonicContact CZ-OE2 3.57Å; R270-E273 IonicContact NE-OE2 2.95Å; R270-E273 IonicContact NH1-OE1 3.61Å; R270-E273 IonicContact NH1-OE2 2.66Å; R270-E273 PolarHBondContact NH1-OE2 3.24Å; R270-E273 VanDerWaalsContact NH1-OE2 3.08Å; R270-R274 WeakPolarHBondContact O-CB 3.49Å; R270-R274 PolarHBondContact O-N 3.42Å |
| 271 | L | 91.6 | Very high | 88.6 | Confident | 6 Ų | 6 | 25.1 Ų | 25.1 | 3% | 0.031 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -61 | -41.3 | 175.7 | -75.9 | 175.9 | 0 | 0 | 0 | 111.2 | F211 L215 M229 I267 A269 Y275 G276 F288 F292 | F211-L271 HydrophobicContact CD2-CD2 4.49Å; L215-L271 HydrophobicContact CD1-CD2 3.79Å; M229-L271 HydrophobicContact SD-CD1 4.21Å; I267-L271 HydrophobicContact CG2-CD1 3.79Å; I267-L271 HydrophobicContact CG2-CG 4.16Å; I267-L271 WeakPolarHBondContact O-CB 3.49Å; I267-L271 VanDerWaalsContact O-CG 3.24Å; I267-L271 WeakPolarHBondContact O-CG 3.5Å; I267-L271 PolarHBondContact O-N 2.77Å; A269-L271 PolarHBondContact O-N 3.34Å; L271-Y275 HydrophobicContact CD2-CD2 4.27Å; L271-Y275 CarbonylContact O-C 3.58Å; L271-Y275 PolarHBondContact O-N 2.93Å; L271-G276 WeakPolarHBondContact O-CA 3.36Å; L271-G276 PolarHBondContact O-N 3.45Å; L271-F288 HydrophobicContact CD2-CZ 4.34Å; L271-F292 HydrophobicContact CB-CE2 3.98Å; L271-F292 HydrophobicContact CB-CZ 4.16Å; L271-F292 HydrophobicContact CD1-CE2 4.43Å |
| 272 | F | 91.6 | Very high | 87.9 | Confident | 1 Ų | 1 | 27 Ų | 27 | 0% | 0.004 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -75 | -46.9 | -179.2 | -167.8 | -167.8 | 0 | 0 | 0 | 112.7 | L268 A269 R270 G276 S277 F292 L293 Y328 Q331 H335 T338 | L268-F272 PolarHBondContact O-N 2.99Å; L268-F272 VanDerWaalsContact O-N 3.1Å; A269-F272 PolarHBondContact O-N 3.09Å; A269-F272 VanDerWaalsContact O-N 3.14Å; R270-F272 VanDerWaalsContact C-N 3.31Å; R270-F272 PolarHBondContact O-N 3.02Å; F272-G276 CarbonylContact O-C 3.45Å; F272-G276 PolarHBondContact O-N 2.89Å; F272-S277 PolarHBondContact O-N 3.49Å; F272-S277 PolarHBondContact O-OG 2.91Å; F272-F292 HydrophobicContact CB-CE1 3.73Å; F272-F292 HydrophobicContact CB-CZ 4.14Å; F272-F292 HydrophobicContact CD2-CD1 4.24Å; F272-F292 AromaticContact CD2-CE1 3.82Å; F272-F292 HydrophobicContact CD2-CE1 3.82Å; F272-F292 AromaticContact CG-CE1 3.88Å; F272-F292 HydrophobicContact CG-CE1 3.88Å; F272-L293 HydrophobicContact CE2-CD1 4.02Å; F272-L293 HydrophobicContact CZ-CD1 4.2Å; F272-Y328 HydrophobicContact CB-CD2 4.27Å; F272-Y328 HydrophobicContact CB-CE2 3.82Å; F272-Y328 HydrophobicContact CD1-CD1 4.21Å; F272-Y328 HydrophobicContact CD1-CD2 4.06Å; F272-Y328 AromaticContact CD1-CE1 3.87Å; F272-Y328 HydrophobicContact CD1-CE1 3.87Å; F272-Y328 AromaticContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CG 4.29Å; F272-Y328 AromaticContact CD1-CZ 3.59Å; F272-Y328 HydrophobicContact CE1-CE1 4.13Å; F272-Y328 HydrophobicContact CG-CE2 4.17Å; F272-Q331 HydrophobicContact CD1-CB 3.82Å; F272-Q331 HydrophobicContact CD1-CG 3.77Å; F272-Q331 HydrophobicContact CD2-CG 4.02Å; F272-Q331 HydrophobicContact CE1-CB 3.88Å; F272-Q331 HydrophobicContact CE1-CG 3.89Å; F272-Q331 HydrophobicContact CE2-CG 4.11Å; F272-Q331 HydrophobicContact CG-CB 4.37Å; F272-Q331 HydrophobicContact CG-CG 3.85Å; F272-Q331 HydrophobicContact CZ-CB 4.47Å; F272-Q331 HydrophobicContact CZ-CG 4.06Å; F272-H335 AromaticContact CE2-CD2 3.66Å; F272-H335 AromaticContact CE2-NE2 3.88Å; F272-H335 AromaticContact CZ-CD2 3.61Å; F272-T338 HydrophobicContact CZ-CG2 4.36Å |
| 273 | E | 87.9 | Confident | 87.4 | Confident | 98 Ų | 98 | 31 Ų | 31 | 46% | 0.458 | 15% | 0.149 | S | C | . | . | H | α-helix | trans | -60.5 | -51.4 | -179.3 | -179.1 | -170.3 | -162.8 | 0 | 0 | 111.9 | A269 R270 | A269-E273 VanDerWaalsContact O-CB 3.26Å; A269-E273 WeakPolarHBondContact O-CB 3.49Å; A269-E273 PolarHBondContact O-N 3.02Å; R270-E273 IonicContact CZ-OE2 3.57Å; R270-E273 IonicContact NE-OE2 2.95Å; R270-E273 IonicContact NH1-OE1 3.61Å; R270-E273 IonicContact NH1-OE2 2.66Å; R270-E273 PolarHBondContact NH1-OE2 3.24Å; R270-E273 VanDerWaalsContact NH1-OE2 3.08Å |
| 274 | R | 86.3 | Confident | 86.8 | Confident | 100 Ų | 100 | 36.2 Ų | 36.2 | 38% | 0.377 | 18% | 0.175 | S | C | . | . | H | α-helix | trans | -97.2 | -26 | -168.5 | -170.6 | 171.7 | -178.2 | 152.1 | 10.6 | 115.1 | Q212 Y213 R270 T281 | Q212-R274 PolarHBondContact O-NH1 3.45Å; Y213-R274 PolarHBondContact O-NH2 2.93Å; R270-R274 WeakPolarHBondContact O-CB 3.49Å; R270-R274 PolarHBondContact O-N 3.42Å; R274-T281 WeakPolarHBondContact O-CG2 3.42Å |
| 275 | Y | 89.7 | Confident | 86.4 | Confident | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.008 | 18% | 0.178 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -129.4 | -20.4 | -171.9 | -51.5 | -68.7 | 0 | 0 | 0 | 113.5 | F211 Y213 N214 L215 L271 Y285 F288 A289 | F211-Y275 WeakPolarHBondContact O-CE2 3.43Å; F211-Y275 PolarHBondContact O-OH 3.07Å; Y213-Y275 VanDerWaalsContact C-OH 3.23Å; Y213-Y275 PolarHBondContact O-OH 3.13Å; N214-Y275 WeakPolarHBondContact CA-OH 3.38Å; N214-Y275 PolarHBondContact N-OH 3.39Å; N214-Y275 VanDerWaalsContact N-OH 3.15Å; L215-Y275 HydrophobicContact CB-CD1 3.73Å; L215-Y275 HydrophobicContact CB-CD2 4.08Å; L215-Y275 HydrophobicContact CB-CE1 3.61Å; L215-Y275 HydrophobicContact CB-CE2 3.97Å; L215-Y275 HydrophobicContact CB-CG 3.97Å; L215-Y275 HydrophobicContact CD1-CD2 4.39Å; L215-Y275 HydrophobicContact CD2-CD1 4.25Å; L215-Y275 HydrophobicContact CD2-CD2 4.23Å; L215-Y275 HydrophobicContact CD2-CG 3.88Å; L215-Y275 HydrophobicContact CG-CD2 4.48Å; L215-Y275 HydrophobicContact CG-CG 4.43Å; L271-Y275 HydrophobicContact CD2-CD2 4.27Å; L271-Y275 CarbonylContact O-C 3.58Å; L271-Y275 PolarHBondContact O-N 2.93Å; Y275-Y285 HydrophobicContact CD1-CD1 4.11Å; Y275-Y285 AromaticContact CD1-CD2 3.69Å; Y275-Y285 HydrophobicContact CD1-CD2 3.69Å; Y275-Y285 HydrophobicContact CD1-CE1 4.15Å; Y275-Y285 AromaticContact CD1-CE2 3.72Å; Y275-Y285 HydrophobicContact CD1-CE2 3.72Å; Y275-Y285 AromaticContact CD1-CG 3.9Å; Y275-Y285 HydrophobicContact CD1-CG 3.9Å; Y275-Y285 AromaticContact CD1-CZ 3.95Å; Y275-Y285 HydrophobicContact CE1-CD2 4.08Å; Y275-Y285 HydrophobicContact CE1-CE1 4.39Å; Y275-Y285 AromaticContact CE1-CE2 3.63Å; Y275-Y285 HydrophobicContact CE1-CE2 3.63Å; Y275-Y285 AromaticContact CE1-CZ 3.81Å; Y275-F288 VanDerWaalsContact O-CD1 3.31Å; Y275-F288 WeakPolarHBondContact O-CD1 3.39Å; Y275-A289 VanDerWaalsContact O-CA 3.29Å; Y275-A289 WeakPolarHBondContact O-CA 3.46Å; Y275-A289 VanDerWaalsContact O-CB 3.24Å; Y275-A289 WeakPolarHBondContact O-CB 3.45Å |
| 276 | G | 87.5 | Confident | 86.1 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 20% | 0.195 | C | C | . | . | S | Bend | trans | -103.5 | 5.5 | -166.7 | 0 | 0 | 0 | 0 | 0 | 114.8 | L271 F272 P278 | L271-G276 WeakPolarHBondContact O-CA 3.36Å; L271-G276 PolarHBondContact O-N 3.45Å; F272-G276 CarbonylContact O-C 3.45Å; F272-G276 PolarHBondContact O-N 2.89Å; G276-P278 WeakPolarHBondContact O-CD 3.49Å |
| 277 | S | 85.9 | Confident | 85.8 | Confident | 0 Ų | 0 | 45.5 Ų | 45.5 | 0% | 0 | 23% | 0.225 | C | C | . | . | S | Bend | trans | -111.6 | 97.9 | -174.9 | -68 | 0 | 0 | 0 | 0 | 110.3 | F272 G279 N280 T281 Q331 H335 | F272-S277 PolarHBondContact O-N 3.49Å; F272-S277 PolarHBondContact O-OG 2.91Å; S277-G279 PolarHBondContact O-N 3.38Å; S277-N280 PolarHBondContact O-N 2.9Å; S277-T281 VanDerWaalsContact O-CG2 3.28Å; S277-T281 WeakPolarHBondContact O-CG2 3.42Å; S277-Q331 PolarHBondContact OG-NE2 3.03Å; S277-H335 WeakPolarHBondContact CB-NE2 3.29Å; S277-H335 PolarHBondContact OG-NE2 3.48Å |
| 278 | P | 81.8 | Confident | 85.7 | Confident | 32 Ų | 32 | 46 Ų | 46 | 21% | 0.208 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | 136.3 | 175.4 | -23.6 | 34 | 0 | 0 | 0 | 110.7 | G276 N280 A289 E290 L293 | G276-P278 WeakPolarHBondContact O-CD 3.49Å; P278-N280 VanDerWaalsContact C-N 3.32Å; P278-N280 PolarHBondContact O-N 3.23Å; P278-A289 HydrophobicContact CG-CB 4.09Å; P278-E290 HydrophobicContact CG-CG 4.46Å; P278-L293 HydrophobicContact CG-CB 4.33Å; P278-L293 HydrophobicContact CG-CD2 3.84Å |
| 279 | G | 73.3 | Confident | 85.4 | Confident | 18 Ų | 18 | 46 Ų | 46 | 19% | 0.186 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 91.4 | -30.1 | -175 | 0 | 0 | 0 | 0 | 0 | 114.5 | S277 Q914 | S277-G279 PolarHBondContact O-N 3.38Å; G279-Q914 PolarHBondContact O-OE1 3.03Å |
| 280 | N | 73.6 | Confident | 85.3 | Confident | 46 Ų | 46 | 50.2 Ų | 50.2 | 25% | 0.246 | 25% | 0.245 | C | C | . | . | S | Bend | trans | -112 | 27.2 | -175.6 | -59.5 | 2.1 | 0 | 0 | 0 | 112.1 | S277 P278 D910 | S277-N280 PolarHBondContact O-N 2.9Å; P278-N280 VanDerWaalsContact C-N 3.32Å; P278-N280 PolarHBondContact O-N 3.23Å; N280-D910 PolarHBondContact OD1-N 3.46Å |
| 281 | T | 80.3 | Confident | 85.2 | Confident | 11 Ų | 11 | 49.6 Ų | 49.6 | 7% | 0.067 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -135 | 149.9 | -177.6 | 61.1 | 0 | 0 | 0 | 0 | 110 | R274 S277 A289 | R274-T281 WeakPolarHBondContact O-CG2 3.42Å; S277-T281 VanDerWaalsContact O-CG2 3.28Å; S277-T281 WeakPolarHBondContact O-CG2 3.42Å; T281-A289 HydrophobicContact CG2-CB 4.32Å |
| 282 | T | 80.6 | Confident | 85.2 | Confident | 45 Ų | 45 | 49.3 Ų | 49.3 | 28% | 0.276 | 25% | 0.245 | S | C | . | . | trans | -58.9 | 154.7 | 174.4 | 61.9 | 0 | 0 | 0 | 0 | 111.9 | E284 Y285 | T282-E284 PolarHBondContact O-N 3.47Å; T282-Y285 PolarHBondContact O-N 3.27Å; T282-Y285 WeakPolarHBondContact OG1-CD2 3.4Å | ||
| 283 | K | 81.1 | Confident | 85.2 | Confident | 143 Ų | 143 | 49.9 Ų | 49.9 | 62% | 0.622 | 25% | 0.247 | S | C | * | . | G | 310 helix | trans | -51.5 | -33.1 | -177.4 | -71 | 179.7 | 177.1 | 150.5 | 0 | 113.6 | Y285 A286 E918 | K283-Y285 PolarHBondContact O-N 2.85Å; K283-A286 PolarHBondContact O-N 3.07Å; K283-E918 VanDerWaalsContact CE-CD 3.43Å; K283-E918 WeakPolarHBondContact CE-OE1 3.17Å; K283-E918 IonicContact NZ-OE1 2.65Å; K283-E918 PolarHBondContact NZ-OE1 3.25Å; K283-E918 VanDerWaalsContact NZ-OE1 3.07Å; K283-E918 IonicContact NZ-OE2 2.73Å; K283-E918 PolarHBondContact NZ-OE2 3.06Å |
| 284 | E | 83 | Confident | 85.3 | Confident | 146 Ų | 146 | 51.6 Ų | 51.6 | 68% | 0.682 | 25% | 0.253 | S | S | * | . | G | 310 helix | trans | -61.7 | -31.2 | 178.4 | -59.3 | -175.2 | 167.5 | 0 | 0 | 113.2 | L217 T282 | L217-E284 WeakPolarHBondContact CD1-O 3.37Å; T282-E284 PolarHBondContact O-N 3.47Å |
| 285 | Y | 86.9 | Confident | 85.4 | Confident | 18 Ų | 18 | 50.5 Ų | 50.5 | 7% | 0.071 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -99.7 | -2.6 | -175.9 | -63.2 | -56.9 | 0 | 0 | 0 | 114.2 | N214 L215 L217 Y275 T282 K283 E287 F288 A289 | N214-Y285 PolarHBondContact ND2-OH 2.95Å; L215-Y285 HydrophobicContact CB-CD1 4.42Å; L215-Y285 HydrophobicContact CB-CE1 3.66Å; L215-Y285 HydrophobicContact CD2-CD1 4.41Å; L215-Y285 HydrophobicContact CD2-CE1 4.37Å; L215-Y285 HydrophobicContact CG-CE1 4.45Å; L215-Y285 PolarHBondContact N-OH 2.94Å; L215-Y285 VanDerWaalsContact O-CE1 3.28Å; L215-Y285 WeakPolarHBondContact O-CE1 3.36Å; L215-Y285 PolarHBondContact O-OH 3.41Å; L217-Y285 HydrophobicContact CD1-CD1 4Å; L217-Y285 HydrophobicContact CD1-CE1 4.03Å; L217-Y285 HydrophobicContact CD2-CD1 3.91Å; L217-Y285 HydrophobicContact CD2-CE1 3.99Å; L217-Y285 HydrophobicContact CG-CD1 4.08Å; L217-Y285 HydrophobicContact CG-CE1 3.82Å; Y275-Y285 HydrophobicContact CD1-CD1 4.11Å; Y275-Y285 AromaticContact CD1-CD2 3.69Å; Y275-Y285 HydrophobicContact CD1-CD2 3.69Å; Y275-Y285 HydrophobicContact CD1-CE1 4.15Å; Y275-Y285 AromaticContact CD1-CE2 3.72Å; Y275-Y285 HydrophobicContact CD1-CE2 3.72Å; Y275-Y285 AromaticContact CD1-CG 3.9Å; Y275-Y285 HydrophobicContact CD1-CG 3.9Å; Y275-Y285 AromaticContact CD1-CZ 3.95Å; Y275-Y285 HydrophobicContact CE1-CD2 4.08Å; Y275-Y285 HydrophobicContact CE1-CE1 4.39Å; Y275-Y285 AromaticContact CE1-CE2 3.63Å; Y275-Y285 HydrophobicContact CE1-CE2 3.63Å; Y275-Y285 AromaticContact CE1-CZ 3.81Å; T282-Y285 PolarHBondContact O-N 3.27Å; T282-Y285 WeakPolarHBondContact OG1-CD2 3.4Å; K283-Y285 PolarHBondContact O-N 2.85Å; Y285-E287 PolarHBondContact O-N 2.96Å; Y285-F288 CarbonylContact O-C 3.59Å; Y285-F288 WeakPolarHBondContact O-CA 3.1Å; Y285-F288 WeakPolarHBondContact O-CB 3.45Å; Y285-F288 PolarHBondContact O-N 3.01Å; Y285-A289 PolarHBondContact O-N 3.15Å |
| 286 | A | 86.1 | Confident | 85.5 | Confident | 43 Ų | 43 | 51.1 Ų | 51.1 | 36% | 0.355 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -55.8 | -45 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | K283 F288 A289 E290 | K283-A286 PolarHBondContact O-N 3.07Å; A286-F288 VanDerWaalsContact C-N 3.33Å; A286-F288 PolarHBondContact O-N 2.95Å; A286-A289 PolarHBondContact O-N 3.43Å; A286-E290 PolarHBondContact O-N 3.03Å; A286-E290 VanDerWaalsContact O-N 3.09Å |
| 287 | E | 86.7 | Confident | 85.8 | Confident | 176 Ų | 176 | 51.1 Ų | 51.1 | 82% | 0.822 | 26% | 0.255 | S | S | * | . | H | α-helix | trans | -64.1 | -38.8 | 177 | -66.2 | -170.2 | 173.4 | 0 | 0 | 112.3 | Y285 L291 | Y285-E287 PolarHBondContact O-N 2.96Å; E287-L291 WeakPolarHBondContact O-CB 3.08Å; E287-L291 PolarHBondContact O-N 3.08Å |
| 288 | F | 89.8 | Confident | 86 | Confident | 16 Ų | 16 | 52.7 Ų | 52.7 | 7% | 0.07 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -67.1 | -42.3 | 176.1 | 173.9 | -85.9 | 0 | 0 | 0 | 111 | L215 L217 I220 L225 L271 Y275 Y285 A286 E290 L291 F292 | L215-F288 HydrophobicContact CD2-CD1 3.92Å; L215-F288 HydrophobicContact CD2-CD2 4.06Å; L215-F288 HydrophobicContact CD2-CE1 3.69Å; L215-F288 HydrophobicContact CD2-CE2 3.8Å; L215-F288 HydrophobicContact CD2-CG 4.12Å; L215-F288 HydrophobicContact CD2-CZ 3.63Å; L217-F288 HydrophobicContact CD2-CB 4.2Å; L217-F288 HydrophobicContact CD2-CD2 4.38Å; L217-F288 HydrophobicContact CD2-CG 4.45Å; I220-F288 HydrophobicContact CG2-CE2 4.04Å; L225-F288 HydrophobicContact CD1-CE2 4.09Å; L225-F288 HydrophobicContact CD1-CZ 4.29Å; L225-F288 HydrophobicContact CD2-CD2 4.23Å; L225-F288 HydrophobicContact CD2-CE2 3.51Å; L225-F288 HydrophobicContact CD2-CZ 4.17Å; L225-F288 HydrophobicContact CG-CE2 4.43Å; L271-F288 HydrophobicContact CD2-CZ 4.34Å; Y275-F288 VanDerWaalsContact O-CD1 3.31Å; Y275-F288 WeakPolarHBondContact O-CD1 3.39Å; Y285-F288 CarbonylContact O-C 3.59Å; Y285-F288 WeakPolarHBondContact O-CA 3.1Å; Y285-F288 WeakPolarHBondContact O-CB 3.45Å; Y285-F288 PolarHBondContact O-N 3.01Å; A286-F288 VanDerWaalsContact C-N 3.33Å; A286-F288 PolarHBondContact O-N 2.95Å; F288-E290 PolarHBondContact O-N 3.34Å; F288-L291 PolarHBondContact O-N 3.11Å; F288-F292 HydrophobicContact CD1-CB 4.46Å; F288-F292 HydrophobicContact CE1-CB 4.1Å; F288-F292 HydrophobicContact CE1-CD2 4.33Å; F288-F292 HydrophobicContact CE1-CG 4.39Å; F288-F292 HydrophobicContact CZ-CB 4.44Å; F288-F292 HydrophobicContact CZ-CD2 4.17Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.47Å; F288-F292 PolarHBondContact O-N 3.44Å |
| 289 | A | 89 | Confident | 86.5 | Confident | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | Y275 P278 T281 Y285 A286 L291 F292 L293 | Y275-A289 VanDerWaalsContact O-CA 3.29Å; Y275-A289 WeakPolarHBondContact O-CA 3.46Å; Y275-A289 VanDerWaalsContact O-CB 3.24Å; Y275-A289 WeakPolarHBondContact O-CB 3.45Å; P278-A289 HydrophobicContact CG-CB 4.09Å; T281-A289 HydrophobicContact CG2-CB 4.32Å; Y285-A289 PolarHBondContact O-N 3.15Å; A286-A289 PolarHBondContact O-N 3.43Å; A289-L291 PolarHBondContact O-N 3.13Å; A289-F292 PolarHBondContact O-N 2.9Å; A289-L293 WeakPolarHBondContact O-CB 3.19Å; A289-L293 PolarHBondContact O-N 3.46Å |
| 290 | E | 88.2 | Confident | 87.4 | Confident | 98 Ų | 98 | 51.8 Ų | 51.8 | 46% | 0.458 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -60.8 | -45.3 | 176.2 | -78.1 | -161.6 | -155.3 | 0 | 0 | 112.7 | P278 A286 F288 F292 K294 | P278-E290 HydrophobicContact CG-CG 4.46Å; A286-E290 PolarHBondContact O-N 3.03Å; A286-E290 VanDerWaalsContact O-N 3.09Å; F288-E290 PolarHBondContact O-N 3.34Å; E290-F292 VanDerWaalsContact C-N 3.33Å; E290-K294 VanDerWaalsContact O-CB 3.32Å; E290-K294 WeakPolarHBondContact O-CB 3.07Å; E290-K294 WeakPolarHBondContact O-CD 2.82Å; E290-K294 VanDerWaalsContact O-CG 3.23Å; E290-K294 WeakPolarHBondContact O-CG 3.39Å; E290-K294 PolarHBondContact O-N 3.41Å; E290-K294 VanDerWaalsContact O-N 3.12Å; E290-K294 IonicContact OE2-NZ 2.89Å; E290-K294 PolarHBondContact OE2-NZ 3.22Å |
| 291 | L | 89.3 | Confident | 88.3 | Confident | 43 Ų | 43 | 49.6 Ų | 49.6 | 23% | 0.225 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -62.1 | -44.7 | 177.8 | -179.9 | 70.9 | 0 | 0 | 0 | 110.6 | R222 L225 E287 F288 A289 K294 E295 Y296 | R222-L291 HydrophobicContact CB-CD2 4.27Å; R222-L291 HydrophobicContact CG-CD1 4.47Å; R222-L291 HydrophobicContact CG-CD2 4.17Å; L225-L291 HydrophobicContact CD2-CD2 4.44Å; E287-L291 WeakPolarHBondContact O-CB 3.08Å; E287-L291 PolarHBondContact O-N 3.08Å; F288-L291 PolarHBondContact O-N 3.11Å; A289-L291 PolarHBondContact O-N 3.13Å; L291-K294 PolarHBondContact O-N 3.31Å; L291-E295 VanDerWaalsContact CD1-CD 3.47Å; L291-E295 HydrophobicContact CD1-CG 4.09Å; L291-E295 WeakPolarHBondContact CD1-OE1 3.44Å; L291-E295 WeakPolarHBondContact O-CB 3.37Å; L291-E295 PolarHBondContact O-N 3.14Å; L291-Y296 HydrophobicContact CG-CE2 4.33Å |
| 292 | F | 91.8 | Very high | 88.8 | Confident | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.4 | -50.1 | -177.3 | -178.7 | -88.8 | 0 | 0 | 0 | 111.9 | M229 L271 F272 F288 A289 E290 K294 Y296 A297 | M229-F292 HydrophobicContact CE-CE2 4.06Å; M229-F292 HydrophobicContact CE-CZ 4.47Å; M229-F292 HydrophobicContact SD-CE2 4.01Å; L271-F292 HydrophobicContact CB-CE2 3.98Å; L271-F292 HydrophobicContact CB-CZ 4.16Å; L271-F292 HydrophobicContact CD1-CE2 4.43Å; F272-F292 HydrophobicContact CB-CE1 3.73Å; F272-F292 HydrophobicContact CB-CZ 4.14Å; F272-F292 HydrophobicContact CD2-CD1 4.24Å; F272-F292 AromaticContact CD2-CE1 3.82Å; F272-F292 HydrophobicContact CD2-CE1 3.82Å; F272-F292 AromaticContact CG-CE1 3.88Å; F272-F292 HydrophobicContact CG-CE1 3.88Å; F288-F292 HydrophobicContact CD1-CB 4.46Å; F288-F292 HydrophobicContact CE1-CB 4.1Å; F288-F292 HydrophobicContact CE1-CD2 4.33Å; F288-F292 HydrophobicContact CE1-CG 4.39Å; F288-F292 HydrophobicContact CZ-CB 4.44Å; F288-F292 HydrophobicContact CZ-CD2 4.17Å; F288-F292 VanDerWaalsContact O-CB 3.29Å; F288-F292 WeakPolarHBondContact O-CB 3.47Å; F288-F292 PolarHBondContact O-N 3.44Å; A289-F292 PolarHBondContact O-N 2.9Å; E290-F292 VanDerWaalsContact C-N 3.33Å; F292-K294 PolarHBondContact O-N 3.11Å; F292-Y296 HydrophobicContact CD2-CD2 4.25Å; F292-Y296 PolarHBondContact O-N 2.95Å; F292-A297 HydrophobicContact CD1-CB 4.39Å; F292-A297 HydrophobicContact CE1-CB 4.17Å; F292-A297 PolarHBondContact O-N 3.04Å |
| 293 | L | 90.4 | Very high | 89.4 | Confident | 12 Ų | 12 | 53.6 Ų | 53.6 | 6% | 0.063 | 26% | 0.262 | C | S | . | . | I | π-helix | trans | -60.3 | -47.4 | 179.1 | -174.7 | 65.4 | 0 | 0 | 0 | 111 | F272 P278 A289 A297 H335 L337 T338 | F272-L293 HydrophobicContact CE2-CD1 4.02Å; F272-L293 HydrophobicContact CZ-CD1 4.2Å; P278-L293 HydrophobicContact CG-CB 4.33Å; P278-L293 HydrophobicContact CG-CD2 3.84Å; A289-L293 WeakPolarHBondContact O-CB 3.19Å; A289-L293 PolarHBondContact O-N 3.46Å; L293-A297 HydrophobicContact CD1-CB 4.06Å; L293-H335 HydrophobicContact CD1-CB 3.85Å; L293-H335 HydrophobicContact CD2-CB 4.16Å; L293-L337 HydrophobicContact CG-CD2 4.25Å; L293-L337 VanDerWaalsContact O-CD2 3.24Å; L293-L337 WeakPolarHBondContact O-CD2 3.4Å; L293-T338 HydrophobicContact CD1-CG2 4Å |
| 294 | K | 89.6 | Confident | 90 | Very high | 134 Ų | 134 | 46.8 Ų | 46.8 | 58% | 0.583 | 23% | 0.233 | S | C | * | . | I | π-helix | trans | -68.6 | -41.9 | -175.8 | -72.4 | 169.2 | -175.5 | 162.7 | 0 | 113.5 | E290 L291 F292 | E290-K294 VanDerWaalsContact O-CB 3.32Å; E290-K294 WeakPolarHBondContact O-CB 3.07Å; E290-K294 WeakPolarHBondContact O-CD 2.82Å; E290-K294 VanDerWaalsContact O-CG 3.23Å; E290-K294 WeakPolarHBondContact O-CG 3.39Å; E290-K294 PolarHBondContact O-N 3.41Å; E290-K294 VanDerWaalsContact O-N 3.12Å; E290-K294 IonicContact OE2-NZ 2.89Å; E290-K294 PolarHBondContact OE2-NZ 3.22Å; L291-K294 PolarHBondContact O-N 3.31Å; F292-K294 PolarHBondContact O-N 3.11Å |
| 295 | E | 89.9 | Confident | 90.4 | Very high | 78 Ų | 78 | 40.3 Ų | 40.3 | 36% | 0.364 | 20% | 0.203 | S | C | . | . | I | π-helix | trans | -102.2 | -29.1 | -168.7 | -61.7 | -166.8 | -176.8 | 0 | 0 | 114.4 | R222 L291 | R222-E295 IonicContact CZ-OE1 3.1Å; R222-E295 IonicContact CZ-OE2 3.22Å; R222-E295 VanDerWaalsContact CZ-OE2 3.22Å; R222-E295 IonicContact NE-OE1 2.82Å; R222-E295 PolarHBondContact NE-OE1 3.25Å; R222-E295 IonicContact NE-OE2 3.37Å; R222-E295 PolarHBondContact NE-OE2 3.46Å; R222-E295 IonicContact NH1-OE1 3.87Å; R222-E295 IonicContact NH2-OE1 2.59Å; R222-E295 PolarHBondContact NH2-OE1 3.31Å; R222-E295 IonicContact NH2-OE2 2.82Å; R222-E295 PolarHBondContact NH2-OE2 2.89Å; L291-E295 VanDerWaalsContact CD1-CD 3.47Å; L291-E295 HydrophobicContact CD1-CG 4.09Å; L291-E295 WeakPolarHBondContact CD1-OE1 3.44Å; L291-E295 WeakPolarHBondContact O-CB 3.37Å; L291-E295 PolarHBondContact O-N 3.14Å |
| 296 | Y | 91.9 | Very high | 90.6 | Very high | 14 Ų | 14 | 43.4 Ų | 43.4 | 6% | 0.055 | 22% | 0.217 | C | C | . | . | I | π-helix | trans | -122 | -33.5 | -168.2 | -49.9 | -64.6 | 0 | 0 | 0 | 114.7 | R222 L225 T226 M229 L291 F292 V298 A299 A300 | R222-Y296 PolarHBondContact O-OH 3.25Å; L225-Y296 HydrophobicContact CD2-CD2 4.02Å; L225-Y296 HydrophobicContact CD2-CE2 3.45Å; L225-Y296 VanDerWaalsContact CD2-CE2 3.45Å; L225-Y296 HydrophobicContact CG-CD2 4.33Å; L225-Y296 HydrophobicContact CG-CE2 3.86Å; T226-Y296 HydrophobicContact CG2-CE1 4.25Å; T226-Y296 PolarHBondContact OG1-OH 3.42Å; M229-Y296 HydrophobicContact CB-CD1 4.11Å; M229-Y296 HydrophobicContact CB-CG 4.5Å; M229-Y296 HydrophobicContact CG-CD1 4.04Å; M229-Y296 HydrophobicContact CG-CD2 4.43Å; M229-Y296 HydrophobicContact CG-CG 3.99Å; L291-Y296 HydrophobicContact CG-CE2 4.33Å; F292-Y296 HydrophobicContact CD2-CD2 4.25Å; F292-Y296 PolarHBondContact O-N 2.95Å; Y296-V298 VanDerWaalsContact C-N 3.34Å; Y296-V298 PolarHBondContact O-N 2.96Å; Y296-A299 PolarHBondContact O-N 2.99Å; Y296-A299 VanDerWaalsContact O-N 3.14Å; Y296-A300 PolarHBondContact O-N 2.87Å |
| 297 | A | 92.1 | Very high | 90.9 | Very high | 0 Ų | 0 | 41.6 Ų | 41.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -59 | -43.8 | -170.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | F292 L293 A300 Q301 Y328 T338 | F292-A297 HydrophobicContact CD1-CB 4.39Å; F292-A297 HydrophobicContact CE1-CB 4.17Å; F292-A297 PolarHBondContact O-N 3.04Å; L293-A297 HydrophobicContact CD1-CB 4.06Å; A297-A300 PolarHBondContact O-N 3.17Å; A297-Q301 WeakPolarHBondContact O-CB 3.33Å; A297-Q301 PolarHBondContact O-N 2.92Å; A297-Y328 VanDerWaalsContact CA-OH 3.3Å; A297-Y328 WeakPolarHBondContact CA-OH 3.43Å; A297-Y328 PolarHBondContact O-OH 3.25Å; A297-T338 HydrophobicContact CB-CG2 3.84Å |
| 298 | V | 91.4 | Very high | 91.2 | Very high | 34 Ų | 34 | 33.4 Ų | 33.4 | 21% | 0.206 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -67 | -37.6 | 179.7 | -174.3 | 0 | 0 | 0 | 0 | 112 | Y296 Q301 Q302 L337 T338 N341 | Y296-V298 VanDerWaalsContact C-N 3.34Å; Y296-V298 PolarHBondContact O-N 2.96Å; V298-Q301 WeakPolarHBondContact O-CB 3.11Å; V298-Q301 PolarHBondContact O-N 2.9Å; V298-Q302 WeakPolarHBondContact O-CG 3.19Å; V298-Q302 PolarHBondContact O-N 3.43Å; V298-Q302 VanDerWaalsContact O-N 3.14Å; V298-L337 HydrophobicContact CG2-CD2 4.09Å; V298-L337 HydrophobicContact CG2-CG 3.9Å; V298-T338 HydrophobicContact CG2-CG2 4.26Å; V298-N341 HydrophobicContact CG1-CB 4.19Å; V298-N341 WeakPolarHBondContact CG1-ND2 3.44Å |
| 299 | A | 91.3 | Very high | 91.2 | Very high | 29 Ų | 29 | 37.4 Ų | 37.4 | 24% | 0.24 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -70.4 | -40.6 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K233 Y296 Q302 | K233-A299 HydrophobicContact CD-CB 4.12Å; Y296-A299 PolarHBondContact O-N 2.99Å; Y296-A299 VanDerWaalsContact O-N 3.14Å; A299-Q302 PolarHBondContact O-N 3.36Å |
| 300 | A | 92.9 | Very high | 91.2 | Very high | 1 Ų | 1 | 38.8 Ų | 38.8 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -44.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 110.9 | M229 L268 Y296 A297 Q302 V303 L304 Y328 | M229-A300 HydrophobicContact CE-CB 4.47Å; L268-A300 HydrophobicContact CD2-CB 4.4Å; Y296-A300 PolarHBondContact O-N 2.87Å; A297-A300 PolarHBondContact O-N 3.17Å; A300-Q302 VanDerWaalsContact C-N 3.28Å; A300-Q302 PolarHBondContact O-N 3.03Å; A300-V303 PolarHBondContact O-N 3.34Å; A300-V303 VanDerWaalsContact O-N 3.09Å; A300-L304 VanDerWaalsContact O-CG 3.31Å; A300-L304 WeakPolarHBondContact O-CG 3.31Å; A300-L304 PolarHBondContact O-N 3.27Å; A300-L304 VanDerWaalsContact O-N 3.1Å; A300-Y328 HydrophobicContact CB-CE1 4.37Å; A300-Y328 HydrophobicContact CB-CE2 4.47Å; A300-Y328 WeakPolarHBondContact CB-OH 3.27Å |
| 301 | Q | 91.8 | Very high | 91.3 | Very high | 1 Ų | 1 | 37 Ų | 37 | 1% | 0.005 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -54.4 | -40.9 | 176.8 | -170.5 | -178.9 | 34.7 | 0 | 0 | 113 | A297 V298 V303 L304 L305 Y328 I329 T338 | A297-Q301 WeakPolarHBondContact O-CB 3.33Å; A297-Q301 PolarHBondContact O-N 2.92Å; V298-Q301 WeakPolarHBondContact O-CB 3.11Å; V298-Q301 PolarHBondContact O-N 2.9Å; Q301-V303 VanDerWaalsContact C-N 3.35Å; Q301-V303 PolarHBondContact O-N 3.38Å; Q301-L304 PolarHBondContact O-N 3.32Å; Q301-L305 WeakPolarHBondContact O-CG 3.43Å; Q301-L305 PolarHBondContact O-N 3.11Å; Q301-Y328 HydrophobicContact CB-CE1 4.39Å; Q301-I329 HydrophobicContact CG-CD1 3.79Å; Q301-T338 PolarHBondContact NE2-O 3.1Å; Q301-T338 PolarHBondContact OE1-O 3.19Å |
| 302 | Q | 91 | Very high | 91.3 | Very high | 115 Ų | 115 | 39.6 Ų | 39.6 | 54% | 0.537 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.2 | -39.6 | 178.3 | -73.2 | 174.3 | -4.5 | 0 | 0 | 113.2 | V298 A299 A300 K306 | V298-Q302 WeakPolarHBondContact O-CG 3.19Å; V298-Q302 PolarHBondContact O-N 3.43Å; V298-Q302 VanDerWaalsContact O-N 3.14Å; A299-Q302 PolarHBondContact O-N 3.36Å; A300-Q302 VanDerWaalsContact C-N 3.28Å; A300-Q302 PolarHBondContact O-N 3.03Å; Q302-K306 PolarHBondContact O-N 3Å |
| 303 | V | 92.8 | Very high | 91.2 | Very high | 24 Ų | 24 | 46.1 Ų | 46.1 | 15% | 0.145 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68 | -40.1 | 176.7 | -179.8 | 0 | 0 | 0 | 0 | 110.4 | K233 V236 D237 A300 Q301 L305 K306 V307 | K233-V303 HydrophobicContact CB-CG2 4.24Å; K233-V303 HydrophobicContact CG-CG2 4.28Å; V236-V303 HydrophobicContact CB-CG1 3.91Å; V236-V303 HydrophobicContact CG1-CG1 3.65Å; D237-V303 HydrophobicContact CB-CG1 3.8Å; A300-V303 PolarHBondContact O-N 3.34Å; A300-V303 VanDerWaalsContact O-N 3.09Å; Q301-V303 VanDerWaalsContact C-N 3.35Å; Q301-V303 PolarHBondContact O-N 3.38Å; V303-L305 PolarHBondContact O-N 3.46Å; V303-K306 VanDerWaalsContact O-CB 3.25Å; V303-K306 WeakPolarHBondContact O-CB 3.43Å; V303-K306 PolarHBondContact O-N 2.88Å; V303-K306 VanDerWaalsContact O-N 3.1Å; V303-V307 PolarHBondContact O-N 2.93Å |
| 304 | L | 93.2 | Very high | 91 | Very high | 1 Ų | 1 | 55 Ų | 55 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -65.3 | -38.2 | 178.5 | -65.8 | 176.5 | 0 | 0 | 0 | 112.7 | V236 L265 A300 Q301 K306 V307 L308 T325 Y328 I329 | V236-L304 HydrophobicContact CG1-CD2 4.15Å; L265-L304 HydrophobicContact CD2-CD2 3.13Å; A300-L304 VanDerWaalsContact O-CG 3.31Å; A300-L304 WeakPolarHBondContact O-CG 3.31Å; A300-L304 PolarHBondContact O-N 3.27Å; A300-L304 VanDerWaalsContact O-N 3.1Å; Q301-L304 PolarHBondContact O-N 3.32Å; L304-K306 PolarHBondContact O-N 3.13Å; L304-V307 WeakPolarHBondContact O-CB 3.34Å; L304-V307 PolarHBondContact O-N 3.4Å; L304-V307 VanDerWaalsContact O-N 3.07Å; L304-L308 PolarHBondContact O-N 3.01Å; L304-T325 HydrophobicContact CB-CG2 3.9Å; L304-T325 HydrophobicContact CD2-CG2 4.04Å; L304-T325 HydrophobicContact CG-CG2 4.46Å; L304-Y328 HydrophobicContact CD1-CD1 3.13Å; L304-Y328 HydrophobicContact CD1-CD2 4.07Å; L304-Y328 HydrophobicContact CD1-CE1 3.73Å; L304-Y328 HydrophobicContact CD1-CG 3.35Å; L304-I329 HydrophobicContact CB-CD1 4.27Å |
| 305 | L | 92.7 | Very high | 91 | Very high | 10 Ų | 10 | 52.8 Ų | 52.8 | 5% | 0.052 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -57.6 | -36.6 | 172.1 | -70.6 | 174.9 | 0 | 0 | 0 | 111.6 | Q301 V303 L308 Y309 I329 L342 H345 I349 | Q301-L305 WeakPolarHBondContact O-CG 3.43Å; Q301-L305 PolarHBondContact O-N 3.11Å; V303-L305 PolarHBondContact O-N 3.46Å; L305-L308 PolarHBondContact O-N 2.85Å; L305-Y309 HydrophobicContact CB-CD2 4.49Å; L305-Y309 HydrophobicContact CB-CE2 4.14Å; L305-Y309 WeakPolarHBondContact O-CD2 3.4Å; L305-Y309 PolarHBondContact O-N 3.5Å; L305-I329 HydrophobicContact CD2-CD1 4.49Å; L305-L342 HydrophobicContact CD2-CD1 4.16Å; L305-H345 HydrophobicContact CD2-CB 4.33Å; L305-I349 HydrophobicContact CD2-CD1 3.65Å |
| 306 | K | 91.4 | Very high | 90.9 | Very high | 83 Ų | 83 | 50.7 Ų | 50.7 | 36% | 0.361 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -64.4 | -39.1 | 175.6 | -163.2 | -173.4 | 171.6 | -167.9 | 0 | 112.1 | D237 Q302 V303 L304 L308 Y309 Q310 | D237-K306 WeakPolarHBondContact OD1-CD 3.37Å; D237-K306 WeakPolarHBondContact OD1-CE 3.49Å; D237-K306 IonicContact OD1-NZ 3.16Å; D237-K306 PolarHBondContact OD1-NZ 3.39Å; D237-K306 IonicContact OD2-NZ 3.39Å; Q302-K306 PolarHBondContact O-N 3Å; V303-K306 VanDerWaalsContact O-CB 3.25Å; V303-K306 WeakPolarHBondContact O-CB 3.43Å; V303-K306 PolarHBondContact O-N 2.88Å; V303-K306 VanDerWaalsContact O-N 3.1Å; L304-K306 PolarHBondContact O-N 3.13Å; K306-L308 VanDerWaalsContact C-N 3.34Å; K306-Y309 PolarHBondContact O-N 3.22Å; K306-Q310 WeakPolarHBondContact O-CG 3.43Å; K306-Q310 PolarHBondContact O-N 3.33Å |
| 307 | V | 92.1 | Very high | 90.8 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 2% | 0.024 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -61.7 | -43.4 | 173.6 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | V236 V303 L304 Y309 Q310 Y311 V317 V321 T325 | V236-V307 HydrophobicContact CG1-CG2 3.94Å; V303-V307 PolarHBondContact O-N 2.93Å; L304-V307 WeakPolarHBondContact O-CB 3.34Å; L304-V307 PolarHBondContact O-N 3.4Å; L304-V307 VanDerWaalsContact O-N 3.07Å; V307-Y309 VanDerWaalsContact C-N 3.33Å; V307-Y309 PolarHBondContact O-N 3.36Å; V307-Q310 WeakPolarHBondContact O-CB 3.36Å; V307-Q310 PolarHBondContact O-N 3.25Å; V307-Y311 PolarHBondContact O-N 2.91Å; V307-Y311 VanDerWaalsContact O-N 3.11Å; V307-V317 HydrophobicContact CG1-CG1 4.01Å; V307-V321 HydrophobicContact CG1-CG1 4.26Å; V307-T325 HydrophobicContact CB-CG2 4.4Å |
| 308 | L | 92.7 | Very high | 90.8 | Very high | 4 Ų | 4 | 50.7 Ų | 50.7 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -64.3 | -37.2 | 175.4 | -61.6 | -172.6 | 0 | 0 | 0 | 112.3 | L304 L305 K306 Y311 K312 L322 T325 L326 I329 I349 V353 | L304-L308 PolarHBondContact O-N 3.01Å; L305-L308 PolarHBondContact O-N 2.85Å; K306-L308 VanDerWaalsContact C-N 3.34Å; L308-Y311 PolarHBondContact O-N 3.14Å; L308-K312 PolarHBondContact O-N 3.23Å; L308-L322 HydrophobicContact CD2-CD1 3.71Å; L308-T325 HydrophobicContact CD1-CG2 4.47Å; L308-T325 HydrophobicContact CD2-CG2 3.54Å; L308-T325 HydrophobicContact CG-CG2 3.81Å; L308-L326 HydrophobicContact CD2-CD2 4.16Å; L308-I329 HydrophobicContact CD1-CG1 4.26Å; L308-I349 HydrophobicContact CD1-CD1 4.15Å; L308-I349 HydrophobicContact CD1-CG1 4.23Å; L308-I349 HydrophobicContact CD1-CG2 4.13Å; L308-V353 HydrophobicContact CB-CG2 4.3Å; L308-V353 HydrophobicContact CD2-CG1 4.2Å |
| 309 | Y | 90.1 | Very high | 90.7 | Very high | 100 Ų | 100 | 51.9 Ų | 51.9 | 39% | 0.392 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -66.3 | -37.6 | 173.7 | -71.7 | -56.8 | 0 | 0 | 0 | 112.8 | L305 K306 V307 Y311 K312 E313 H345 | L305-Y309 HydrophobicContact CB-CD2 4.49Å; L305-Y309 HydrophobicContact CB-CE2 4.14Å; L305-Y309 WeakPolarHBondContact O-CD2 3.4Å; L305-Y309 PolarHBondContact O-N 3.5Å; K306-Y309 PolarHBondContact O-N 3.22Å; V307-Y309 VanDerWaalsContact C-N 3.33Å; V307-Y309 PolarHBondContact O-N 3.36Å; Y309-Y311 VanDerWaalsContact C-N 3.33Å; Y309-K312 HydrophobicContact CD1-CD 4.41Å; Y309-K312 WeakPolarHBondContact O-CB 3.37Å; Y309-K312 PolarHBondContact O-N 3.16Å; Y309-E313 WeakPolarHBondContact O-CG 3.4Å; Y309-E313 PolarHBondContact O-N 3.43Å; Y309-H345 PolarHBondContact OH-CE1 2.9Å; Y309-H345 PolarHBondContact OH-ND1 3.25Å |
| 310 | Q | 89.4 | Confident | 90.6 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 14% | 0.136 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.1 | -45.2 | 173.9 | -73.6 | 174.8 | -24.7 | 0 | 0 | 111.1 | K306 V307 K312 E313 K314 Q315 V317 | K306-Q310 WeakPolarHBondContact O-CG 3.43Å; K306-Q310 PolarHBondContact O-N 3.33Å; V307-Q310 WeakPolarHBondContact O-CB 3.36Å; V307-Q310 PolarHBondContact O-N 3.25Å; Q310-K312 PolarHBondContact O-N 3.24Å; Q310-E313 PolarHBondContact O-N 3.17Å; Q310-K314 PolarHBondContact O-N 2.64Å; Q310-Q315 HydrophobicContact CB-CB 4.31Å; Q310-Q315 WeakPolarHBondContact O-CB 3.39Å; Q310-Q315 PolarHBondContact O-N 3.36Å; Q310-V317 HydrophobicContact CB-CG2 4.43Å |
| 311 | Y | 90.2 | Very high | 90.6 | Very high | 61 Ų | 61 | 53.9 Ų | 53.9 | 24% | 0.239 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -60.2 | -45.7 | 174.5 | -178.5 | -101.7 | 0 | 0 | 0 | 111.8 | V307 L308 Y309 E313 K314 L322 V353 L357 | V307-Y311 PolarHBondContact O-N 2.91Å; V307-Y311 VanDerWaalsContact O-N 3.11Å; L308-Y311 PolarHBondContact O-N 3.14Å; Y309-Y311 VanDerWaalsContact C-N 3.33Å; Y311-E313 VanDerWaalsContact C-N 3.26Å; Y311-E313 PolarHBondContact O-N 2.88Å; Y311-K314 WeakPolarHBondContact O-CA 3.45Å; Y311-K314 PolarHBondContact O-N 3.05Å; Y311-L322 HydrophobicContact CD1-CD2 4.37Å; Y311-L322 HydrophobicContact CD2-CD2 3.77Å; Y311-L322 HydrophobicContact CE1-CD2 4.29Å; Y311-L322 HydrophobicContact CE2-CD2 3.69Å; Y311-L322 HydrophobicContact CG-CD1 4.3Å; Y311-L322 HydrophobicContact CG-CD2 4.11Å; Y311-V353 HydrophobicContact CD1-CB 4.45Å; Y311-V353 HydrophobicContact CD1-CG1 3.89Å; Y311-V353 HydrophobicContact CD1-CG2 4.43Å; Y311-V353 HydrophobicContact CE1-CG1 4.23Å; Y311-L357 HydrophobicContact CE1-CD2 4.27Å; Y311-L357 HydrophobicContact CE1-CG 4.11Å; Y311-L357 WeakPolarHBondContact OH-CD2 3.46Å |
| 312 | K | 89.3 | Confident | 90.7 | Very high | 97 Ų | 97 | 54 Ų | 54 | 42% | 0.422 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.4 | -37.3 | 174.8 | 171.1 | 177.7 | 179.3 | 170.5 | 0 | 113 | L308 Y309 Q310 K314 D352 | L308-K312 PolarHBondContact O-N 3.23Å; Y309-K312 HydrophobicContact CD1-CD 4.41Å; Y309-K312 WeakPolarHBondContact O-CB 3.37Å; Y309-K312 PolarHBondContact O-N 3.16Å; Q310-K312 PolarHBondContact O-N 3.24Å; K312-K314 PolarHBondContact O-N 3.3Å; K312-D352 HydrophobicContact CD-CB 3.6Å; K312-D352 VanDerWaalsContact CE-CG 3.48Å; K312-D352 VanDerWaalsContact CE-OD2 3.25Å; K312-D352 WeakPolarHBondContact CE-OD2 3.45Å; K312-D352 HydrophobicContact CG-CB 3.9Å; K312-D352 IonicContact NZ-OD1 2.59Å; K312-D352 IonicContact NZ-OD2 3.85Å; K312-D352 PolarHBondContact NZ-OD2 3.2Å |
| 313 | E | 89.6 | Confident | 90.8 | Very high | 138 Ų | 138 | 49 Ų | 49 | 65% | 0.645 | 22% | 0.222 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76.2 | 6.5 | 176.3 | -70.5 | -170.3 | 152.8 | 0 | 0 | 113.7 | Y309 Q310 Y311 Q315 | Y309-E313 WeakPolarHBondContact O-CG 3.4Å; Y309-E313 PolarHBondContact O-N 3.43Å; Q310-E313 PolarHBondContact O-N 3.17Å; Y311-E313 VanDerWaalsContact C-N 3.26Å; Y311-E313 PolarHBondContact O-N 2.88Å; E313-Q315 HydrophobicContact CB-CG 4.33Å; E313-Q315 PolarHBondContact O-N 3.23Å; E313-Q315 PolarHBondContact OE2-NE2 3.44Å |
| 314 | K | 86 | Confident | 90.7 | Very high | 198 Ų | 198 | 48.4 Ų | 48.4 | 86% | 0.861 | 22% | 0.218 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 62.5 | 28.7 | -175.3 | -52.7 | -172.8 | 173.9 | -164 | 0 | 113.4 | Q310 Y311 K312 | Q310-K314 PolarHBondContact O-N 2.64Å; Y311-K314 WeakPolarHBondContact O-CA 3.45Å; Y311-K314 PolarHBondContact O-N 3.05Å; K312-K314 PolarHBondContact O-N 3.3Å |
| 315 | Q | 88.8 | Confident | 90.8 | Very high | 87 Ų | 87 | 48.4 Ų | 48.4 | 41% | 0.407 | 22% | 0.218 | S | C | . | . | trans | -80.8 | 137.4 | 166.3 | -55.8 | -178 | 9.4 | 0 | 0 | 108.5 | Q310 E313 V317 | Q310-Q315 HydrophobicContact CB-CB 4.31Å; Q310-Q315 WeakPolarHBondContact O-CB 3.39Å; Q310-Q315 PolarHBondContact O-N 3.36Å; E313-Q315 HydrophobicContact CB-CG 4.33Å; E313-Q315 PolarHBondContact O-N 3.23Å; E313-Q315 PolarHBondContact OE2-NE2 3.44Å; Q315-V317 PolarHBondContact O-N 3.16Å | ||
| 316 | Y | 88.8 | Confident | 90.9 | Very high | 35 Ų | 35 | 47.9 Ų | 47.9 | 14% | 0.137 | 22% | 0.215 | C | C | . | . | trans | -62.5 | 129 | 179.8 | 176.4 | -90.3 | 0 | 0 | 0 | 110.7 | E249 R252 P253 W258 A318 | E249-Y316 HydrophobicContact CG-CD2 4.3Å; E249-Y316 HydrophobicContact CG-CE2 3.72Å; E249-Y316 PolarHBondContact O-OH 3.08Å; R252-Y316 HydrophobicContact CB-CE1 3.68Å; R252-Y316 WeakPolarHBondContact CB-OH 3.37Å; R252-Y316 HydrophobicContact CG-CE1 4.32Å; P253-Y316 WeakPolarHBondContact CD-OH 3.41Å; P253-Y316 WeakPolarHBondContact CG-OH 3.34Å; W258-Y316 AromaticContact CE2-CD1 3.9Å; W258-Y316 AromaticContact CE2-CE1 3.81Å; W258-Y316 HydrophobicContact CH2-CD1 4.46Å; W258-Y316 WeakPolarHBondContact CH2-O 3.21Å; W258-Y316 AromaticContact CZ2-CD1 3.64Å; W258-Y316 HydrophobicContact CZ2-CD1 3.64Å; W258-Y316 HydrophobicContact CZ2-CE1 4.01Å; W258-Y316 WeakPolarHBondContact CZ2-O 3.46Å; W258-Y316 AromaticContact NE1-CD1 4Å; W258-Y316 AromaticContact NE1-CE1 3.7Å; Y316-A318 HydrophobicContact CE1-CB 4.44Å | ||
| 317 | V | 89.9 | Confident | 91 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 6% | 0.055 | 21% | 0.212 | C | C | . | . | trans | -128.4 | 127 | 172.5 | 179 | 0 | 0 | 0 | 0 | 107.1 | W258 V307 Q310 Q315 V321 L322 | W258-V317 HydrophobicContact CH2-CB 4.46Å; W258-V317 HydrophobicContact CZ3-CG1 4.17Å; V307-V317 HydrophobicContact CG1-CG1 4.01Å; Q310-V317 HydrophobicContact CB-CG2 4.43Å; Q315-V317 PolarHBondContact O-N 3.16Å; V317-V321 HydrophobicContact CG1-CB 4.13Å; V317-V321 HydrophobicContact CG1-CG1 3.86Å; V317-L322 HydrophobicContact CG1-CB 4.17Å | ||
| 318 | A | 90.8 | Very high | 91 | Very high | 4 Ų | 4 | 46.7 Ų | 46.7 | 3% | 0.033 | 21% | 0.212 | C | C | . | . | trans | -58 | 137.5 | 179.6 | 0 | 0 | 0 | 0 | 0 | 111.1 | W258 Y316 R320 V321 L322 | W258-A318 HydrophobicContact CB-CB 3.92Å; W258-A318 HydrophobicContact CD2-CB 3.65Å; W258-A318 HydrophobicContact CE3-CB 3.56Å; W258-A318 HydrophobicContact CG-CB 3.82Å; W258-A318 HydrophobicContact CZ3-CB 4.33Å; Y316-A318 HydrophobicContact CE1-CB 4.44Å; A318-R320 VanDerWaalsContact C-N 3.34Å; A318-R320 PolarHBondContact O-N 2.96Å; A318-V321 HydrophobicContact CB-CB 4.46Å; A318-V321 HydrophobicContact CB-CG2 4.25Å; A318-V321 WeakPolarHBondContact O-CA 3.39Å; A318-V321 WeakPolarHBondContact O-CB 3.26Å; A318-V321 PolarHBondContact O-N 2.86Å; A318-L322 PolarHBondContact O-N 3.25Å; A318-L322 VanDerWaalsContact O-N 3.11Å | ||
| 319 | P | 89.9 | Confident | 91.1 | Very high | 60 Ų | 60 | 46.5 Ų | 46.5 | 39% | 0.39 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -50.3 | -49 | -175.1 | -31.4 | 35.8 | 0 | 0 | 0 | 113.5 | V321 L322 Q323 P389 | P319-V321 VanDerWaalsContact C-N 3.27Å; P319-V321 PolarHBondContact O-N 3.39Å; P319-L322 WeakPolarHBondContact O-CB 3.47Å; P319-L322 PolarHBondContact O-N 3.44Å; P319-L322 VanDerWaalsContact O-N 3.09Å; P319-Q323 WeakPolarHBondContact O-CB 3.5Å; P319-Q323 PolarHBondContact O-N 3.35Å; P319-P389 HydrophobicContact CB-CG 3.74Å |
| 320 | R | 89 | Confident | 91.3 | Very high | 68 Ų | 68 | 43 Ų | 43 | 26% | 0.257 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -63.3 | -27.8 | 178.4 | -96.1 | -58.1 | -159.4 | -170.4 | -8.3 | 114.9 | K262 A318 Q324 F386 I387 | K262-R320 HydrophobicContact CD-CB 3.82Å; K262-R320 HydrophobicContact CD-CG 4.2Å; K262-R320 HydrophobicContact CG-CB 4.12Å; A318-R320 VanDerWaalsContact C-N 3.34Å; A318-R320 PolarHBondContact O-N 2.96Å; R320-Q324 WeakPolarHBondContact O-CB 3.49Å; R320-Q324 VanDerWaalsContact O-CG 3.24Å; R320-Q324 WeakPolarHBondContact O-CG 3.4Å; R320-Q324 PolarHBondContact O-N 3.2Å; R320-F386 PolarHBondContact NH1-O 3.24Å; R320-F386 PolarHBondContact NH2-O 3.44Å; R320-F386 VanDerWaalsContact NH2-O 3.17Å; R320-I387 HydrophobicContact CG-CG2 3.9Å; R320-I387 VanDerWaalsContact CZ-CA 3.44Å; R320-I387 VanDerWaalsContact NE-CG2 3.32Å |
| 321 | V | 93.1 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.6 Ų | 43.6 | 2% | 0.018 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -72.9 | -42.5 | 174.8 | 170 | 0 | 0 | 0 | 0 | 109.5 | W258 K261 K262 L265 V307 V317 A318 P319 T325 | W258-V321 HydrophobicContact CE3-CB 4.5Å; W258-V321 HydrophobicContact CE3-CG2 4.05Å; W258-V321 HydrophobicContact CZ3-CG1 4.4Å; K261-V321 HydrophobicContact CB-CG2 4.09Å; K262-V321 HydrophobicContact CB-CG2 4.15Å; L265-V321 HydrophobicContact CD1-CB 4.06Å; L265-V321 HydrophobicContact CD1-CG1 3.46Å; L265-V321 VanDerWaalsContact CD1-CG1 3.46Å; L265-V321 HydrophobicContact CD1-CG2 4.42Å; L265-V321 VanDerWaalsContact CD1-O 3.28Å; L265-V321 WeakPolarHBondContact CD1-O 3.42Å; V307-V321 HydrophobicContact CG1-CG1 4.26Å; V317-V321 HydrophobicContact CG1-CB 4.13Å; V317-V321 HydrophobicContact CG1-CG1 3.86Å; A318-V321 HydrophobicContact CB-CB 4.46Å; A318-V321 HydrophobicContact CB-CG2 4.25Å; A318-V321 WeakPolarHBondContact O-CA 3.39Å; A318-V321 WeakPolarHBondContact O-CB 3.26Å; A318-V321 PolarHBondContact O-N 2.86Å; P319-V321 VanDerWaalsContact C-N 3.27Å; P319-V321 PolarHBondContact O-N 3.39Å; V321-T325 WeakPolarHBondContact O-CB 3.31Å; V321-T325 PolarHBondContact O-N 3.18Å; V321-T325 PolarHBondContact O-OG1 3.24Å |
| 322 | L | 93.3 | Very high | 91.4 | Very high | 4 Ų | 4 | 40.8 Ų | 40.8 | 2% | 0.021 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.3 | -47.2 | 175.8 | -173.8 | 57.5 | 0 | 0 | 0 | 111.5 | L308 Y311 V317 A318 P319 Q324 T325 L326 L357 P389 | L308-L322 HydrophobicContact CD2-CD1 3.71Å; Y311-L322 HydrophobicContact CD1-CD2 4.37Å; Y311-L322 HydrophobicContact CD2-CD2 3.77Å; Y311-L322 HydrophobicContact CE1-CD2 4.29Å; Y311-L322 HydrophobicContact CE2-CD2 3.69Å; Y311-L322 HydrophobicContact CG-CD1 4.3Å; Y311-L322 HydrophobicContact CG-CD2 4.11Å; V317-L322 HydrophobicContact CG1-CB 4.17Å; A318-L322 PolarHBondContact O-N 3.25Å; A318-L322 VanDerWaalsContact O-N 3.11Å; P319-L322 WeakPolarHBondContact O-CB 3.47Å; P319-L322 PolarHBondContact O-N 3.44Å; P319-L322 VanDerWaalsContact O-N 3.09Å; L322-Q324 PolarHBondContact O-N 3.37Å; L322-T325 WeakPolarHBondContact O-CB 3.44Å; L322-T325 PolarHBondContact O-N 3.41Å; L322-T325 VanDerWaalsContact O-N 3.14Å; L322-L326 HydrophobicContact CG-CD1 4.29Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 2.92Å; L322-L357 HydrophobicContact CD2-CD1 4Å; L322-L357 HydrophobicContact CD2-CD2 3.86Å; L322-L357 HydrophobicContact CD2-CG 4.47Å; L322-L357 HydrophobicContact CG-CD1 4.48Å; L322-P389 HydrophobicContact CD2-CB 4.22Å; L322-P389 HydrophobicContact CG-CB 4.37Å |
| 323 | Q | 92.8 | Very high | 91.4 | Very high | 9 Ų | 9 | 36.1 Ų | 36.1 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.1 | -50.7 | 177.8 | -177.9 | -92 | -11.4 | 0 | 0 | 112.4 | P319 T325 L326 N327 F386 I387 P389 A392 | P319-Q323 WeakPolarHBondContact O-CB 3.5Å; P319-Q323 PolarHBondContact O-N 3.35Å; Q323-T325 VanDerWaalsContact C-N 3.28Å; Q323-T325 PolarHBondContact O-N 2.67Å; Q323-L326 PolarHBondContact O-N 2.7Å; Q323-N327 PolarHBondContact NE2-ND2 3.07Å; Q323-N327 PolarHBondContact O-N 2.87Å; Q323-N327 PolarHBondContact O-OD1 3.17Å; Q323-F386 PolarHBondContact NE2-O 3.03Å; Q323-F386 VanDerWaalsContact NE2-O 3.14Å; Q323-I387 WeakPolarHBondContact CG-O 3.38Å; Q323-P389 HydrophobicContact CB-CG 4.35Å; Q323-A392 HydrophobicContact CG-CB 3.84Å |
| 324 | Q | 92.3 | Very high | 91.3 | Very high | 13 Ų | 13 | 29.8 Ų | 29.8 | 6% | 0.061 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -65.2 | -32.3 | 177.3 | -68.2 | -67.9 | -42.2 | 0 | 0 | 112.7 | L265 H266 R320 L322 Y328 | L265-Q324 HydrophobicContact CB-CB 3.84Å; L265-Q324 HydrophobicContact CD1-CB 4.32Å; H266-Q324 PolarHBondContact CD2-OE1 2.94Å; R320-Q324 WeakPolarHBondContact O-CB 3.49Å; R320-Q324 VanDerWaalsContact O-CG 3.24Å; R320-Q324 WeakPolarHBondContact O-CG 3.4Å; R320-Q324 PolarHBondContact O-N 3.2Å; L322-Q324 PolarHBondContact O-N 3.37Å; Q324-Y328 PolarHBondContact O-N 3.4Å; Q324-Y328 VanDerWaalsContact O-N 3.09Å |
| 325 | T | 95.2 | Very high | 91.4 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -63.9 | -46.4 | 174.3 | -59.6 | 0 | 0 | 0 | 0 | 110.3 | L265 L304 V307 L308 V321 L322 Q323 Y328 I329 | L265-T325 WeakPolarHBondContact CD1-OG1 3.43Å; L304-T325 HydrophobicContact CB-CG2 3.9Å; L304-T325 HydrophobicContact CD2-CG2 4.04Å; L304-T325 HydrophobicContact CG-CG2 4.46Å; V307-T325 HydrophobicContact CB-CG2 4.4Å; L308-T325 HydrophobicContact CD1-CG2 4.47Å; L308-T325 HydrophobicContact CD2-CG2 3.54Å; L308-T325 HydrophobicContact CG-CG2 3.81Å; V321-T325 WeakPolarHBondContact O-CB 3.31Å; V321-T325 PolarHBondContact O-N 3.18Å; V321-T325 PolarHBondContact O-OG1 3.24Å; L322-T325 WeakPolarHBondContact O-CB 3.44Å; L322-T325 PolarHBondContact O-N 3.41Å; L322-T325 VanDerWaalsContact O-N 3.14Å; Q323-T325 VanDerWaalsContact C-N 3.28Å; Q323-T325 PolarHBondContact O-N 2.67Å; T325-Y328 PolarHBondContact O-N 3.41Å; T325-I329 VanDerWaalsContact O-CG1 3.31Å; T325-I329 WeakPolarHBondContact O-CG1 3.29Å; T325-I329 PolarHBondContact O-N 3.24Å; T325-I329 VanDerWaalsContact O-N 3.1Å |
| 326 | L | 94.6 | Very high | 91.4 | Very high | 0 Ų | 0 | 16.9 Ų | 16.9 | 0% | 0 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -62.9 | -44.2 | 177.7 | -66.5 | 169.6 | 0 | 0 | 0 | 111.6 | L308 L322 Q323 Y328 I329 N330 V353 L357 P389 A392 A393 L396 | L308-L326 HydrophobicContact CD2-CD2 4.16Å; L322-L326 HydrophobicContact CG-CD1 4.29Å; L322-L326 WeakPolarHBondContact O-CG 3.43Å; L322-L326 PolarHBondContact O-N 2.92Å; Q323-L326 PolarHBondContact O-N 2.7Å; L326-Y328 PolarHBondContact O-N 3.08Å; L326-I329 PolarHBondContact O-N 3.47Å; L326-N330 WeakPolarHBondContact O-CB 3.49Å; L326-N330 PolarHBondContact O-N 3.4Å; L326-V353 HydrophobicContact CD2-CG1 4.36Å; L326-L357 HydrophobicContact CD1-CD1 3.88Å; L326-P389 WeakPolarHBondContact CD1-O 3.46Å; L326-A392 HydrophobicContact CB-CB 4.04Å; L326-A392 HydrophobicContact CD1-CB 4.23Å; L326-A393 HydrophobicContact CD1-CB 4Å; L326-L396 HydrophobicContact CD2-CD2 3.64Å |
| 327 | N | 92.3 | Very high | 91.5 | Very high | 56 Ų | 56 | 18.7 Ų | 18.7 | 30% | 0.299 | 10% | 0.099 | S | C | . | . | H | α-helix | trans | -59.9 | -42.9 | 177.2 | -71.6 | 5.8 | 0 | 0 | 0 | 112.6 | Q323 I329 N330 Q331 A392 | Q323-N327 PolarHBondContact NE2-ND2 3.07Å; Q323-N327 PolarHBondContact O-N 2.87Å; Q323-N327 PolarHBondContact O-OD1 3.17Å; N327-I329 PolarHBondContact O-N 2.99Å; N327-N330 WeakPolarHBondContact O-CB 3.46Å; N327-N330 PolarHBondContact O-N 3.4Å; N327-Q331 PolarHBondContact O-N 3.09Å; N327-A392 VanDerWaalsContact OD1-CB 3.27Å; N327-A392 WeakPolarHBondContact OD1-CB 3.34Å |
| 328 | Y | 93.8 | Very high | 91.5 | Very high | 5 Ų | 5 | 18.3 Ų | 18.3 | 2% | 0.02 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -63.5 | -42.7 | 176.4 | -172.4 | -75.3 | 0 | 0 | 0 | 111.6 | L268 F272 A297 A300 Q301 L304 Q324 T325 L326 N330 Q331 G332 | L268-Y328 HydrophobicContact CB-CD2 4.14Å; L268-Y328 HydrophobicContact CB-CE2 4.08Å; L268-Y328 WeakPolarHBondContact O-CE2 3.44Å; F272-Y328 HydrophobicContact CB-CD2 4.27Å; F272-Y328 HydrophobicContact CB-CE2 3.82Å; F272-Y328 HydrophobicContact CD1-CD1 4.21Å; F272-Y328 HydrophobicContact CD1-CD2 4.06Å; F272-Y328 AromaticContact CD1-CE1 3.87Å; F272-Y328 HydrophobicContact CD1-CE1 3.87Å; F272-Y328 AromaticContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CE2 3.71Å; F272-Y328 HydrophobicContact CD1-CG 4.29Å; F272-Y328 AromaticContact CD1-CZ 3.59Å; F272-Y328 HydrophobicContact CE1-CE1 4.13Å; F272-Y328 HydrophobicContact CG-CE2 4.17Å; A297-Y328 VanDerWaalsContact CA-OH 3.3Å; A297-Y328 WeakPolarHBondContact CA-OH 3.43Å; A297-Y328 PolarHBondContact O-OH 3.25Å; A300-Y328 HydrophobicContact CB-CE1 4.37Å; A300-Y328 HydrophobicContact CB-CE2 4.47Å; A300-Y328 WeakPolarHBondContact CB-OH 3.27Å; Q301-Y328 HydrophobicContact CB-CE1 4.39Å; L304-Y328 HydrophobicContact CD1-CD1 3.13Å; L304-Y328 HydrophobicContact CD1-CD2 4.07Å; L304-Y328 HydrophobicContact CD1-CE1 3.73Å; L304-Y328 HydrophobicContact CD1-CG 3.35Å; Q324-Y328 PolarHBondContact O-N 3.4Å; Q324-Y328 VanDerWaalsContact O-N 3.09Å; T325-Y328 PolarHBondContact O-N 3.41Å; L326-Y328 PolarHBondContact O-N 3.08Å; Y328-N330 VanDerWaalsContact C-N 3.28Å; Y328-N330 PolarHBondContact O-N 3.21Å; Y328-Q331 PolarHBondContact O-N 3.02Å; Y328-G332 PolarHBondContact O-N 3.28Å; Y328-G332 VanDerWaalsContact O-N 3.13Å |
| 329 | I | 94.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -63.7 | -38.2 | 176.1 | -63.9 | -61.7 | 0 | 0 | 0 | 110.5 | Q301 L304 L305 L308 T325 L326 N327 G332 I333 L342 L396 | Q301-I329 HydrophobicContact CG-CD1 3.79Å; L304-I329 HydrophobicContact CB-CD1 4.27Å; L305-I329 HydrophobicContact CD2-CD1 4.49Å; L308-I329 HydrophobicContact CD1-CG1 4.26Å; T325-I329 VanDerWaalsContact O-CG1 3.31Å; T325-I329 WeakPolarHBondContact O-CG1 3.29Å; T325-I329 PolarHBondContact O-N 3.24Å; T325-I329 VanDerWaalsContact O-N 3.1Å; L326-I329 PolarHBondContact O-N 3.47Å; N327-I329 PolarHBondContact O-N 2.99Å; I329-G332 WeakPolarHBondContact O-CA 3.3Å; I329-G332 PolarHBondContact O-N 2.95Å; I329-G332 VanDerWaalsContact O-N 3.16Å; I329-I333 PolarHBondContact O-N 3.06Å; I329-L342 HydrophobicContact CD1-CD1 4.49Å; I329-L342 HydrophobicContact CG2-CD1 3.8Å; I329-L342 HydrophobicContact CG2-CD2 3.68Å; I329-L342 HydrophobicContact CG2-CG 4.4Å; I329-L396 HydrophobicContact CB-CD1 4.39Å; I329-L396 HydrophobicContact CG2-CD1 3.89Å; I329-L396 HydrophobicContact CG2-CD2 4.39Å |
| 330 | N | 93.3 | Very high | 91.7 | Very high | 26 Ų | 26 | 22.8 Ų | 22.8 | 14% | 0.139 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -59.8 | -50 | 176.9 | -170.4 | 46.8 | 0 | 0 | 0 | 111.6 | L326 N327 Y328 G332 I333 L396 T399 | L326-N330 WeakPolarHBondContact O-CB 3.49Å; L326-N330 PolarHBondContact O-N 3.4Å; N327-N330 WeakPolarHBondContact O-CB 3.46Å; N327-N330 PolarHBondContact O-N 3.4Å; Y328-N330 VanDerWaalsContact C-N 3.28Å; Y328-N330 PolarHBondContact O-N 3.21Å; N330-G332 PolarHBondContact O-N 2.81Å; N330-I333 VanDerWaalsContact O-CB 3.31Å; N330-I333 WeakPolarHBondContact O-CB 3.45Å; N330-I333 PolarHBondContact O-N 2.91Å; N330-L396 HydrophobicContact CB-CB 4.46Å; N330-L396 HydrophobicContact CB-CD1 3.86Å; N330-L396 WeakPolarHBondContact OD1-CA 3.38Å; N330-T399 WeakPolarHBondContact OD1-CB 3.38Å; N330-T399 WeakPolarHBondContact OD1-CG2 3.37Å; N330-T399 PolarHBondContact OD1-OG1 3.25Å; N330-T399 VanDerWaalsContact OD1-OG1 3.11Å |
| 331 | Q | 91 | Very high | 91.7 | Very high | 43 Ų | 43 | 21.2 Ų | 21.2 | 20% | 0.201 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -57.9 | -36.9 | 175.4 | -167.7 | 62 | 19.8 | 0 | 0 | 111.8 | F272 S277 N327 Y328 I333 A334 H335 | F272-Q331 HydrophobicContact CD1-CB 3.82Å; F272-Q331 HydrophobicContact CD1-CG 3.77Å; F272-Q331 HydrophobicContact CD2-CG 4.02Å; F272-Q331 HydrophobicContact CE1-CB 3.88Å; F272-Q331 HydrophobicContact CE1-CG 3.89Å; F272-Q331 HydrophobicContact CE2-CG 4.11Å; F272-Q331 HydrophobicContact CG-CB 4.37Å; F272-Q331 HydrophobicContact CG-CG 3.85Å; F272-Q331 HydrophobicContact CZ-CB 4.47Å; F272-Q331 HydrophobicContact CZ-CG 4.06Å; S277-Q331 PolarHBondContact OG-NE2 3.03Å; N327-Q331 PolarHBondContact O-N 3.09Å; Y328-Q331 PolarHBondContact O-N 3.02Å; Q331-I333 PolarHBondContact O-N 3.25Å; Q331-A334 PolarHBondContact O-N 3.06Å; Q331-H335 PolarHBondContact O-CD2 3.21Å |
| 332 | G | 90.2 | Very high | 91.7 | Very high | 1 Ų | 1 | 21.1 Ų | 21.1 | 1% | 0.01 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68 | -10.7 | 176.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | Y328 I329 N330 T338 | Y328-G332 PolarHBondContact O-N 3.28Å; Y328-G332 VanDerWaalsContact O-N 3.13Å; I329-G332 WeakPolarHBondContact O-CA 3.3Å; I329-G332 PolarHBondContact O-N 2.95Å; I329-G332 VanDerWaalsContact O-N 3.16Å; N330-G332 PolarHBondContact O-N 2.81Å; G332-T338 WeakPolarHBondContact CA-OG1 3.42Å; G332-T338 WeakPolarHBondContact O-CB 3.35Å; G332-T338 PolarHBondContact O-OG1 2.97Å |
| 333 | I | 90.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -73.5 | -34.8 | 176.6 | -68.4 | 172.6 | 0 | 0 | 0 | 111.2 | I329 N330 Q331 H335 L342 L396 T399 A400 K403 R404 | I329-I333 PolarHBondContact O-N 3.06Å; N330-I333 VanDerWaalsContact O-CB 3.31Å; N330-I333 WeakPolarHBondContact O-CB 3.45Å; N330-I333 PolarHBondContact O-N 2.91Å; Q331-I333 PolarHBondContact O-N 3.25Å; I333-H335 VanDerWaalsContact C-N 3.34Å; I333-H335 PolarHBondContact O-N 3.42Å; I333-L342 HydrophobicContact CG1-CD2 3.78Å; I333-L396 HydrophobicContact CD1-CD1 3.41Å; I333-L396 VanDerWaalsContact CD1-CD1 3.41Å; I333-L396 HydrophobicContact CG1-CD1 4.4Å; I333-T399 HydrophobicContact CB-CG2 4.22Å; I333-T399 HydrophobicContact CD1-CG2 4.47Å; I333-T399 HydrophobicContact CG2-CG2 4.07Å; I333-A400 HydrophobicContact CD1-CB 3.68Å; I333-K403 HydrophobicContact CG2-CB 4.39Å; I333-R404 HydrophobicContact CG2-CG 3.72Å; I333-R404 PolarHBondContact O-NE 3.17Å; I333-R404 PolarHBondContact O-NH2 3.43Å |
| 334 | A | 87.1 | Confident | 91.6 | Very high | 5 Ų | 5 | 29.8 Ų | 29.8 | 4% | 0.041 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -65.3 | -36.4 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q331 R404 D908 | Q331-A334 PolarHBondContact O-N 3.06Å; A334-R404 PolarHBondContact O-NH2 2.82Å; A334-D908 HydrophobicContact CB-CB 4Å; A334-D908 PolarHBondContact O-N 3.25Å |
| 335 | H | 88.6 | Confident | 91.6 | Very high | 1 Ų | 1 | 31.9 Ų | 31.9 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | S | Bend | trans | -91.5 | 129 | -174.4 | -55.4 | -78.9 | 0 | 0 | 0 | 112.7 | F272 S277 L293 Q331 I333 L337 T338 W339 R404 D907 | F272-H335 AromaticContact CE2-CD2 3.66Å; F272-H335 AromaticContact CE2-NE2 3.88Å; F272-H335 AromaticContact CZ-CD2 3.61Å; S277-H335 WeakPolarHBondContact CB-NE2 3.29Å; S277-H335 PolarHBondContact OG-NE2 3.48Å; L293-H335 HydrophobicContact CD1-CB 3.85Å; L293-H335 HydrophobicContact CD2-CB 4.16Å; Q331-H335 PolarHBondContact O-CD2 3.21Å; I333-H335 VanDerWaalsContact C-N 3.34Å; I333-H335 PolarHBondContact O-N 3.42Å; H335-L337 VanDerWaalsContact C-N 3.32Å; H335-L337 PolarHBondContact O-N 3.26Å; H335-T338 WeakPolarHBondContact CB-OG1 3.2Å; H335-T338 PolarHBondContact O-N 3.05Å; H335-T338 PolarHBondContact O-OG1 3.11Å; H335-T338 VanDerWaalsContact O-OG1 3.07Å; H335-W339 WeakPolarHBondContact O-CB 3.34Å; H335-W339 PolarHBondContact O-N 3.39Å; H335-R404 VanDerWaalsContact C-NH2 3.34Å; H335-R404 PolarHBondContact O-NH2 3.03Å; H335-D907 WeakPolarHBondContact CA-OD1 3.41Å |
| 336 | A | 87.9 | Confident | 91.5 | Very high | 12 Ų | 12 | 32.2 Ų | 32.2 | 10% | 0.099 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -57.1 | -40.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | W339 K340 D907 | A336-W339 PolarHBondContact O-N 2.86Å; A336-K340 WeakPolarHBondContact O-CB 3.49Å; A336-K340 PolarHBondContact O-N 3.1Å; A336-D907 VanDerWaalsContact CB-OD1 3.24Å; A336-D907 WeakPolarHBondContact CB-OD1 3.42Å; A336-D907 PolarHBondContact N-OD1 2.68Å |
| 337 | L | 90.3 | Very high | 91.4 | Very high | 74 Ų | 74 | 34.6 Ų | 34.6 | 39% | 0.387 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -62 | -50.2 | -179.1 | -178.8 | 67.5 | 0 | 0 | 0 | 112 | L293 V298 H335 | L293-L337 HydrophobicContact CG-CD2 4.25Å; L293-L337 VanDerWaalsContact O-CD2 3.24Å; L293-L337 WeakPolarHBondContact O-CD2 3.4Å; V298-L337 HydrophobicContact CG2-CD2 4.09Å; V298-L337 HydrophobicContact CG2-CG 3.9Å; H335-L337 VanDerWaalsContact C-N 3.32Å; H335-L337 PolarHBondContact O-N 3.26Å |
| 338 | T | 90.9 | Very high | 91.5 | Very high | 1 Ų | 1 | 33.2 Ų | 33.2 | 1% | 0.006 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -73.8 | -34 | 178 | 45.6 | 0 | 0 | 0 | 0 | 111.4 | F272 L293 A297 V298 Q301 G332 H335 K340 N341 L342 | F272-T338 HydrophobicContact CZ-CG2 4.36Å; L293-T338 HydrophobicContact CD1-CG2 4Å; A297-T338 HydrophobicContact CB-CG2 3.84Å; V298-T338 HydrophobicContact CG2-CG2 4.26Å; Q301-T338 PolarHBondContact NE2-O 3.1Å; Q301-T338 PolarHBondContact OE1-O 3.19Å; G332-T338 WeakPolarHBondContact CA-OG1 3.42Å; G332-T338 WeakPolarHBondContact O-CB 3.35Å; G332-T338 PolarHBondContact O-OG1 2.97Å; H335-T338 WeakPolarHBondContact CB-OG1 3.2Å; H335-T338 PolarHBondContact O-N 3.05Å; H335-T338 PolarHBondContact O-OG1 3.11Å; H335-T338 VanDerWaalsContact O-OG1 3.07Å; T338-K340 VanDerWaalsContact C-N 3.34Å; T338-K340 PolarHBondContact O-N 2.9Å; T338-N341 PolarHBondContact O-N 3.2Å; T338-L342 PolarHBondContact O-N 2.92Å |
| 339 | W | 92.4 | Very high | 91.5 | Very high | 6 Ų | 6 | 33.4 Ų | 33.4 | 2% | 0.023 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -61 | -41 | 174.6 | 176.1 | -119.3 | 0 | 0 | 0 | 112.2 | H335 A336 N341 L342 K343 I346 R404 V407 | H335-W339 WeakPolarHBondContact O-CB 3.34Å; H335-W339 PolarHBondContact O-N 3.39Å; A336-W339 PolarHBondContact O-N 2.86Å; W339-N341 PolarHBondContact O-N 3.49Å; W339-L342 HydrophobicContact CE3-CB 4.12Å; W339-L342 HydrophobicContact CE3-CD2 4.14Å; W339-L342 HydrophobicContact CE3-CG 4.39Å; W339-L342 HydrophobicContact CZ3-CD2 4.22Å; W339-L342 HydrophobicContact CZ3-CG 4.39Å; W339-L342 PolarHBondContact O-N 3.48Å; W339-K343 HydrophobicContact CD2-CB 4.35Å; W339-K343 HydrophobicContact CZ2-CB 4.14Å; W339-K343 HydrophobicContact CZ2-CG 3.99Å; W339-K343 VanDerWaalsContact O-CB 3.29Å; W339-K343 WeakPolarHBondContact O-CB 3.43Å; W339-K343 PolarHBondContact O-N 3.1Å; W339-I346 HydrophobicContact CH2-CB 4.24Å; W339-I346 HydrophobicContact CH2-CG1 4.2Å; W339-I346 HydrophobicContact CH2-CG2 3.85Å; W339-I346 HydrophobicContact CZ3-CB 4.23Å; W339-I346 HydrophobicContact CZ3-CG1 4.1Å; W339-I346 HydrophobicContact CZ3-CG2 4.34Å; W339-R404 HydrophobicContact CD2-CG 3.85Å; W339-R404 HydrophobicContact CE3-CG 3.95Å; W339-R404 VanDerWaalsContact CG-NE 3.35Å; W339-R404 HydrophobicContact CH2-CB 3.68Å; W339-R404 HydrophobicContact CH2-CG 3.72Å; W339-R404 HydrophobicContact CZ2-CB 3.51Å; W339-R404 HydrophobicContact CZ2-CG 3.61Å; W339-R404 HydrophobicContact CZ3-CB 4.34Å; W339-R404 HydrophobicContact CZ3-CG 3.89Å; W339-V407 HydrophobicContact CH2-CG2 3.85Å; W339-V407 HydrophobicContact CZ2-CG2 4.26Å |
| 340 | K | 91.3 | Very high | 91.5 | Very high | 152 Ų | 152 | 33.5 Ų | 33.5 | 66% | 0.661 | 18% | 0.175 | S | C | * | . | H | α-helix | trans | -57.5 | -34.3 | 178.1 | -172.4 | 173.9 | -176.6 | 168.9 | 0 | 113 | A336 T338 | A336-K340 WeakPolarHBondContact O-CB 3.49Å; A336-K340 PolarHBondContact O-N 3.1Å; T338-K340 VanDerWaalsContact C-N 3.34Å; T338-K340 PolarHBondContact O-N 2.9Å |
| 341 | N | 90.2 | Very high | 91.6 | Very high | 35 Ų | 35 | 35.1 Ų | 35.1 | 19% | 0.187 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -78.3 | -39.2 | 173 | -172.6 | -4.7 | 0 | 0 | 0 | 111.6 | V298 T338 W339 P344 H345 | V298-N341 HydrophobicContact CG1-CB 4.19Å; V298-N341 WeakPolarHBondContact CG1-ND2 3.44Å; T338-N341 PolarHBondContact O-N 3.2Å; W339-N341 PolarHBondContact O-N 3.49Å; N341-P344 VanDerWaalsContact O-CD 3.28Å; N341-P344 WeakPolarHBondContact O-CD 3.42Å; N341-P344 WeakPolarHBondContact O-CG 3.45Å; N341-H345 PolarHBondContact O-CD2 2.88Å |
| 342 | L | 92.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -71.8 | -35.9 | -178 | -166.3 | 55.5 | 0 | 0 | 0 | 114.6 | L305 I329 I333 T338 W339 P344 H345 I346 I349 | L305-L342 HydrophobicContact CD2-CD1 4.16Å; I329-L342 HydrophobicContact CD1-CD1 4.49Å; I329-L342 HydrophobicContact CG2-CD1 3.8Å; I329-L342 HydrophobicContact CG2-CD2 3.68Å; I329-L342 HydrophobicContact CG2-CG 4.4Å; I333-L342 HydrophobicContact CG1-CD2 3.78Å; T338-L342 PolarHBondContact O-N 2.92Å; W339-L342 HydrophobicContact CE3-CB 4.12Å; W339-L342 HydrophobicContact CE3-CD2 4.14Å; W339-L342 HydrophobicContact CE3-CG 4.39Å; W339-L342 HydrophobicContact CZ3-CD2 4.22Å; W339-L342 HydrophobicContact CZ3-CG 4.39Å; W339-L342 PolarHBondContact O-N 3.48Å; L342-P344 VanDerWaalsContact C-CD 3.5Å; L342-H345 CarbonylContact O-C 3.58Å; L342-H345 WeakPolarHBondContact O-CA 3.27Å; L342-H345 PolarHBondContact O-N 3.31Å; L342-I346 HydrophobicContact CD2-CD1 4.29Å; L342-I346 HydrophobicContact CG-CB 4.48Å; L342-I346 HydrophobicContact CG-CD1 4.37Å; L342-I346 PolarHBondContact O-N 3.24Å; L342-I349 HydrophobicContact CD1-CD1 3.68Å |
| 343 | K | 91.9 | Very high | 91.8 | Very high | 102 Ų | 102 | 36 Ų | 36 | 44% | 0.443 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -47.6 | -44.7 | -173.5 | -174 | 177.2 | -171.7 | 173.9 | 0 | 115.1 | W339 H345 I346 S904 | W339-K343 HydrophobicContact CD2-CB 4.35Å; W339-K343 HydrophobicContact CZ2-CB 4.14Å; W339-K343 HydrophobicContact CZ2-CG 3.99Å; W339-K343 VanDerWaalsContact O-CB 3.29Å; W339-K343 WeakPolarHBondContact O-CB 3.43Å; W339-K343 PolarHBondContact O-N 3.1Å; K343-H345 PolarHBondContact O-N 3.38Å; K343-I346 WeakPolarHBondContact O-CG2 3.4Å; K343-S904 PolarHBondContact NZ-OG 2.91Å; K343-S904 VanDerWaalsContact NZ-OG 3.11Å |
| 344 | P | 92.2 | Very high | 92 | Very high | 93 Ų | 93 | 36 Ų | 36 | 60% | 0.604 | 19% | 0.188 | S | C | * | . | H | α-helix | trans | -68.1 | -21.1 | 175.8 | 25.5 | -35.9 | 0 | 0 | 0 | 114.2 | N341 L342 | N341-P344 VanDerWaalsContact O-CD 3.28Å; N341-P344 WeakPolarHBondContact O-CD 3.42Å; N341-P344 WeakPolarHBondContact O-CG 3.45Å; L342-P344 VanDerWaalsContact C-CD 3.5Å |
| 345 | H | 92.8 | Very high | 92.4 | Very high | 58 Ų | 58 | 36.4 Ų | 36.4 | 27% | 0.269 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -100.9 | -25.8 | -174.4 | -60.1 | -63 | 0 | 0 | 0 | 113.4 | L305 Y309 N341 L342 K343 Q347 G348 I349 | L305-H345 HydrophobicContact CD2-CB 4.33Å; Y309-H345 PolarHBondContact OH-CE1 2.9Å; Y309-H345 PolarHBondContact OH-ND1 3.25Å; N341-H345 PolarHBondContact O-CD2 2.88Å; L342-H345 CarbonylContact O-C 3.58Å; L342-H345 WeakPolarHBondContact O-CA 3.27Å; L342-H345 PolarHBondContact O-N 3.31Å; K343-H345 PolarHBondContact O-N 3.38Å; H345-Q347 VanDerWaalsContact C-N 3.28Å; H345-Q347 PolarHBondContact O-N 3.17Å; H345-Q347 VanDerWaalsContact O-N 3.16Å; H345-G348 WeakPolarHBondContact O-CA 3.2Å; H345-G348 PolarHBondContact O-N 3.48Å; H345-I349 HydrophobicContact CB-CD1 4.12Å; H345-I349 WeakPolarHBondContact O-CG1 3.45Å; H345-I349 PolarHBondContact O-N 2.73Å |
| 346 | I | 93.4 | Very high | 92.6 | Very high | 7 Ų | 7 | 38.8 Ų | 38.8 | 4% | 0.036 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -54.1 | -40.3 | -172.4 | -166.3 | 60.3 | 0 | 0 | 0 | 113.5 | W339 L342 K343 G348 I349 I350 A400 | W339-I346 HydrophobicContact CH2-CB 4.24Å; W339-I346 HydrophobicContact CH2-CG1 4.2Å; W339-I346 HydrophobicContact CH2-CG2 3.85Å; W339-I346 HydrophobicContact CZ3-CB 4.23Å; W339-I346 HydrophobicContact CZ3-CG1 4.1Å; W339-I346 HydrophobicContact CZ3-CG2 4.34Å; L342-I346 HydrophobicContact CD2-CD1 4.29Å; L342-I346 HydrophobicContact CG-CB 4.48Å; L342-I346 HydrophobicContact CG-CD1 4.37Å; L342-I346 PolarHBondContact O-N 3.24Å; K343-I346 WeakPolarHBondContact O-CG2 3.4Å; I346-G348 VanDerWaalsContact C-N 3.34Å; I346-G348 PolarHBondContact O-N 3.43Å; I346-I349 PolarHBondContact O-N 3Å; I346-I350 HydrophobicContact CD1-CD1 4.48Å; I346-I350 HydrophobicContact CG1-CD1 4.03Å; I346-I350 HydrophobicContact CG1-CG1 4.49Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.15Å; I346-I350 PolarHBondContact O-N 2.93Å; I346-A400 HydrophobicContact CD1-CB 4.31Å; I346-A400 HydrophobicContact CG1-CB 4.43Å |
| 347 | Q | 92.3 | Very high | 92.8 | Very high | 50 Ų | 50 | 39.1 Ų | 39.1 | 23% | 0.234 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -60.5 | -44.3 | 177.3 | -172.4 | 79.5 | 37.6 | 0 | 0 | 111.8 | H345 I350 Q351 | H345-Q347 VanDerWaalsContact C-N 3.28Å; H345-Q347 PolarHBondContact O-N 3.17Å; H345-Q347 VanDerWaalsContact O-N 3.16Å; Q347-I350 PolarHBondContact O-N 3.47Å; Q347-Q351 WeakPolarHBondContact O-CG 3.43Å; Q347-Q351 PolarHBondContact O-N 3.36Å; Q347-Q351 VanDerWaalsContact O-N 3.09Å |
| 348 | G | 93.1 | Very high | 92.9 | Very high | 27 Ų | 27 | 35.7 Ų | 35.7 | 28% | 0.278 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -70.7 | -36.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | H345 I346 Q351 D352 | H345-G348 WeakPolarHBondContact O-CA 3.2Å; H345-G348 PolarHBondContact O-N 3.48Å; I346-G348 VanDerWaalsContact C-N 3.34Å; I346-G348 PolarHBondContact O-N 3.43Å; G348-Q351 PolarHBondContact O-N 3.44Å; G348-D352 WeakPolarHBondContact O-CA 3.35Å; G348-D352 WeakPolarHBondContact O-CB 3.32Å; G348-D352 PolarHBondContact O-N 2.82Å |
| 349 | I | 94.9 | Very high | 93 | Very high | 8 Ų | 8 | 36.5 Ų | 36.5 | 4% | 0.041 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -61.8 | -45.8 | 174.1 | -64 | 167.2 | 0 | 0 | 0 | 110 | L305 L308 L342 H345 I346 Q351 V353 V354 L396 | L305-I349 HydrophobicContact CD2-CD1 3.65Å; L308-I349 HydrophobicContact CD1-CD1 4.15Å; L308-I349 HydrophobicContact CD1-CG1 4.23Å; L308-I349 HydrophobicContact CD1-CG2 4.13Å; L342-I349 HydrophobicContact CD1-CD1 3.68Å; H345-I349 HydrophobicContact CB-CD1 4.12Å; H345-I349 WeakPolarHBondContact O-CG1 3.45Å; H345-I349 PolarHBondContact O-N 2.73Å; I346-I349 PolarHBondContact O-N 3Å; I349-Q351 PolarHBondContact O-N 3.45Å; I349-V353 HydrophobicContact CG2-CB 4.38Å; I349-V353 WeakPolarHBondContact O-CA 3.32Å; I349-V353 VanDerWaalsContact O-CB 3.28Å; I349-V353 WeakPolarHBondContact O-CB 3.38Å; I349-V353 PolarHBondContact O-N 3.22Å; I349-V354 HydrophobicContact CG2-CG2 4.31Å; I349-V354 PolarHBondContact O-N 2.97Å; I349-L396 HydrophobicContact CG2-CD2 4.2Å |
| 350 | I | 95.3 | Very high | 92.9 | Very high | 2 Ų | 2 | 36.8 Ų | 36.8 | 1% | 0.01 | 19% | 0.193 | C | C | . | . | I | π-helix | trans | -60.9 | -46.5 | 178.2 | -70 | 169.6 | 0 | 0 | 0 | 110.9 | I346 Q347 F355 L397 V407 T411 M435 | I346-I350 HydrophobicContact CD1-CD1 4.48Å; I346-I350 HydrophobicContact CG1-CD1 4.03Å; I346-I350 HydrophobicContact CG1-CG1 4.49Å; I346-I350 VanDerWaalsContact O-CG1 3.3Å; I346-I350 WeakPolarHBondContact O-CG1 3.15Å; I346-I350 PolarHBondContact O-N 2.93Å; Q347-I350 PolarHBondContact O-N 3.47Å; I350-F355 VanDerWaalsContact O-CB 3.32Å; I350-F355 WeakPolarHBondContact O-CB 3.35Å; I350-F355 PolarHBondContact O-N 3.44Å; I350-L397 HydrophobicContact CD1-CD1 4.46Å; I350-L397 HydrophobicContact CG1-CD1 4.5Å; I350-L397 HydrophobicContact CG2-CD1 4.21Å; I350-V407 HydrophobicContact CD1-CG1 3.58Å; I350-T411 HydrophobicContact CG2-CG2 4.21Å; I350-M435 HydrophobicContact CG2-CE 3.53Å |
| 351 | Q | 94.1 | Very high | 92.9 | Very high | 61 Ų | 61 | 31.8 Ų | 31.8 | 29% | 0.285 | 18% | 0.175 | S | C | . | . | I | π-helix | trans | -78.2 | -37.4 | -174.6 | -70.3 | 178.1 | -6.6 | 0 | 0 | 114.4 | Q347 G348 I349 F414 | Q347-Q351 WeakPolarHBondContact O-CG 3.43Å; Q347-Q351 PolarHBondContact O-N 3.36Å; Q347-Q351 VanDerWaalsContact O-N 3.09Å; G348-Q351 PolarHBondContact O-N 3.44Å; I349-Q351 PolarHBondContact O-N 3.45Å; Q351-F414 HydrophobicContact CB-CE2 4.4Å; Q351-F414 HydrophobicContact CB-CZ 4.29Å; Q351-F414 HydrophobicContact CG-CD1 4.23Å; Q351-F414 HydrophobicContact CG-CD2 3.95Å; Q351-F414 HydrophobicContact CG-CE1 4.22Å; Q351-F414 HydrophobicContact CG-CE2 3.94Å; Q351-F414 HydrophobicContact CG-CG 4.07Å; Q351-F414 HydrophobicContact CG-CZ 4.06Å |
| 352 | D | 92.6 | Very high | 92.9 | Very high | 57 Ų | 57 | 35.5 Ų | 35.5 | 31% | 0.305 | 20% | 0.195 | S | C | . | . | I | π-helix | trans | -105.5 | -12.4 | -169.3 | -58 | -55.9 | 0 | 0 | 0 | 113.6 | K312 G348 | K312-D352 HydrophobicContact CD-CB 3.6Å; K312-D352 VanDerWaalsContact CE-CG 3.48Å; K312-D352 VanDerWaalsContact CE-OD2 3.25Å; K312-D352 WeakPolarHBondContact CE-OD2 3.45Å; K312-D352 HydrophobicContact CG-CB 3.9Å; K312-D352 IonicContact NZ-OD1 2.59Å; K312-D352 IonicContact NZ-OD2 3.85Å; K312-D352 PolarHBondContact NZ-OD2 3.2Å; G348-D352 WeakPolarHBondContact O-CA 3.35Å; G348-D352 WeakPolarHBondContact O-CB 3.32Å; G348-D352 PolarHBondContact O-N 2.82Å |
| 353 | V | 93.9 | Very high | 92.6 | Very high | 4 Ų | 4 | 39.2 Ų | 39.2 | 2% | 0.024 | 22% | 0.221 | C | C | . | . | I | π-helix | trans | -122.8 | -59.7 | -179.3 | -179.4 | 0 | 0 | 0 | 0 | 111 | L308 Y311 L326 I349 P356 L357 | L308-V353 HydrophobicContact CB-CG2 4.3Å; L308-V353 HydrophobicContact CD2-CG1 4.2Å; Y311-V353 HydrophobicContact CD1-CB 4.45Å; Y311-V353 HydrophobicContact CD1-CG1 3.89Å; Y311-V353 HydrophobicContact CD1-CG2 4.43Å; Y311-V353 HydrophobicContact CE1-CG1 4.23Å; L326-V353 HydrophobicContact CD2-CG1 4.36Å; I349-V353 HydrophobicContact CG2-CB 4.38Å; I349-V353 WeakPolarHBondContact O-CA 3.32Å; I349-V353 VanDerWaalsContact O-CB 3.28Å; I349-V353 WeakPolarHBondContact O-CB 3.38Å; I349-V353 PolarHBondContact O-N 3.22Å; V353-P356 WeakPolarHBondContact O-CD 3.38Å; V353-L357 HydrophobicContact CG1-CD1 4.21Å; V353-L357 WeakPolarHBondContact O-CD1 3.39Å; V353-L357 VanDerWaalsContact O-CG 3.31Å; V353-L357 WeakPolarHBondContact O-CG 3.47Å; V353-L357 PolarHBondContact O-N 3.41Å |
| 354 | V | 95.2 | Very high | 92.5 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 21% | 0.212 | C | C | . | . | I | π-helix | trans | -65.1 | -50.7 | -177.2 | 171.5 | 0 | 0 | 0 | 0 | 110.9 | I349 L357 M358 A393 L396 L397 | I349-V354 HydrophobicContact CG2-CG2 4.31Å; I349-V354 PolarHBondContact O-N 2.97Å; V354-L357 WeakPolarHBondContact O-CB 3.48Å; V354-L357 PolarHBondContact O-N 2.96Å; V354-L357 VanDerWaalsContact O-N 3.1Å; V354-M358 HydrophobicContact CG1-CG 4.36Å; V354-M358 HydrophobicContact CG1-SD 3.78Å; V354-M358 WeakPolarHBondContact O-CG 3.48Å; V354-M358 PolarHBondContact O-N 3.18Å; V354-A393 HydrophobicContact CB-CB 4.38Å; V354-A393 HydrophobicContact CG1-CB 4.06Å; V354-A393 HydrophobicContact CG2-CB 4.28Å; V354-L396 HydrophobicContact CG2-CD2 4.04Å; V354-L397 HydrophobicContact CG1-CB 4.15Å |
| 355 | F | 95.3 | Very high | 92.5 | Very high | 15 Ų | 15 | 34.3 Ų | 34.3 | 7% | 0.066 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -59 | -46.8 | -177.5 | 172.6 | -105.4 | 0 | 0 | 0 | 113.3 | I350 L357 M358 C359 F414 I418 K428 A432 M435 | I350-F355 VanDerWaalsContact O-CB 3.32Å; I350-F355 WeakPolarHBondContact O-CB 3.35Å; I350-F355 PolarHBondContact O-N 3.44Å; F355-L357 VanDerWaalsContact C-N 3.32Å; F355-L357 PolarHBondContact O-N 3.11Å; F355-M358 PolarHBondContact O-N 3.48Å; F355-M358 VanDerWaalsContact O-N 3.16Å; F355-C359 PolarHBondContact O-N 3.05Å; F355-C359 PolarHBondContact O-SG 3.49Å; F355-F414 HydrophobicContact CB-CE1 4.08Å; F355-F414 HydrophobicContact CD1-CE1 4.03Å; F355-F414 AromaticContact CD1-CZ 3.87Å; F355-F414 HydrophobicContact CD1-CZ 3.87Å; F355-F414 AromaticContact CD2-CE1 3.84Å; F355-F414 HydrophobicContact CD2-CE1 3.84Å; F355-F414 HydrophobicContact CD2-CZ 4.47Å; F355-F414 HydrophobicContact CE1-CE1 4.45Å; F355-F414 HydrophobicContact CE1-CZ 4.17Å; F355-F414 HydrophobicContact CE2-CE1 4.23Å; F355-F414 AromaticContact CG-CE1 3.71Å; F355-F414 HydrophobicContact CG-CE1 3.71Å; F355-F414 HydrophobicContact CG-CZ 4.03Å; F355-I418 HydrophobicContact CE1-CD1 3.89Å; F355-I418 HydrophobicContact CE2-CD1 3.82Å; F355-I418 HydrophobicContact CZ-CD1 3.39Å; F355-K428 HydrophobicContact CE1-CG 4.33Å; F355-K428 HydrophobicContact CZ-CB 4.01Å; F355-K428 HydrophobicContact CZ-CG 4.29Å; F355-K428 WeakPolarHBondContact CZ-O 3.47Å; F355-A432 HydrophobicContact CE2-CB 4.21Å; F355-M435 HydrophobicContact CB-SD 3.95Å; F355-M435 HydrophobicContact CD2-CG 4.42Å; F355-M435 HydrophobicContact CD2-SD 3.52Å; F355-M435 VanDerWaalsContact CD2-SD 3.52Å; F355-M435 HydrophobicContact CE2-SD 4.49Å; F355-M435 HydrophobicContact CG-SD 4.2Å |
| 356 | P | 93.1 | Very high | 92.4 | Very high | 51 Ų | 51 | 37 Ų | 37 | 33% | 0.331 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -59.6 | -35.8 | 173.1 | -27.9 | 36.5 | 0 | 0 | 0 | 114.8 | V353 M358 C359 | V353-P356 WeakPolarHBondContact O-CD 3.38Å; P356-M358 VanDerWaalsContact C-N 3.27Å; P356-M358 PolarHBondContact O-N 2.98Å; P356-C359 PolarHBondContact O-N 3.44Å |
| 357 | L | 92.1 | Very high | 92.3 | Very high | 18 Ų | 18 | 38.7 Ų | 38.7 | 9% | 0.094 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -67.4 | -29.4 | 175.9 | -72.7 | 168.3 | 0 | 0 | 0 | 112.5 | Y311 L322 L326 V353 V354 F355 P389 T390 A393 | Y311-L357 HydrophobicContact CE1-CD2 4.27Å; Y311-L357 HydrophobicContact CE1-CG 4.11Å; Y311-L357 WeakPolarHBondContact OH-CD2 3.46Å; L322-L357 HydrophobicContact CD2-CD1 4Å; L322-L357 HydrophobicContact CD2-CD2 3.86Å; L322-L357 HydrophobicContact CD2-CG 4.47Å; L322-L357 HydrophobicContact CG-CD1 4.48Å; L326-L357 HydrophobicContact CD1-CD1 3.88Å; V353-L357 HydrophobicContact CG1-CD1 4.21Å; V353-L357 WeakPolarHBondContact O-CD1 3.39Å; V353-L357 VanDerWaalsContact O-CG 3.31Å; V353-L357 WeakPolarHBondContact O-CG 3.47Å; V353-L357 PolarHBondContact O-N 3.41Å; V354-L357 WeakPolarHBondContact O-CB 3.48Å; V354-L357 PolarHBondContact O-N 2.96Å; V354-L357 VanDerWaalsContact O-N 3.1Å; F355-L357 VanDerWaalsContact C-N 3.32Å; F355-L357 PolarHBondContact O-N 3.11Å; L357-P389 HydrophobicContact CD2-CB 4.15Å; L357-T390 PolarHBondContact O-OG1 2.98Å; L357-A393 HydrophobicContact CB-CB 4.24Å; L357-A393 HydrophobicContact CD1-CB 3.93Å |
| 358 | M | 91.8 | Very high | 92.3 | Very high | 2 Ų | 2 | 37 Ų | 37 | 1% | 0.01 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -87.3 | -7.6 | 178.9 | -64.9 | -175 | 78.3 | 0 | 0 | 113.6 | V354 F355 P356 Q394 L397 G431 H434 M435 S438 | V354-M358 HydrophobicContact CG1-CG 4.36Å; V354-M358 HydrophobicContact CG1-SD 3.78Å; V354-M358 WeakPolarHBondContact O-CG 3.48Å; V354-M358 PolarHBondContact O-N 3.18Å; F355-M358 PolarHBondContact O-N 3.48Å; F355-M358 VanDerWaalsContact O-N 3.16Å; P356-M358 VanDerWaalsContact C-N 3.27Å; P356-M358 PolarHBondContact O-N 2.98Å; M358-Q394 HydrophobicContact CE-CB 4.36Å; M358-L397 HydrophobicContact CE-CD2 4.25Å; M358-L397 HydrophobicContact SD-CD2 3.81Å; M358-G431 WeakPolarHBondContact O-CA 3.49Å; M358-H434 HydrophobicContact CB-CB 4.46Å; M358-H434 HydrophobicContact CE-CB 4.2Å; M358-H434 PolarHBondContact O-ND1 3.4Å; M358-M435 HydrophobicContact CE-CG 4.1Å; M358-M435 HydrophobicContact SD-CB 4.5Å; M358-M435 HydrophobicContact SD-CG 3.55Å; M358-M435 VanDerWaalsContact SD-CG 3.55Å; M358-S438 VanDerWaalsContact CE-OG 3.26Å; M358-S438 WeakPolarHBondContact CE-OG 3.46Å |
| 359 | C | 93.4 | Very high | 92.2 | Very high | 18 Ų | 18 | 42.3 Ų | 42.3 | 12% | 0.122 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -83.6 | 144.3 | 176.3 | -66.9 | 0 | 0 | 0 | 0 | 110.8 | F355 P356 T361 | F355-C359 PolarHBondContact O-N 3.05Å; F355-C359 PolarHBondContact O-SG 3.49Å; P356-C359 PolarHBondContact O-N 3.44Å; C359-T361 WeakPolarHBondContact O-CG2 3.29Å; C359-T361 PolarHBondContact O-N 3.36Å |
| 360 | Y | 90.9 | Very high | 92.2 | Very high | 13 Ų | 13 | 49.1 Ų | 49.1 | 5% | 0.051 | 26% | 0.255 | C | S | . | . | P | Polyproline II helix | trans | -51.7 | 127.2 | 167.9 | -163.4 | -98.3 | 0 | 0 | 0 | 113 | D364 E365 W368 R427 D430 Y471 | Y360-D364 HydrophobicContact CD1-CB 4.35Å; Y360-D364 HydrophobicContact CD2-CB 3.79Å; Y360-D364 HydrophobicContact CE1-CB 4.08Å; Y360-D364 HydrophobicContact CE2-CB 3.49Å; Y360-D364 VanDerWaalsContact CE2-CB 3.49Å; Y360-D364 HydrophobicContact CG-CB 4.23Å; Y360-D364 PolarHBondContact OH-O 3.4Å; Y360-E365 HydrophobicContact CE1-CB 3.79Å; Y360-E365 VanDerWaalsContact CE1-OE2 3.27Å; Y360-E365 WeakPolarHBondContact CE1-OE2 3.49Å; Y360-E365 WeakPolarHBondContact OH-CA 3.34Å; Y360-E365 PolarHBondContact OH-N 3.43Å; Y360-W368 HydrophobicContact CE2-CE3 4.43Å; Y360-W368 WeakPolarHBondContact OH-CB 3.4Å; Y360-R427 HydrophobicContact CD1-CG 4.48Å; Y360-R427 WeakPolarHBondContact O-CD 3.43Å; Y360-D430 PolarHBondContact N-OD2 3.12Å; Y360-Y471 HydrophobicContact CD1-CD1 4.27Å; Y360-Y471 HydrophobicContact CD1-CD2 4.19Å; Y360-Y471 HydrophobicContact CD1-CE1 4.37Å; Y360-Y471 HydrophobicContact CD1-CE2 4.28Å; Y360-Y471 HydrophobicContact CD1-CG 4.18Å; Y360-Y471 AromaticContact CD2-CD2 3.95Å; Y360-Y471 HydrophobicContact CD2-CD2 3.95Å; Y360-Y471 AromaticContact CD2-CG 3.97Å; Y360-Y471 HydrophobicContact CD2-CG 3.97Å; Y360-Y471 AromaticContact CE1-CD1 3.99Å; Y360-Y471 HydrophobicContact CE1-CD1 3.99Å; Y360-Y471 HydrophobicContact CE1-CE1 4.34Å; Y360-Y471 HydrophobicContact CE1-CG 4.12Å; Y360-Y471 HydrophobicContact CE2-CD1 4.49Å; Y360-Y471 HydrophobicContact CE2-CD2 4.37Å; Y360-Y471 AromaticContact CE2-CG 3.91Å; Y360-Y471 HydrophobicContact CE2-CG 3.91Å; Y360-Y471 AromaticContact CG-CD2 3.82Å; Y360-Y471 HydrophobicContact CG-CD2 3.82Å; Y360-Y471 HydrophobicContact CG-CE2 4.15Å; Y360-Y471 HydrophobicContact CG-CG 4.08Å; Y360-Y471 AromaticContact CZ-CG 3.97Å |
| 361 | T | 90.5 | Very high | 92 | Very high | 46 Ų | 46 | 52.5 Ų | 52.5 | 28% | 0.282 | 27% | 0.273 | S | S | . | . | P | Polyproline II helix | trans | -102.3 | 173.9 | -172.4 | 66.7 | 0 | 0 | 0 | 0 | 112.8 | C359 S363 D364 E365 | C359-T361 WeakPolarHBondContact O-CG2 3.29Å; C359-T361 PolarHBondContact O-N 3.36Å; T361-S363 PolarHBondContact OG1-OG 3.1Å; T361-D364 WeakPolarHBondContact CB-OD2 3.34Å; T361-D364 PolarHBondContact N-OD2 3.14Å; T361-D364 PolarHBondContact OG1-N 3.4Å; T361-D364 VanDerWaalsContact OG1-N 3.16Å; T361-D364 PolarHBondContact OG1-OD2 3.13Å; T361-E365 PolarHBondContact O-N 3.39Å |
| 362 | D | 89.6 | Confident | 91.8 | Very high | 114 Ų | 114 | 51.3 Ų | 51.3 | 61% | 0.61 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -71.3 | -33.1 | 173.3 | -71.3 | -42.3 | 0 | 0 | 0 | 112 | D364 E365 E366 R427 | D362-D364 VanDerWaalsContact C-N 3.34Å; D362-E365 WeakPolarHBondContact O-CB 3.46Å; D362-E365 PolarHBondContact O-N 3.03Å; D362-E366 PolarHBondContact O-N 3.02Å; D362-R427 IonicContact OD1-CZ 2.87Å; D362-R427 IonicContact OD1-NH1 3.66Å; D362-R427 PolarHBondContact OD1-NH1 2.93Å; D362-R427 IonicContact OD1-NH2 2.92Å; D362-R427 PolarHBondContact OD1-NH2 3.35Å; D362-R427 IonicContact OD2-NH1 2.64Å |
| 363 | S | 86.3 | Confident | 91.6 | Very high | 77 Ų | 77 | 52.2 Ų | 52.2 | 54% | 0.538 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -66.2 | -37.1 | 173.3 | 44.4 | 0 | 0 | 0 | 0 | 111.9 | T361 E365 E366 L367 | T361-S363 PolarHBondContact OG1-OG 3.1Å; S363-E365 VanDerWaalsContact C-N 3.33Å; S363-E366 PolarHBondContact O-N 3.33Å; S363-L367 WeakPolarHBondContact O-CB 3.42Å; S363-L367 PolarHBondContact O-N 2.77Å |
| 364 | D | 89.9 | Confident | 91.3 | Very high | 48 Ų | 48 | 55.7 Ų | 55.7 | 26% | 0.257 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -64 | -40.5 | 173.4 | -58.5 | -41 | 0 | 0 | 0 | 111.1 | Y360 T361 D362 W368 Y375 | Y360-D364 HydrophobicContact CD1-CB 4.35Å; Y360-D364 HydrophobicContact CD2-CB 3.79Å; Y360-D364 HydrophobicContact CE1-CB 4.08Å; Y360-D364 HydrophobicContact CE2-CB 3.49Å; Y360-D364 VanDerWaalsContact CE2-CB 3.49Å; Y360-D364 HydrophobicContact CG-CB 4.23Å; Y360-D364 PolarHBondContact OH-O 3.4Å; T361-D364 WeakPolarHBondContact CB-OD2 3.34Å; T361-D364 PolarHBondContact N-OD2 3.14Å; T361-D364 PolarHBondContact OG1-N 3.4Å; T361-D364 VanDerWaalsContact OG1-N 3.16Å; T361-D364 PolarHBondContact OG1-OD2 3.13Å; D362-D364 VanDerWaalsContact C-N 3.34Å; D364-W368 WeakPolarHBondContact O-CB 3.34Å; D364-W368 PolarHBondContact O-N 3.07Å; D364-Y375 HydrophobicContact CB-CE2 4.23Å |
| 365 | E | 92.1 | Very high | 91 | Very high | 45 Ų | 45 | 56.8 Ų | 56.8 | 21% | 0.21 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -63.3 | -43.6 | 176.5 | -171.7 | 74.6 | -140.6 | 0 | 0 | 112.3 | Y360 T361 D362 S363 W368 Q369 | Y360-E365 HydrophobicContact CE1-CB 3.79Å; Y360-E365 VanDerWaalsContact CE1-OE2 3.27Å; Y360-E365 WeakPolarHBondContact CE1-OE2 3.49Å; Y360-E365 WeakPolarHBondContact OH-CA 3.34Å; Y360-E365 PolarHBondContact OH-N 3.43Å; T361-E365 PolarHBondContact O-N 3.39Å; D362-E365 WeakPolarHBondContact O-CB 3.46Å; D362-E365 PolarHBondContact O-N 3.03Å; S363-E365 VanDerWaalsContact C-N 3.33Å; E365-W368 PolarHBondContact O-N 2.84Å; E365-Q369 WeakPolarHBondContact O-CB 3.36Å; E365-Q369 VanDerWaalsContact O-CG 3.31Å; E365-Q369 WeakPolarHBondContact O-CG 2.89Å; E365-Q369 PolarHBondContact O-N 2.96Å; E365-Q369 PolarHBondContact OE1-NE2 3.1Å |
| 366 | E | 91.5 | Very high | 90.6 | Very high | 114 Ų | 114 | 56.2 Ų | 56.2 | 53% | 0.533 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.6 | -50.7 | 177.7 | -173.3 | 166.8 | -157.5 | 0 | 0 | 110.5 | D362 S363 W368 Q369 E370 | D362-E366 PolarHBondContact O-N 3.02Å; S363-E366 PolarHBondContact O-N 3.33Å; E366-W368 PolarHBondContact O-N 3.12Å; E366-Q369 PolarHBondContact O-N 2.94Å; E366-E370 HydrophobicContact CG-CG 4.43Å; E366-E370 WeakPolarHBondContact O-CB 3.49Å; E366-E370 WeakPolarHBondContact O-CG 3.48Å; E366-E370 PolarHBondContact O-N 3.41Å |
| 367 | L | 89.6 | Confident | 90.2 | Very high | 43 Ų | 43 | 58.9 Ų | 58.9 | 23% | 0.225 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.7 | -43.3 | 178.5 | -168.9 | 62 | 0 | 0 | 0 | 111.9 | S363 Q369 E370 D371 E374 Y375 M378 | S363-L367 WeakPolarHBondContact O-CB 3.42Å; S363-L367 PolarHBondContact O-N 2.77Å; L367-Q369 VanDerWaalsContact C-N 3.27Å; L367-Q369 PolarHBondContact O-N 3.42Å; L367-E370 PolarHBondContact O-N 2.98Å; L367-D371 CarbonylContact O-C 3.52Å; L367-D371 WeakPolarHBondContact O-CA 3.24Å; L367-D371 PolarHBondContact O-N 3.08Å; L367-E374 HydrophobicContact CD1-CB 4.03Å; L367-E374 HydrophobicContact CD1-CG 3.94Å; L367-Y375 HydrophobicContact CB-CD2 4.46Å; L367-Y375 HydrophobicContact CD2-CD2 4.17Å; L367-Y375 HydrophobicContact CG-CD2 4.41Å; L367-M378 HydrophobicContact CD2-CG 4.49Å; L367-M378 HydrophobicContact CD2-SD 3.58Å; L367-M378 VanDerWaalsContact CD2-SD 3.58Å |
| 368 | W | 93 | Very high | 89.7 | Confident | 14 Ų | 14 | 62 Ų | 62 | 5% | 0.053 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -59.6 | -36.1 | 177.4 | -174.4 | -73.9 | 0 | 0 | 0 | 113 | Y360 D364 E365 E366 Y375 A474 E510 P512 V513 | Y360-W368 HydrophobicContact CE2-CE3 4.43Å; Y360-W368 WeakPolarHBondContact OH-CB 3.4Å; D364-W368 WeakPolarHBondContact O-CB 3.34Å; D364-W368 PolarHBondContact O-N 3.07Å; E365-W368 PolarHBondContact O-N 2.84Å; E366-W368 PolarHBondContact O-N 3.12Å; W368-Y375 AromaticContact CE3-CD1 3.71Å; W368-Y375 HydrophobicContact CE3-CD1 3.71Å; W368-Y375 HydrophobicContact CE3-CD2 4.25Å; W368-Y375 AromaticContact CE3-CE1 3.47Å; W368-Y375 HydrophobicContact CE3-CE1 3.47Å; W368-Y375 VanDerWaalsContact CE3-CE1 3.47Å; W368-Y375 HydrophobicContact CE3-CE2 4.04Å; W368-Y375 HydrophobicContact CE3-CG 4.11Å; W368-Y375 AromaticContact CE3-CZ 3.65Å; W368-Y375 AromaticContact CZ3-CD1 3.97Å; W368-Y375 HydrophobicContact CZ3-CD1 3.97Å; W368-Y375 AromaticContact CZ3-CE1 3.43Å; W368-Y375 HydrophobicContact CZ3-CE1 3.43Å; W368-Y375 VanDerWaalsContact CZ3-CE1 3.43Å; W368-Y375 AromaticContact CZ3-CZ 3.84Å; W368-A474 HydrophobicContact CH2-CB 3.87Å; W368-A474 HydrophobicContact CZ3-CB 4.45Å; W368-E510 HydrophobicContact CZ2-CB 4.36Å; W368-E510 PolarHBondContact NE1-OE1 2.8Å; W368-P512 HydrophobicContact CD2-CG 4.3Å; W368-P512 HydrophobicContact CE3-CB 4.18Å; W368-P512 HydrophobicContact CE3-CG 4.11Å; W368-P512 HydrophobicContact CH2-CB 3.48Å; W368-P512 VanDerWaalsContact CH2-CB 3.48Å; W368-P512 HydrophobicContact CH2-CG 3.94Å; W368-P512 HydrophobicContact CZ2-CB 4.09Å; W368-P512 HydrophobicContact CZ2-CG 4.09Å; W368-P512 HydrophobicContact CZ3-CB 3.53Å; W368-P512 HydrophobicContact CZ3-CG 3.94Å; W368-V513 HydrophobicContact CH2-CG2 4.14Å; W368-V513 HydrophobicContact CZ2-CG2 4.02Å |
| 369 | Q | 92 | Very high | 89.2 | Confident | 138 Ų | 138 | 65 Ų | 65 | 65% | 0.645 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -85 | -38.4 | -179 | -71.3 | -174.6 | 11.5 | 0 | 0 | 113.4 | E365 E366 L367 | E365-Q369 WeakPolarHBondContact O-CB 3.36Å; E365-Q369 VanDerWaalsContact O-CG 3.31Å; E365-Q369 WeakPolarHBondContact O-CG 2.89Å; E365-Q369 PolarHBondContact O-N 2.96Å; E365-Q369 PolarHBondContact OE1-NE2 3.1Å; E366-Q369 PolarHBondContact O-N 2.94Å; L367-Q369 VanDerWaalsContact C-N 3.27Å; L367-Q369 PolarHBondContact O-N 3.42Å |
| 370 | E | 93.3 | Very high | 88.4 | Confident | 152 Ų | 152 | 66.6 Ų | 66.6 | 71% | 0.71 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -84.1 | -45.6 | -175.8 | -65.1 | -163.1 | 160.9 | 0 | 0 | 112.3 | E366 L367 | E366-E370 HydrophobicContact CG-CG 4.43Å; E366-E370 WeakPolarHBondContact O-CB 3.49Å; E366-E370 WeakPolarHBondContact O-CG 3.48Å; E366-E370 PolarHBondContact O-N 3.41Å; L367-E370 PolarHBondContact O-N 2.98Å |
| 371 | D | 92 | Very high | 87.6 | Confident | 72 Ų | 72 | 68.4 Ų | 68.4 | 39% | 0.385 | 34% | 0.336 | S | S | . | . | trans | -145 | 83.4 | -179.6 | -161.9 | -24.4 | 0 | 0 | 0 | 112.1 | L367 Y373 E374 Y375 | L367-D371 CarbonylContact O-C 3.52Å; L367-D371 WeakPolarHBondContact O-CA 3.24Å; L367-D371 PolarHBondContact O-N 3.08Å; D371-Y373 PolarHBondContact O-N 3.37Å; D371-Y373 PolarHBondContact OD1-N 3.44Å; D371-Y373 VanDerWaalsContact OD1-N 3.15Å; D371-E374 HydrophobicContact CB-CB 3.97Å; D371-E374 PolarHBondContact O-N 2.84Å; D371-E374 PolarHBondContact OD1-N 2.88Å; D371-E374 VanDerWaalsContact OD1-N 3.09Å; D371-Y375 PolarHBondContact O-N 2.95Å | ||
| 372 | P | 90.6 | Very high | 86.5 | Confident | 36 Ų | 36 | 70.8 Ų | 70.8 | 23% | 0.234 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.8 | -17.6 | 179.4 | 26.2 | -34.9 | 0 | 0 | 0 | 113.6 | I376 P512 | P372-I376 WeakPolarHBondContact O-CD1 3.18Å; P372-I376 VanDerWaalsContact O-CG1 3.29Å; P372-I376 WeakPolarHBondContact O-CG1 3.15Å; P372-I376 PolarHBondContact O-N 3.18Å; P372-P512 HydrophobicContact CB-CG 3.97Å |
| 373 | Y | 88.8 | Confident | 85.4 | Confident | 77 Ų | 77 | 72.7 Ų | 72.7 | 30% | 0.302 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -78.1 | -41.8 | 176.7 | -64.6 | -78.1 | 0 | 0 | 0 | 110.4 | D371 Y375 I376 R377 M511 E552 T553 | D371-Y373 PolarHBondContact O-N 3.37Å; D371-Y373 PolarHBondContact OD1-N 3.44Å; D371-Y373 VanDerWaalsContact OD1-N 3.15Å; Y373-Y375 VanDerWaalsContact C-N 3.31Å; Y373-Y375 PolarHBondContact O-N 2.65Å; Y373-I376 WeakPolarHBondContact O-CB 3.43Å; Y373-I376 PolarHBondContact O-N 2.64Å; Y373-I376 VanDerWaalsContact O-N 3.15Å; Y373-R377 WeakPolarHBondContact O-CG 3.09Å; Y373-R377 PolarHBondContact O-N 3.15Å; Y373-M511 HydrophobicContact CD1-CG 4.46Å; Y373-M511 HydrophobicContact CE1-CE 4.07Å; Y373-M511 HydrophobicContact CE1-CG 3.99Å; Y373-E552 HydrophobicContact CE1-CB 3.93Å; Y373-E552 WeakPolarHBondContact CE1-O 3.42Å; Y373-E552 PolarHBondContact OH-OE2 3.1Å; Y373-E552 VanDerWaalsContact OH-OE2 3.14Å; Y373-T553 HydrophobicContact CD1-CG2 4.11Å; Y373-T553 HydrophobicContact CE1-CG2 4.18Å |
| 374 | E | 86.1 | Confident | 84.8 | Confident | 76 Ų | 76 | 72.5 Ų | 72.5 | 36% | 0.355 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -63.2 | -38 | 171.2 | -172.5 | 64.3 | -175.4 | 0 | 0 | 111.7 | L367 D371 I376 R377 M378 | L367-E374 HydrophobicContact CD1-CB 4.03Å; L367-E374 HydrophobicContact CD1-CG 3.94Å; D371-E374 HydrophobicContact CB-CB 3.97Å; D371-E374 PolarHBondContact O-N 2.84Å; D371-E374 PolarHBondContact OD1-N 2.88Å; D371-E374 VanDerWaalsContact OD1-N 3.09Å; E374-I376 VanDerWaalsContact C-N 3.27Å; E374-I376 PolarHBondContact O-N 2.92Å; E374-R377 PolarHBondContact O-N 3.3Å; E374-M378 HydrophobicContact CG-CG 4.31Å; E374-M378 HydrophobicContact CG-SD 4.48Å; E374-M378 WeakPolarHBondContact O-CG 3.44Å; E374-M378 PolarHBondContact O-N 2.94Å |
| 375 | Y | 89.3 | Confident | 83.9 | Confident | 23 Ų | 23 | 74 Ų | 74 | 9% | 0.09 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -55.6 | -42.1 | 171.6 | -179.3 | -89.9 | 0 | 0 | 0 | 112.5 | D364 L367 W368 D371 Y373 K379 P512 | D364-Y375 HydrophobicContact CB-CE2 4.23Å; L367-Y375 HydrophobicContact CB-CD2 4.46Å; L367-Y375 HydrophobicContact CD2-CD2 4.17Å; L367-Y375 HydrophobicContact CG-CD2 4.41Å; W368-Y375 AromaticContact CE3-CD1 3.71Å; W368-Y375 HydrophobicContact CE3-CD1 3.71Å; W368-Y375 HydrophobicContact CE3-CD2 4.25Å; W368-Y375 AromaticContact CE3-CE1 3.47Å; W368-Y375 HydrophobicContact CE3-CE1 3.47Å; W368-Y375 VanDerWaalsContact CE3-CE1 3.47Å; W368-Y375 HydrophobicContact CE3-CE2 4.04Å; W368-Y375 HydrophobicContact CE3-CG 4.11Å; W368-Y375 AromaticContact CE3-CZ 3.65Å; W368-Y375 AromaticContact CZ3-CD1 3.97Å; W368-Y375 HydrophobicContact CZ3-CD1 3.97Å; W368-Y375 AromaticContact CZ3-CE1 3.43Å; W368-Y375 HydrophobicContact CZ3-CE1 3.43Å; W368-Y375 VanDerWaalsContact CZ3-CE1 3.43Å; W368-Y375 AromaticContact CZ3-CZ 3.84Å; D371-Y375 PolarHBondContact O-N 2.95Å; Y373-Y375 VanDerWaalsContact C-N 3.31Å; Y373-Y375 PolarHBondContact O-N 2.65Å; Y375-K379 HydrophobicContact CE1-CD 3.93Å; Y375-K379 VanDerWaalsContact O-CB 3.23Å; Y375-K379 WeakPolarHBondContact O-CB 3.49Å; Y375-K379 PolarHBondContact O-N 3.11Å; Y375-P512 HydrophobicContact CD1-CB 4Å; Y375-P512 HydrophobicContact CD1-CG 4.05Å; Y375-P512 HydrophobicContact CE1-CB 4.23Å |
| 376 | I | 87.3 | Confident | 82.9 | Confident | 3 Ų | 3 | 78.2 Ų | 78.2 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -66.5 | -50 | 176.7 | -67.3 | 158.6 | 0 | 0 | 0 | 109.3 | P372 Y373 E374 M378 K379 F380 M511 P512 V515 T553 | P372-I376 WeakPolarHBondContact O-CD1 3.18Å; P372-I376 VanDerWaalsContact O-CG1 3.29Å; P372-I376 WeakPolarHBondContact O-CG1 3.15Å; P372-I376 PolarHBondContact O-N 3.18Å; Y373-I376 WeakPolarHBondContact O-CB 3.43Å; Y373-I376 PolarHBondContact O-N 2.64Å; Y373-I376 VanDerWaalsContact O-N 3.15Å; E374-I376 VanDerWaalsContact C-N 3.27Å; E374-I376 PolarHBondContact O-N 2.92Å; I376-M378 PolarHBondContact O-N 3.12Å; I376-K379 PolarHBondContact O-N 2.78Å; I376-K379 VanDerWaalsContact O-N 3.12Å; I376-F380 HydrophobicContact CG2-CD2 3.81Å; I376-F380 HydrophobicContact CG2-CE2 4.19Å; I376-F380 VanDerWaalsContact O-CD2 3.29Å; I376-F380 WeakPolarHBondContact O-CD2 3.31Å; I376-F380 PolarHBondContact O-N 3.5Å; I376-M511 HydrophobicContact CD1-CB 4.08Å; I376-M511 HydrophobicContact CD1-CG 3.71Å; I376-P512 HydrophobicContact CD1-CB 4.31Å; I376-P512 HydrophobicContact CD1-CG 4.08Å; I376-P512 HydrophobicContact CG1-CB 3.97Å; I376-P512 HydrophobicContact CG1-CG 4Å; I376-V515 HydrophobicContact CD1-CG2 3.83Å; I376-V515 HydrophobicContact CG1-CG2 4.34Å; I376-V515 HydrophobicContact CG2-CG1 4.4Å; I376-V515 HydrophobicContact CG2-CG2 4.3Å; I376-T553 HydrophobicContact CD1-CG2 3.93Å |
| 377 | R | 83.8 | Confident | 82.2 | Confident | 108 Ų | 108 | 76.1 Ų | 76.1 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -56 | -52.6 | -179.2 | -71.3 | 174.3 | 176.9 | -171.3 | -6.9 | 112 | Y373 E374 K379 F380 D381 E554 | Y373-R377 WeakPolarHBondContact O-CG 3.09Å; Y373-R377 PolarHBondContact O-N 3.15Å; E374-R377 PolarHBondContact O-N 3.3Å; R377-K379 PolarHBondContact O-N 2.83Å; R377-F380 PolarHBondContact O-N 2.99Å; R377-D381 WeakPolarHBondContact O-CB 3.26Å; R377-D381 PolarHBondContact O-N 2.95Å; R377-E554 IonicContact NH2-OE2 2.81Å; R377-E554 PolarHBondContact NH2-OE2 2.99Å |
| 378 | M | 82.5 | Confident | 82 | Confident | 84 Ų | 84 | 75.2 Ų | 75.2 | 41% | 0.414 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -59.8 | -32.1 | 178.4 | -70.2 | -168.2 | 73.4 | 0 | 0 | 113.5 | L367 E374 I376 | L367-M378 HydrophobicContact CD2-CG 4.49Å; L367-M378 HydrophobicContact CD2-SD 3.58Å; L367-M378 VanDerWaalsContact CD2-SD 3.58Å; E374-M378 HydrophobicContact CG-CG 4.31Å; E374-M378 HydrophobicContact CG-SD 4.48Å; E374-M378 WeakPolarHBondContact O-CG 3.44Å; E374-M378 PolarHBondContact O-N 2.94Å; I376-M378 PolarHBondContact O-N 3.12Å |
| 379 | K | 81.4 | Confident | 81.9 | Confident | 65 Ų | 65 | 75.6 Ų | 75.6 | 28% | 0.283 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -79.4 | -30.4 | -177.6 | -176.6 | 174.1 | 174.8 | -176.2 | 0 | 113.4 | Y375 I376 R377 E516 | Y375-K379 HydrophobicContact CE1-CD 3.93Å; Y375-K379 VanDerWaalsContact O-CB 3.23Å; Y375-K379 WeakPolarHBondContact O-CB 3.49Å; Y375-K379 PolarHBondContact O-N 3.11Å; I376-K379 PolarHBondContact O-N 2.78Å; I376-K379 VanDerWaalsContact O-N 3.12Å; R377-K379 PolarHBondContact O-N 2.83Å; K379-E516 WeakPolarHBondContact CE-OE1 3.37Å; K379-E516 IonicContact NZ-OE1 2.78Å; K379-E516 PolarHBondContact NZ-OE1 3.02Å |
| 380 | F | 76.1 | Confident | 81.8 | Confident | 50 Ų | 50 | 71 Ų | 71 | 22% | 0.219 | 34% | 0.344 | C | S | . | . | H | α-helix | trans | -101.4 | 3 | 179 | -70.2 | -83.2 | 0 | 0 | 0 | 112.6 | I376 R377 V382 V515 I519 N555 D557 | I376-F380 HydrophobicContact CG2-CD2 3.81Å; I376-F380 HydrophobicContact CG2-CE2 4.19Å; I376-F380 VanDerWaalsContact O-CD2 3.29Å; I376-F380 WeakPolarHBondContact O-CD2 3.31Å; I376-F380 PolarHBondContact O-N 3.5Å; R377-F380 PolarHBondContact O-N 2.99Å; F380-V382 PolarHBondContact O-N 3.27Å; F380-V515 HydrophobicContact CD2-CG1 4.44Å; F380-V515 HydrophobicContact CE2-CG1 3.62Å; F380-V515 HydrophobicContact CZ-CG1 3.78Å; F380-I519 HydrophobicContact CD1-CD1 4.43Å; F380-I519 HydrophobicContact CE1-CD1 3.35Å; F380-I519 HydrophobicContact CZ-CD1 3.58Å; F380-N555 WeakPolarHBondContact CB-ND2 3Å; F380-N555 WeakPolarHBondContact CG-ND2 3.02Å; F380-D557 VanDerWaalsContact CD1-OD2 3.26Å; F380-D557 WeakPolarHBondContact CD1-OD2 3.4Å |
| 381 | D | 74 | Confident | 81.6 | Confident | 52 Ų | 52 | 65.3 Ų | 65.3 | 28% | 0.278 | 32% | 0.319 | S | S | . | . | trans | -75.8 | 110.8 | 173.3 | -178.3 | 1.4 | 0 | 0 | 0 | 111 | R377 F383 E384 D385 | R377-D381 WeakPolarHBondContact O-CB 3.26Å; R377-D381 PolarHBondContact O-N 2.95Å; D381-F383 PolarHBondContact O-N 3.15Å; D381-F383 WeakPolarHBondContact OD1-CA 3.18Å; D381-F383 WeakPolarHBondContact OD1-CB 3.43Å; D381-F383 WeakPolarHBondContact OD1-CD2 3.17Å; D381-F383 PolarHBondContact OD1-N 2.9Å; D381-E384 HydrophobicContact CB-CB 4.17Å; D381-E384 HydrophobicContact CB-CG 4.26Å; D381-E384 PolarHBondContact O-N 3.09Å; D381-D385 PolarHBondContact O-N 3.15Å | ||
| 382 | V | 67.4 | Low | 81.6 | Confident | 96 Ų | 96 | 62 Ų | 62 | 58% | 0.582 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -58.9 | -30 | 177.1 | -174.9 | 0 | 0 | 0 | 0 | 111.7 | F380 F386 | F380-V382 PolarHBondContact O-N 3.27Å; V382-F386 HydrophobicContact CG1-CE2 4.07Å; V382-F386 WeakPolarHBondContact O-CD2 3.35Å; V382-F386 WeakPolarHBondContact O-CE2 3Å |
| 383 | F | 67.6 | Low | 81.8 | Confident | 153 Ų | 153 | 60.3 Ų | 60.3 | 67% | 0.671 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -73.9 | -38 | 179.6 | -64.5 | -71 | 0 | 0 | 0 | 112.7 | D381 D385 F386 I387 | D381-F383 PolarHBondContact O-N 3.15Å; D381-F383 WeakPolarHBondContact OD1-CA 3.18Å; D381-F383 WeakPolarHBondContact OD1-CB 3.43Å; D381-F383 WeakPolarHBondContact OD1-CD2 3.17Å; D381-F383 PolarHBondContact OD1-N 2.9Å; F383-D385 VanDerWaalsContact C-N 3.26Å; F383-D385 PolarHBondContact O-N 3.48Å; F383-F386 PolarHBondContact O-N 2.96Å; F383-I387 WeakPolarHBondContact O-CG1 3.44Å |
| 384 | E | 72.8 | Confident | 82 | Confident | 74 Ų | 74 | 58.9 Ų | 58.9 | 35% | 0.346 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.3 | -35.9 | 175 | -85.3 | -63 | 153.5 | 0 | 0 | 111.5 | D381 F386 I387 S388 | D381-E384 HydrophobicContact CB-CB 4.17Å; D381-E384 HydrophobicContact CB-CG 4.26Å; D381-E384 PolarHBondContact O-N 3.09Å; E384-F386 VanDerWaalsContact C-N 3.28Å; E384-F386 PolarHBondContact O-N 3.19Å; E384-I387 CarbonylContact O-C 3.35Å; E384-I387 WeakPolarHBondContact O-CA 3.36Å; E384-I387 PolarHBondContact O-N 3.28Å; E384-S388 WeakPolarHBondContact O-CB 3.36Å; E384-S388 PolarHBondContact O-N 3.28Å |
| 385 | D | 71.9 | Confident | 82.3 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 42% | 0.422 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -58.2 | -36.3 | 177 | -93.7 | -22.8 | 0 | 0 | 0 | 113.5 | D381 F383 I387 T391 | D381-D385 PolarHBondContact O-N 3.15Å; F383-D385 VanDerWaalsContact C-N 3.26Å; F383-D385 PolarHBondContact O-N 3.48Å; D385-I387 PolarHBondContact O-N 3.09Å; D385-T391 HydrophobicContact CB-CG2 4.17Å; D385-T391 WeakPolarHBondContact O-CB 3.37Å; D385-T391 PolarHBondContact OD1-OG1 3.23Å |
| 386 | F | 69.8 | Low | 82.6 | Confident | 134 Ų | 134 | 57.2 Ų | 57.2 | 59% | 0.588 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -69.2 | -16.7 | 176.1 | -68.7 | -72.6 | 0 | 0 | 0 | 113.5 | R320 Q323 V382 F383 E384 | R320-F386 PolarHBondContact NH1-O 3.24Å; R320-F386 PolarHBondContact NH2-O 3.44Å; R320-F386 VanDerWaalsContact NH2-O 3.17Å; Q323-F386 PolarHBondContact NE2-O 3.03Å; Q323-F386 VanDerWaalsContact NE2-O 3.14Å; V382-F386 HydrophobicContact CG1-CE2 4.07Å; V382-F386 WeakPolarHBondContact O-CD2 3.35Å; V382-F386 WeakPolarHBondContact O-CE2 3Å; F383-F386 PolarHBondContact O-N 2.96Å; E384-F386 VanDerWaalsContact C-N 3.28Å; E384-F386 PolarHBondContact O-N 3.19Å |
| 387 | I | 77.3 | Confident | 83 | Confident | 70 Ų | 70 | 57 Ų | 57 | 36% | 0.359 | 28% | 0.284 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108 | -26.8 | -174.2 | -41.4 | -145.6 | 0 | 0 | 0 | 111.5 | R320 Q323 F383 E384 D385 | R320-I387 HydrophobicContact CG-CG2 3.9Å; R320-I387 VanDerWaalsContact CZ-CA 3.44Å; R320-I387 VanDerWaalsContact NE-CG2 3.32Å; Q323-I387 WeakPolarHBondContact CG-O 3.38Å; F383-I387 WeakPolarHBondContact O-CG1 3.44Å; E384-I387 CarbonylContact O-C 3.35Å; E384-I387 WeakPolarHBondContact O-CA 3.36Å; E384-I387 PolarHBondContact O-N 3.28Å; D385-I387 PolarHBondContact O-N 3.09Å |
| 388 | S | 85.7 | Confident | 83.4 | Confident | 24 Ų | 24 | 54.3 Ų | 54.3 | 17% | 0.168 | 28% | 0.275 | C | S | . | . | trans | -65.2 | 126.7 | -172.8 | -180 | 0 | 0 | 0 | 0 | 113.3 | E384 T390 T391 A392 | E384-S388 WeakPolarHBondContact O-CB 3.36Å; E384-S388 PolarHBondContact O-N 3.28Å; S388-T390 PolarHBondContact O-N 3.09Å; S388-T390 WeakPolarHBondContact OG-CB 3.33Å; S388-T390 PolarHBondContact OG-N 3.44Å; S388-T391 PolarHBondContact OG-N 3.06Å; S388-A392 PolarHBondContact O-N 2.97Å | ||
| 389 | P | 89.8 | Confident | 83.9 | Confident | 21 Ų | 21 | 51.2 Ų | 51.2 | 14% | 0.136 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -62.3 | -28.4 | 167.6 | -21.6 | 33.3 | 0 | 0 | 0 | 113.2 | P319 L322 Q323 L326 L357 A393 | P319-P389 HydrophobicContact CB-CG 3.74Å; L322-P389 HydrophobicContact CD2-CB 4.22Å; L322-P389 HydrophobicContact CG-CB 4.37Å; Q323-P389 HydrophobicContact CB-CG 4.35Å; L326-P389 WeakPolarHBondContact CD1-O 3.46Å; L357-P389 HydrophobicContact CD2-CB 4.15Å; P389-A393 VanDerWaalsContact O-CB 3.29Å; P389-A393 WeakPolarHBondContact O-CB 3.41Å; P389-A393 PolarHBondContact O-N 3.46Å |
| 390 | T | 90.6 | Very high | 84.4 | Confident | 43 Ų | 43 | 48.1 Ų | 48.1 | 26% | 0.264 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -68.1 | -47.6 | -179.4 | -56.6 | 0 | 0 | 0 | 0 | 110.6 | L357 S388 A392 A393 Q394 | L357-T390 PolarHBondContact O-OG1 2.98Å; S388-T390 PolarHBondContact O-N 3.09Å; S388-T390 WeakPolarHBondContact OG-CB 3.33Å; S388-T390 PolarHBondContact OG-N 3.44Å; T390-A392 PolarHBondContact O-N 3.11Å; T390-A393 WeakPolarHBondContact O-CB 3.25Å; T390-A393 PolarHBondContact O-N 2.8Å; T390-A393 VanDerWaalsContact O-N 3.09Å; T390-Q394 PolarHBondContact O-N 3.23Å |
| 391 | T | 90.1 | Very high | 85.2 | Confident | 31 Ų | 31 | 45.8 Ų | 45.8 | 19% | 0.19 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63 | -43.6 | 177.5 | -48.3 | 0 | 0 | 0 | 0 | 110.6 | D385 S388 A393 Q394 T395 | D385-T391 HydrophobicContact CB-CG2 4.17Å; D385-T391 WeakPolarHBondContact O-CB 3.37Å; D385-T391 PolarHBondContact OD1-OG1 3.23Å; S388-T391 PolarHBondContact OG-N 3.06Å; T391-A393 VanDerWaalsContact C-N 3.3Å; T391-A393 PolarHBondContact O-N 3.17Å; T391-Q394 WeakPolarHBondContact O-CB 3.45Å; T391-Q394 PolarHBondContact O-N 3.12Å; T391-T395 PolarHBondContact O-N 3.35Å; T391-T395 PolarHBondContact O-OG1 3.36Å; T391-T395 VanDerWaalsContact O-OG1 3.04Å |
| 392 | A | 91.4 | Very high | 85.9 | Confident | 4 Ų | 4 | 44.9 Ų | 44.9 | 3% | 0.033 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.3 | -34.1 | 173 | 0 | 0 | 0 | 0 | 0 | 113.7 | Q323 L326 N327 S388 T390 L396 | Q323-A392 HydrophobicContact CG-CB 3.84Å; L326-A392 HydrophobicContact CB-CB 4.04Å; L326-A392 HydrophobicContact CD1-CB 4.23Å; N327-A392 VanDerWaalsContact OD1-CB 3.27Å; N327-A392 WeakPolarHBondContact OD1-CB 3.34Å; S388-A392 PolarHBondContact O-N 2.97Å; T390-A392 PolarHBondContact O-N 3.11Å; A392-L396 VanDerWaalsContact O-CB 3.31Å; A392-L396 WeakPolarHBondContact O-CB 3.12Å; A392-L396 PolarHBondContact O-N 3.08Å |
| 393 | A | 94.4 | Very high | 86.9 | Confident | 0 Ų | 0 | 42.7 Ų | 42.7 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -70 | -38.7 | 175 | 0 | 0 | 0 | 0 | 0 | 111.7 | L326 V354 L357 P389 T390 T391 L396 L397 | L326-A393 HydrophobicContact CD1-CB 4Å; V354-A393 HydrophobicContact CB-CB 4.38Å; V354-A393 HydrophobicContact CG1-CB 4.06Å; V354-A393 HydrophobicContact CG2-CB 4.28Å; L357-A393 HydrophobicContact CB-CB 4.24Å; L357-A393 HydrophobicContact CD1-CB 3.93Å; P389-A393 VanDerWaalsContact O-CB 3.29Å; P389-A393 WeakPolarHBondContact O-CB 3.41Å; P389-A393 PolarHBondContact O-N 3.46Å; T390-A393 WeakPolarHBondContact O-CB 3.25Å; T390-A393 PolarHBondContact O-N 2.8Å; T390-A393 VanDerWaalsContact O-N 3.09Å; T391-A393 VanDerWaalsContact C-N 3.3Å; T391-A393 PolarHBondContact O-N 3.17Å; A393-L396 PolarHBondContact O-N 3.23Å; A393-L397 WeakPolarHBondContact O-CB 3.32Å; A393-L397 PolarHBondContact O-N 2.89Å |
| 394 | Q | 92.6 | Very high | 87.8 | Confident | 47 Ų | 47 | 35.5 Ų | 35.5 | 22% | 0.22 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.5 | -48.2 | 172.9 | 172.8 | 174.5 | -15 | 0 | 0 | 111.4 | M358 T390 T391 L396 L397 F398 | M358-Q394 HydrophobicContact CE-CB 4.36Å; T390-Q394 PolarHBondContact O-N 3.23Å; T391-Q394 WeakPolarHBondContact O-CB 3.45Å; T391-Q394 PolarHBondContact O-N 3.12Å; Q394-L396 VanDerWaalsContact C-N 3.34Å; Q394-L396 PolarHBondContact O-N 2.95Å; Q394-L397 WeakPolarHBondContact O-CB 3.5Å; Q394-L397 PolarHBondContact O-N 2.92Å; Q394-F398 WeakPolarHBondContact O-CB 3.47Å; Q394-F398 PolarHBondContact O-N 3.28Å |
| 395 | T | 92.9 | Very high | 88.4 | Confident | 62 Ų | 62 | 37.3 Ų | 37.3 | 38% | 0.38 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -59.8 | -46 | 176 | -48.5 | 0 | 0 | 0 | 0 | 111 | T391 L397 F398 T399 | T391-T395 PolarHBondContact O-N 3.35Å; T391-T395 PolarHBondContact O-OG1 3.36Å; T391-T395 VanDerWaalsContact O-OG1 3.04Å; T395-L397 VanDerWaalsContact C-N 3.3Å; T395-L397 PolarHBondContact O-N 3.32Å; T395-F398 PolarHBondContact O-N 3.33Å; T395-T399 PolarHBondContact O-N 3.38Å; T395-T399 PolarHBondContact O-OG1 2.66Å; T395-T399 VanDerWaalsContact O-OG1 3.1Å |
| 396 | L | 94.7 | Very high | 89 | Confident | 1 Ų | 1 | 39.1 Ų | 39.1 | 1% | 0.005 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -57.7 | -43.8 | 176.4 | 177.4 | 66.6 | 0 | 0 | 0 | 112.1 | L326 I329 N330 I333 I349 V354 A392 A393 Q394 A400 | L326-L396 HydrophobicContact CD2-CD2 3.64Å; I329-L396 HydrophobicContact CB-CD1 4.39Å; I329-L396 HydrophobicContact CG2-CD1 3.89Å; I329-L396 HydrophobicContact CG2-CD2 4.39Å; N330-L396 HydrophobicContact CB-CB 4.46Å; N330-L396 HydrophobicContact CB-CD1 3.86Å; N330-L396 WeakPolarHBondContact OD1-CA 3.38Å; I333-L396 HydrophobicContact CD1-CD1 3.41Å; I333-L396 VanDerWaalsContact CD1-CD1 3.41Å; I333-L396 HydrophobicContact CG1-CD1 4.4Å; I349-L396 HydrophobicContact CG2-CD2 4.2Å; V354-L396 HydrophobicContact CG2-CD2 4.04Å; A392-L396 VanDerWaalsContact O-CB 3.31Å; A392-L396 WeakPolarHBondContact O-CB 3.12Å; A392-L396 PolarHBondContact O-N 3.08Å; A393-L396 PolarHBondContact O-N 3.23Å; Q394-L396 VanDerWaalsContact C-N 3.34Å; Q394-L396 PolarHBondContact O-N 2.95Å; L396-A400 WeakPolarHBondContact O-CB 3.26Å; L396-A400 PolarHBondContact O-N 2.94Å |
| 397 | L | 95.4 | Very high | 90.1 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -62 | -48.3 | 177.5 | 175.6 | 63 | 0 | 0 | 0 | 111.6 | I350 V354 M358 A393 Q394 T395 A400 C401 T411 M435 L439 | I350-L397 HydrophobicContact CD1-CD1 4.46Å; I350-L397 HydrophobicContact CG1-CD1 4.5Å; I350-L397 HydrophobicContact CG2-CD1 4.21Å; V354-L397 HydrophobicContact CG1-CB 4.15Å; M358-L397 HydrophobicContact CE-CD2 4.25Å; M358-L397 HydrophobicContact SD-CD2 3.81Å; A393-L397 WeakPolarHBondContact O-CB 3.32Å; A393-L397 PolarHBondContact O-N 2.89Å; Q394-L397 WeakPolarHBondContact O-CB 3.5Å; Q394-L397 PolarHBondContact O-N 2.92Å; T395-L397 VanDerWaalsContact C-N 3.3Å; T395-L397 PolarHBondContact O-N 3.32Å; L397-A400 PolarHBondContact O-N 3.36Å; L397-C401 WeakPolarHBondContact O-CB 3.44Å; L397-C401 PolarHBondContact O-N 3.09Å; L397-C401 PolarHBondContact O-SG 3.39Å; L397-T411 HydrophobicContact CD1-CG2 4.01Å; L397-M435 HydrophobicContact CD1-CE 3.54Å; L397-M435 HydrophobicContact CD2-CB 3.9Å; L397-M435 HydrophobicContact CD2-CE 3.67Å; L397-M435 HydrophobicContact CD2-CG 3.81Å; L397-M435 HydrophobicContact CG-CE 4.26Å; L397-L439 HydrophobicContact CD1-CD1 4.43Å; L397-L439 HydrophobicContact CD2-CD1 4.38Å; L397-L439 HydrophobicContact CD2-CG 4.34Å; L397-L439 HydrophobicContact CG-CD1 4.36Å; L397-L439 HydrophobicContact CG-CD2 4.14Å; L397-L439 HydrophobicContact CG-CG 4.33Å |
| 398 | F | 93.9 | Very high | 90.8 | Very high | 51 Ų | 51 | 30.1 Ų | 30.1 | 22% | 0.224 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -55.4 | 179.7 | -178.1 | -89.1 | 0 | 0 | 0 | 110.7 | Q394 T395 A400 C401 N402 S438 E441 I442 | Q394-F398 WeakPolarHBondContact O-CB 3.47Å; Q394-F398 PolarHBondContact O-N 3.28Å; T395-F398 PolarHBondContact O-N 3.33Å; F398-A400 VanDerWaalsContact C-N 3.32Å; F398-A400 PolarHBondContact O-N 3.01Å; F398-C401 PolarHBondContact O-N 3.29Å; F398-C401 VanDerWaalsContact O-N 3.15Å; F398-N402 WeakPolarHBondContact O-CB 3.36Å; F398-N402 PolarHBondContact O-N 3.09Å; F398-S438 WeakPolarHBondContact CD2-O 3.43Å; F398-E441 HydrophobicContact CE2-CB 4.3Å; F398-E441 WeakPolarHBondContact CZ-OE2 3.36Å; F398-I442 HydrophobicContact CD1-CD1 4.47Å; F398-I442 HydrophobicContact CD2-CD1 3.57Å; F398-I442 HydrophobicContact CD2-CG1 4.15Å; F398-I442 HydrophobicContact CE1-CD1 4.49Å; F398-I442 HydrophobicContact CE2-CD1 3.61Å; F398-I442 HydrophobicContact CE2-CG1 3.66Å; F398-I442 HydrophobicContact CG-CD1 4.03Å; F398-I442 HydrophobicContact CZ-CD1 4.09Å; F398-I442 HydrophobicContact CZ-CG1 4.01Å |
| 399 | T | 91.9 | Very high | 91 | Very high | 18 Ų | 18 | 35.2 Ų | 35.2 | 11% | 0.11 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -59.7 | -40.9 | 179.8 | -55.8 | 0 | 0 | 0 | 0 | 111.9 | N330 I333 T395 C401 K403 | N330-T399 WeakPolarHBondContact OD1-CB 3.38Å; N330-T399 WeakPolarHBondContact OD1-CG2 3.37Å; N330-T399 PolarHBondContact OD1-OG1 3.25Å; N330-T399 VanDerWaalsContact OD1-OG1 3.11Å; I333-T399 HydrophobicContact CB-CG2 4.22Å; I333-T399 HydrophobicContact CD1-CG2 4.47Å; I333-T399 HydrophobicContact CG2-CG2 4.07Å; T395-T399 PolarHBondContact O-N 3.38Å; T395-T399 PolarHBondContact O-OG1 2.66Å; T395-T399 VanDerWaalsContact O-OG1 3.1Å; T399-C401 PolarHBondContact O-N 3.37Å; T399-K403 HydrophobicContact CG2-CD 3.84Å; T399-K403 HydrophobicContact CG2-CG 4.26Å; T399-K403 WeakPolarHBondContact O-CB 3.19Å; T399-K403 PolarHBondContact O-N 3.07Å |
| 400 | A | 92.9 | Very high | 91.2 | Very high | 0 Ų | 0 | 38.8 Ų | 38.8 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -64 | -40.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | I333 I346 L396 L397 F398 R404 V407 | I333-A400 HydrophobicContact CD1-CB 3.68Å; I346-A400 HydrophobicContact CD1-CB 4.31Å; I346-A400 HydrophobicContact CG1-CB 4.43Å; L396-A400 WeakPolarHBondContact O-CB 3.26Å; L396-A400 PolarHBondContact O-N 2.94Å; L397-A400 PolarHBondContact O-N 3.36Å; F398-A400 VanDerWaalsContact C-N 3.32Å; F398-A400 PolarHBondContact O-N 3.01Å; A400-R404 PolarHBondContact O-N 3.32Å; A400-V407 HydrophobicContact CB-CG1 4.05Å |
| 401 | C | 92.1 | Very high | 91.4 | Very high | 1 Ų | 1 | 36.7 Ų | 36.7 | 1% | 0.007 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -77.7 | -30.6 | -179.4 | -69.8 | 0 | 0 | 0 | 0 | 113.3 | L397 F398 T399 L408 L439 I442 | L397-C401 WeakPolarHBondContact O-CB 3.44Å; L397-C401 PolarHBondContact O-N 3.09Å; L397-C401 PolarHBondContact O-SG 3.39Å; F398-C401 PolarHBondContact O-N 3.29Å; F398-C401 VanDerWaalsContact O-N 3.15Å; T399-C401 PolarHBondContact O-N 3.37Å; C401-L408 HydrophobicContact CB-CB 4.15Å; C401-L408 HydrophobicContact CB-CD1 4.05Å; C401-L439 HydrophobicContact CB-CD2 3.58Å; C401-I442 HydrophobicContact CB-CD1 4.2Å |
| 402 | N | 89.4 | Confident | 91.5 | Very high | 33 Ų | 33 | 36.5 Ų | 36.5 | 18% | 0.176 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -75.1 | -55.7 | 177.9 | -162 | 26.3 | 0 | 0 | 0 | 110.8 | F398 I442 | F398-N402 WeakPolarHBondContact O-CB 3.36Å; F398-N402 PolarHBondContact O-N 3.09Å; N402-I442 HydrophobicContact CB-CD1 3.72Å; N402-I442 HydrophobicContact CB-CG1 4.17Å |
| 403 | K | 86.9 | Confident | 91.6 | Very high | 50 Ų | 50 | 37.8 Ų | 37.8 | 22% | 0.217 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -82.4 | -24.9 | -168.4 | -59.8 | -168.4 | 179.6 | -169.3 | 0 | 114.5 | I333 T399 L902 D908 | I333-K403 HydrophobicContact CG2-CB 4.39Å; T399-K403 HydrophobicContact CG2-CD 3.84Å; T399-K403 HydrophobicContact CG2-CG 4.26Å; T399-K403 WeakPolarHBondContact O-CB 3.19Å; T399-K403 PolarHBondContact O-N 3.07Å; K403-L902 HydrophobicContact CB-CD1 4.16Å; K403-L902 WeakPolarHBondContact O-CB 3.43Å; K403-L902 PolarHBondContact O-N 3.45Å; K403-D908 WeakPolarHBondContact CD-OD2 3.39Å; K403-D908 WeakPolarHBondContact CE-OD2 3.45Å; K403-D908 IonicContact NZ-OD2 4Å; K403-D908 PolarHBondContact NZ-OD2 2.59Å |
| 404 | R | 87.6 | Confident | 91.6 | Very high | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.011 | 19% | 0.194 | C | C | . | . | B | Isolated β-bridge | trans | -119.7 | 126.5 | -169.5 | -61.2 | -61.5 | -170.6 | -174.2 | -3.3 | 113.7 | I333 A334 H335 W339 A400 V407 G903 E906 | I333-R404 HydrophobicContact CG2-CG 3.72Å; I333-R404 PolarHBondContact O-NE 3.17Å; I333-R404 PolarHBondContact O-NH2 3.43Å; A334-R404 PolarHBondContact O-NH2 2.82Å; H335-R404 VanDerWaalsContact C-NH2 3.34Å; H335-R404 PolarHBondContact O-NH2 3.03Å; W339-R404 HydrophobicContact CD2-CG 3.85Å; W339-R404 HydrophobicContact CE3-CG 3.95Å; W339-R404 VanDerWaalsContact CG-NE 3.35Å; W339-R404 HydrophobicContact CH2-CB 3.68Å; W339-R404 HydrophobicContact CH2-CG 3.72Å; W339-R404 HydrophobicContact CZ2-CB 3.51Å; W339-R404 HydrophobicContact CZ2-CG 3.61Å; W339-R404 HydrophobicContact CZ3-CB 4.34Å; W339-R404 HydrophobicContact CZ3-CG 3.89Å; A400-R404 PolarHBondContact O-N 3.32Å; R404-V407 HydrophobicContact CB-CG2 3.92Å; R404-V407 PolarHBondContact O-N 3.17Å; R404-G903 PolarHBondContact NH1-O 3.16Å; R404-E906 PolarHBondContact NH1-O 2.74Å |
| 405 | K | 84.8 | Confident | 91.7 | Very high | 112 Ų | 112 | 37 Ų | 37 | 49% | 0.487 | 18% | 0.184 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | 147.8 | -179.8 | -62.6 | -175.4 | 178.8 | 173.9 | 0 | 112.7 | V407 E901 | K405-V407 PolarHBondContact O-N 2.91Å; K405-E901 WeakPolarHBondContact CE-OE2 3.5Å; K405-E901 HydrophobicContact CG-CB 4.44Å |
| 406 | E | 85.5 | Confident | 91.6 | Very high | 116 Ų | 116 | 41 Ų | 41 | 54% | 0.542 | 19% | 0.193 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 65.8 | -16.4 | -178.3 | -51.2 | -179.4 | 177.1 | 0 | 0 | 117 | Q409 K410 | E406-Q409 PolarHBondContact O-N 2.96Å; E406-K410 WeakPolarHBondContact O-CG 3.26Å; E406-K410 PolarHBondContact O-N 3.37Å; E406-K410 VanDerWaalsContact O-N 3.15Å; E406-K410 WeakPolarHBondContact OE2-CE 3.27Å; E406-K410 IonicContact OE2-NZ 3.32Å; E406-K410 PolarHBondContact OE2-NZ 3.31Å |
| 407 | V | 92.3 | Very high | 91.5 | Very high | 6 Ų | 6 | 47.3 Ų | 47.3 | 4% | 0.036 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -64.4 | -47.6 | -178.4 | -178.5 | 0 | 0 | 0 | 0 | 110.6 | W339 I350 A400 R404 K405 Q409 K410 T411 | W339-V407 HydrophobicContact CH2-CG2 3.85Å; W339-V407 HydrophobicContact CZ2-CG2 4.26Å; I350-V407 HydrophobicContact CD1-CG1 3.58Å; A400-V407 HydrophobicContact CB-CG1 4.05Å; R404-V407 HydrophobicContact CB-CG2 3.92Å; R404-V407 PolarHBondContact O-N 3.17Å; K405-V407 PolarHBondContact O-N 2.91Å; V407-Q409 PolarHBondContact O-N 3.2Å; V407-K410 PolarHBondContact O-N 3.47Å; V407-T411 WeakPolarHBondContact O-CB 3.29Å; V407-T411 PolarHBondContact O-N 3.38Å; V407-T411 PolarHBondContact O-OG1 3.47Å |
| 408 | L | 91.7 | Very high | 91.4 | Very high | 9 Ų | 9 | 48.2 Ų | 48.2 | 5% | 0.047 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -56.6 | -49.6 | 177.3 | 178.7 | 63.8 | 0 | 0 | 0 | 111.9 | C401 K410 T411 M412 L439 I442 L443 K446 Y449 | C401-L408 HydrophobicContact CB-CB 4.15Å; C401-L408 HydrophobicContact CB-CD1 4.05Å; L408-K410 PolarHBondContact O-N 3.23Å; L408-T411 PolarHBondContact O-N 3.04Å; L408-M412 HydrophobicContact CD1-CG 4.04Å; L408-M412 HydrophobicContact CG-CG 4.45Å; L408-M412 WeakPolarHBondContact O-CB 3.47Å; L408-M412 WeakPolarHBondContact O-CG 3.45Å; L408-M412 PolarHBondContact O-N 2.94Å; L408-L439 HydrophobicContact CD1-CD1 4.17Å; L408-I442 HydrophobicContact CD2-CG2 3.94Å; L408-L443 HydrophobicContact CD1-CD2 4.02Å; L408-K446 HydrophobicContact CD2-CD 3.68Å; L408-Y449 HydrophobicContact CD2-CD2 4.31Å; L408-Y449 HydrophobicContact CD2-CE2 3.77Å; L408-Y449 HydrophobicContact CG-CE2 4.26Å |
| 409 | Q | 91 | Very high | 91.3 | Very high | 132 Ų | 132 | 46.6 Ų | 46.6 | 62% | 0.617 | 22% | 0.221 | S | C | * | . | H | α-helix | trans | -61.5 | -43.1 | -177.9 | -173.4 | -176.2 | 7.8 | 0 | 0 | 112.1 | E406 V407 G413 | E406-Q409 PolarHBondContact O-N 2.96Å; V407-Q409 PolarHBondContact O-N 3.2Å; Q409-G413 PolarHBondContact O-N 2.91Å |
| 410 | K | 93.3 | Very high | 91.1 | Very high | 95 Ų | 95 | 48.7 Ų | 48.7 | 41% | 0.413 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -70.2 | -35.6 | 179.6 | -66.5 | 174.2 | -170.5 | 157.1 | 0 | 111.8 | E406 V407 L408 G413 F414 | E406-K410 WeakPolarHBondContact O-CG 3.26Å; E406-K410 PolarHBondContact O-N 3.37Å; E406-K410 VanDerWaalsContact O-N 3.15Å; E406-K410 WeakPolarHBondContact OE2-CE 3.27Å; E406-K410 IonicContact OE2-NZ 3.32Å; E406-K410 PolarHBondContact OE2-NZ 3.31Å; V407-K410 PolarHBondContact O-N 3.47Å; L408-K410 PolarHBondContact O-N 3.23Å; K410-G413 PolarHBondContact O-N 2.94Å; K410-F414 PolarHBondContact O-N 3.27Å |
| 411 | T | 94.5 | Very high | 91 | Very high | 0 Ų | 0 | 52 Ų | 52 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 175.8 | -58.8 | 0 | 0 | 0 | 0 | 111.2 | I350 L397 V407 L408 G413 F414 C415 M435 L439 | I350-T411 HydrophobicContact CG2-CG2 4.21Å; L397-T411 HydrophobicContact CD1-CG2 4.01Å; V407-T411 WeakPolarHBondContact O-CB 3.29Å; V407-T411 PolarHBondContact O-N 3.38Å; V407-T411 PolarHBondContact O-OG1 3.47Å; L408-T411 PolarHBondContact O-N 3.04Å; T411-G413 VanDerWaalsContact C-N 3.29Å; T411-G413 PolarHBondContact O-N 3.15Å; T411-F414 WeakPolarHBondContact O-CB 3.41Å; T411-F414 PolarHBondContact O-N 2.68Å; T411-C415 PolarHBondContact O-N 2.95Å; T411-C415 PolarHBondContact O-SG 2.76Å; T411-M435 HydrophobicContact CG2-CE 3.5Å; T411-M435 VanDerWaalsContact CG2-CE 3.5Å; T411-L439 HydrophobicContact CG2-CD1 4.31Å |
| 412 | M | 93.1 | Very high | 90.3 | Very high | 26 Ų | 26 | 60 Ų | 60 | 13% | 0.128 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -61.2 | -38.1 | 175.5 | -68.9 | -54.1 | -66.4 | 0 | 0 | 112.1 | L408 F414 C415 Y416 I436 L443 Y449 | L408-M412 HydrophobicContact CD1-CG 4.04Å; L408-M412 HydrophobicContact CG-CG 4.45Å; L408-M412 WeakPolarHBondContact O-CB 3.47Å; L408-M412 WeakPolarHBondContact O-CG 3.45Å; L408-M412 PolarHBondContact O-N 2.94Å; M412-F414 VanDerWaalsContact C-N 3.31Å; M412-F414 PolarHBondContact O-N 2.96Å; M412-C415 PolarHBondContact O-N 3.11Å; M412-Y416 VanDerWaalsContact O-CB 3.27Å; M412-Y416 WeakPolarHBondContact O-CB 3.22Å; M412-Y416 PolarHBondContact O-N 2.82Å; M412-I436 HydrophobicContact CE-CD1 4.45Å; M412-I436 HydrophobicContact CE-CG1 4.07Å; M412-I436 HydrophobicContact CE-CG2 4.49Å; M412-I436 HydrophobicContact SD-CG1 4.2Å; M412-L443 HydrophobicContact CE-CD1 4.07Å; M412-L443 HydrophobicContact CE-CD2 4.16Å; M412-L443 HydrophobicContact CG-CD2 4.15Å; M412-L443 HydrophobicContact SD-CD1 4.07Å; M412-L443 HydrophobicContact SD-CD2 4.01Å; M412-Y449 HydrophobicContact CB-CE1 4.32Å; M412-Y449 HydrophobicContact CG-CE1 4.12Å |
| 413 | G | 92.9 | Very high | 90 | Very high | 31 Ų | 31 | 63.4 Ų | 63.4 | 32% | 0.32 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -60.7 | -38.6 | 173.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q409 K410 T411 Q417 | Q409-G413 PolarHBondContact O-N 2.91Å; K410-G413 PolarHBondContact O-N 2.94Å; T411-G413 VanDerWaalsContact C-N 3.29Å; T411-G413 PolarHBondContact O-N 3.15Å; G413-Q417 VanDerWaalsContact O-CG 3.29Å; G413-Q417 WeakPolarHBondContact O-CG 3.26Å; G413-Q417 PolarHBondContact O-N 2.88Å |
| 414 | F | 94.8 | Very high | 89.8 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 14% | 0.14 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -67.8 | -49.6 | 174.7 | 171.2 | -106.4 | 0 | 0 | 0 | 112 | Q351 F355 K410 T411 M412 Y416 Q417 I418 | Q351-F414 HydrophobicContact CB-CE2 4.4Å; Q351-F414 HydrophobicContact CB-CZ 4.29Å; Q351-F414 HydrophobicContact CG-CD1 4.23Å; Q351-F414 HydrophobicContact CG-CD2 3.95Å; Q351-F414 HydrophobicContact CG-CE1 4.22Å; Q351-F414 HydrophobicContact CG-CE2 3.94Å; Q351-F414 HydrophobicContact CG-CG 4.07Å; Q351-F414 HydrophobicContact CG-CZ 4.06Å; F355-F414 HydrophobicContact CB-CE1 4.08Å; F355-F414 HydrophobicContact CD1-CE1 4.03Å; F355-F414 AromaticContact CD1-CZ 3.87Å; F355-F414 HydrophobicContact CD1-CZ 3.87Å; F355-F414 AromaticContact CD2-CE1 3.84Å; F355-F414 HydrophobicContact CD2-CE1 3.84Å; F355-F414 HydrophobicContact CD2-CZ 4.47Å; F355-F414 HydrophobicContact CE1-CE1 4.45Å; F355-F414 HydrophobicContact CE1-CZ 4.17Å; F355-F414 HydrophobicContact CE2-CE1 4.23Å; F355-F414 AromaticContact CG-CE1 3.71Å; F355-F414 HydrophobicContact CG-CE1 3.71Å; F355-F414 HydrophobicContact CG-CZ 4.03Å; K410-F414 PolarHBondContact O-N 3.27Å; T411-F414 WeakPolarHBondContact O-CB 3.41Å; T411-F414 PolarHBondContact O-N 2.68Å; M412-F414 VanDerWaalsContact C-N 3.31Å; M412-F414 PolarHBondContact O-N 2.96Å; F414-Y416 VanDerWaalsContact C-N 3.31Å; F414-Y416 PolarHBondContact O-N 3.2Å; F414-Q417 WeakPolarHBondContact O-CB 3.18Å; F414-Q417 PolarHBondContact O-N 3.29Å; F414-I418 HydrophobicContact CD1-CD1 4.26Å; F414-I418 HydrophobicContact CD2-CD1 4.41Å; F414-I418 HydrophobicContact CE1-CD1 3.67Å; F414-I418 HydrophobicContact CE2-CD1 3.84Å; F414-I418 HydrophobicContact CZ-CD1 3.45Å; F414-I418 VanDerWaalsContact CZ-CD1 3.45Å; F414-I418 PolarHBondContact O-N 3.14Å |
| 415 | C | 93.8 | Very high | 89.9 | Confident | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -60.5 | -41.4 | 178.2 | -60.9 | 0 | 0 | 0 | 0 | 111.7 | T411 M412 Q417 I418 L419 A432 I436 | T411-C415 PolarHBondContact O-N 2.95Å; T411-C415 PolarHBondContact O-SG 2.76Å; M412-C415 PolarHBondContact O-N 3.11Å; C415-Q417 VanDerWaalsContact C-N 3.33Å; C415-Q417 PolarHBondContact O-N 3.43Å; C415-I418 PolarHBondContact O-N 2.99Å; C415-I418 VanDerWaalsContact O-N 3.14Å; C415-L419 WeakPolarHBondContact O-CG 3.39Å; C415-L419 PolarHBondContact O-N 3.07Å; C415-A432 HydrophobicContact CB-CB 4.28Å; C415-I436 HydrophobicContact CB-CD1 3.85Å; C415-I436 HydrophobicContact CB-CG1 4.01Å |
| 416 | Y | 91.6 | Very high | 90.1 | Very high | 145 Ų | 145 | 62.7 Ų | 62.7 | 57% | 0.569 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -61 | -39.1 | 177.3 | -176.2 | -102.9 | 0 | 0 | 0 | 112.9 | M412 F414 I418 L419 T420 | M412-Y416 VanDerWaalsContact O-CB 3.27Å; M412-Y416 WeakPolarHBondContact O-CB 3.22Å; M412-Y416 PolarHBondContact O-N 2.82Å; F414-Y416 VanDerWaalsContact C-N 3.31Å; F414-Y416 PolarHBondContact O-N 3.2Å; Y416-I418 VanDerWaalsContact C-N 3.31Å; Y416-I418 PolarHBondContact O-N 3.32Å; Y416-L419 PolarHBondContact O-N 2.92Å; Y416-T420 HydrophobicContact CD1-CG2 4.28Å; Y416-T420 HydrophobicContact CD2-CG2 4.16Å; Y416-T420 HydrophobicContact CE1-CG2 3.85Å; Y416-T420 HydrophobicContact CE2-CG2 3.71Å; Y416-T420 HydrophobicContact CG-CG2 4.43Å; Y416-T420 WeakPolarHBondContact O-CB 3.47Å; Y416-T420 WeakPolarHBondContact O-CG2 3.36Å; Y416-T420 PolarHBondContact O-N 3.43Å; Y416-T420 PolarHBondContact O-OG1 3.37Å |
| 417 | Q | 93 | Very high | 90.5 | Very high | 133 Ų | 133 | 60 Ų | 60 | 62% | 0.621 | 31% | 0.313 | S | S | * | . | H | α-helix | trans | -62 | -39.6 | 175.3 | -74.4 | 171.1 | 5.6 | 0 | 0 | 111.9 | G413 F414 C415 T420 D421 | G413-Q417 VanDerWaalsContact O-CG 3.29Å; G413-Q417 WeakPolarHBondContact O-CG 3.26Å; G413-Q417 PolarHBondContact O-N 2.88Å; F414-Q417 WeakPolarHBondContact O-CB 3.18Å; F414-Q417 PolarHBondContact O-N 3.29Å; C415-Q417 VanDerWaalsContact C-N 3.33Å; C415-Q417 PolarHBondContact O-N 3.43Å; Q417-T420 PolarHBondContact O-OG1 2.61Å; Q417-D421 WeakPolarHBondContact O-CB 3.17Å; Q417-D421 PolarHBondContact O-N 3.09Å |
| 418 | I | 92.8 | Very high | 90.5 | Very high | 19 Ų | 19 | 64.7 Ų | 64.7 | 10% | 0.097 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -70.9 | -41.9 | 179.5 | -64.5 | 179.2 | 0 | 0 | 0 | 111.4 | F355 F414 C415 Y416 T420 D421 K428 A432 | F355-I418 HydrophobicContact CE1-CD1 3.89Å; F355-I418 HydrophobicContact CE2-CD1 3.82Å; F355-I418 HydrophobicContact CZ-CD1 3.39Å; F414-I418 HydrophobicContact CD1-CD1 4.26Å; F414-I418 HydrophobicContact CD2-CD1 4.41Å; F414-I418 HydrophobicContact CE1-CD1 3.67Å; F414-I418 HydrophobicContact CE2-CD1 3.84Å; F414-I418 HydrophobicContact CZ-CD1 3.45Å; F414-I418 VanDerWaalsContact CZ-CD1 3.45Å; F414-I418 PolarHBondContact O-N 3.14Å; C415-I418 PolarHBondContact O-N 2.99Å; C415-I418 VanDerWaalsContact O-N 3.14Å; Y416-I418 VanDerWaalsContact C-N 3.31Å; Y416-I418 PolarHBondContact O-N 3.32Å; I418-T420 VanDerWaalsContact C-N 3.35Å; I418-D421 PolarHBondContact O-N 3.49Å; I418-K428 HydrophobicContact CG2-CB 4.03Å; I418-K428 WeakPolarHBondContact CG2-O 3.4Å; I418-A432 HydrophobicContact CB-CB 4.28Å; I418-A432 HydrophobicContact CG2-CB 4.05Å |
| 419 | L | 90.6 | Very high | 90.5 | Very high | 18 Ų | 18 | 66.5 Ų | 66.5 | 9% | 0.094 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -69.8 | -30.9 | -178.9 | -68.3 | 179.6 | 0 | 0 | 0 | 113.1 | C415 Y416 K429 A432 L433 I436 H460 | C415-L419 WeakPolarHBondContact O-CG 3.39Å; C415-L419 PolarHBondContact O-N 3.07Å; Y416-L419 PolarHBondContact O-N 2.92Å; L419-K429 HydrophobicContact CD2-CB 4.46Å; L419-A432 HydrophobicContact CD2-CB 4.09Å; L419-A432 HydrophobicContact CG-CB 4.23Å; L419-L433 HydrophobicContact CD1-CD2 4.24Å; L419-L433 HydrophobicContact CD2-CD2 4.14Å; L419-L433 HydrophobicContact CD2-CG 4.03Å; L419-I436 HydrophobicContact CD1-CD1 3.6Å; L419-H460 HydrophobicContact CD1-CB 4.49Å |
| 420 | T | 89.6 | Confident | 90.7 | Very high | 61 Ų | 61 | 60.3 Ų | 60.3 | 37% | 0.374 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -85 | -17.9 | 178.9 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | Y416 Q417 I418 L422 | Y416-T420 HydrophobicContact CD1-CG2 4.28Å; Y416-T420 HydrophobicContact CD2-CG2 4.16Å; Y416-T420 HydrophobicContact CE1-CG2 3.85Å; Y416-T420 HydrophobicContact CE2-CG2 3.71Å; Y416-T420 HydrophobicContact CG-CG2 4.43Å; Y416-T420 WeakPolarHBondContact O-CB 3.47Å; Y416-T420 WeakPolarHBondContact O-CG2 3.36Å; Y416-T420 PolarHBondContact O-N 3.43Å; Y416-T420 PolarHBondContact O-OG1 3.37Å; Q417-T420 PolarHBondContact O-OG1 2.61Å; I418-T420 VanDerWaalsContact C-N 3.35Å; T420-L422 PolarHBondContact O-N 3.26Å |
| 421 | D | 90.8 | Very high | 90.7 | Very high | 71 Ų | 71 | 55.8 Ų | 55.8 | 38% | 0.38 | 29% | 0.292 | S | S | . | . | trans | -73.8 | 110.4 | 174.8 | -175.5 | 1.6 | 0 | 0 | 0 | 111.3 | Q417 I418 S423 S424 K429 | Q417-D421 WeakPolarHBondContact O-CB 3.17Å; Q417-D421 PolarHBondContact O-N 3.09Å; I418-D421 PolarHBondContact O-N 3.49Å; D421-S423 PolarHBondContact O-N 3.2Å; D421-S423 WeakPolarHBondContact OD1-CB 3.45Å; D421-S423 PolarHBondContact OD1-N 2.62Å; D421-S423 PolarHBondContact OD1-OG 3.1Å; D421-S423 PolarHBondContact OD2-OG 3.08Å; D421-S424 WeakPolarHBondContact O-CB 3.39Å; D421-S424 PolarHBondContact O-N 2.86Å; D421-K429 WeakPolarHBondContact O-CE 3.4Å; D421-K429 PolarHBondContact O-NZ 2.99Å | ||
| 422 | L | 76.1 | Confident | 90.7 | Very high | 167 Ų | 167 | 55.8 Ų | 55.8 | 87% | 0.874 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -66 | -21.7 | 177.9 | -66.3 | 173.5 | 0 | 0 | 0 | 113 | T420 | T420-L422 PolarHBondContact O-N 3.26Š|
| 423 | S | 82.6 | Confident | 90.8 | Very high | 105 Ų | 105 | 54.6 Ų | 54.6 | 73% | 0.734 | 29% | 0.286 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -94.6 | -0.9 | 178.9 | 67.3 | 0 | 0 | 0 | 0 | 114 | D421 | D421-S423 PolarHBondContact O-N 3.2Å; D421-S423 WeakPolarHBondContact OD1-CB 3.45Å; D421-S423 PolarHBondContact OD1-N 2.62Å; D421-S423 PolarHBondContact OD1-OG 3.1Å; D421-S423 PolarHBondContact OD2-OG 3.08Å |
| 424 | S | 83.8 | Confident | 90.9 | Very high | 18 Ų | 18 | 54 Ų | 54 | 13% | 0.126 | 27% | 0.274 | C | S | . | . | S | Bend | trans | -69 | 138.1 | -180 | -173.3 | 0 | 0 | 0 | 0 | 111.7 | D421 | D421-S424 WeakPolarHBondContact O-CB 3.39Å; D421-S424 PolarHBondContact O-N 2.86Å |
| 425 | D | 89.1 | Confident | 90.9 | Very high | 77 Ų | 77 | 52.4 Ų | 52.4 | 41% | 0.412 | 27% | 0.268 | S | S | . | . | trans | -54.4 | 130.3 | 174.8 | -174.4 | -24.7 | 0 | 0 | 0 | 110.6 | R427 K428 K429 | D425-R427 PolarHBondContact O-N 3.21Å; D425-R427 VanDerWaalsContact O-N 3.16Å; D425-R427 PolarHBondContact OD1-N 3.45Å; D425-K428 HydrophobicContact CB-CB 4.38Å; D425-K428 HydrophobicContact CB-CD 4.16Å; D425-K428 HydrophobicContact CB-CG 4.09Å; D425-K428 WeakPolarHBondContact O-CB 3.4Å; D425-K428 PolarHBondContact O-N 3.02Å; D425-K429 PolarHBondContact O-N 3.17Å | ||
| 426 | P | 90.4 | Very high | 91 | Very high | 55 Ų | 55 | 52.6 Ų | 52.6 | 36% | 0.357 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -48.1 | -38.2 | 174.2 | -29.8 | 36.6 | 0 | 0 | 0 | 114.1 | K428 K429 D430 L469 Y471 M472 | P426-K428 VanDerWaalsContact C-N 3.3Å; P426-K428 PolarHBondContact O-N 3.06Å; P426-K429 WeakPolarHBondContact O-CB 3.22Å; P426-K429 PolarHBondContact O-N 2.87Å; P426-K429 VanDerWaalsContact O-N 3.1Å; P426-D430 PolarHBondContact O-N 3.01Å; P426-L469 HydrophobicContact CB-CD1 3.74Å; P426-L469 HydrophobicContact CG-CD1 4.03Å; P426-Y471 WeakPolarHBondContact CB-OH 3.46Å; P426-M472 HydrophobicContact CB-SD 4.31Å; P426-M472 VanDerWaalsContact O-SD 3.35Å |
| 427 | R | 92.3 | Very high | 91 | Very high | 60 Ų | 60 | 45.7 Ų | 45.7 | 23% | 0.226 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.9 | -34.1 | 177.4 | -66.4 | -179 | 171.7 | -179.9 | -0.8 | 113 | Y360 D362 D425 D430 G431 | Y360-R427 HydrophobicContact CD1-CG 4.48Å; Y360-R427 WeakPolarHBondContact O-CD 3.43Å; D362-R427 IonicContact OD1-CZ 2.87Å; D362-R427 IonicContact OD1-NH1 3.66Å; D362-R427 PolarHBondContact OD1-NH1 2.93Å; D362-R427 IonicContact OD1-NH2 2.92Å; D362-R427 PolarHBondContact OD1-NH2 3.35Å; D362-R427 IonicContact OD2-NH1 2.64Å; D425-R427 PolarHBondContact O-N 3.21Å; D425-R427 VanDerWaalsContact O-N 3.16Å; D425-R427 PolarHBondContact OD1-N 3.45Å; R427-D430 WeakPolarHBondContact O-CB 3.16Å; R427-D430 PolarHBondContact O-N 2.98Å; R427-G431 PolarHBondContact O-N 3.15Å |
| 428 | K | 92.6 | Very high | 91 | Very high | 104 Ų | 104 | 39.8 Ų | 39.8 | 45% | 0.452 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -71.4 | -33.1 | 174 | -68.4 | -178.9 | -178.1 | 179.5 | 0 | 112 | F355 I418 D425 P426 A432 | F355-K428 HydrophobicContact CE1-CG 4.33Å; F355-K428 HydrophobicContact CZ-CB 4.01Å; F355-K428 HydrophobicContact CZ-CG 4.29Å; F355-K428 WeakPolarHBondContact CZ-O 3.47Å; I418-K428 HydrophobicContact CG2-CB 4.03Å; I418-K428 WeakPolarHBondContact CG2-O 3.4Å; D425-K428 HydrophobicContact CB-CB 4.38Å; D425-K428 HydrophobicContact CB-CD 4.16Å; D425-K428 HydrophobicContact CB-CG 4.09Å; D425-K428 WeakPolarHBondContact O-CB 3.4Å; D425-K428 PolarHBondContact O-N 3.02Å; P426-K428 VanDerWaalsContact C-N 3.3Å; P426-K428 PolarHBondContact O-N 3.06Å; K428-A432 WeakPolarHBondContact O-CB 3.49Å; K428-A432 PolarHBondContact O-N 3.42Å |
| 429 | K | 92.5 | Very high | 91 | Very high | 47 Ų | 47 | 38.9 Ų | 38.9 | 20% | 0.204 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -68.4 | -40.5 | 174.2 | -66.3 | -175.9 | -179.5 | 179.9 | 0 | 111.1 | L419 D421 D425 P426 A432 L433 M472 | L419-K429 HydrophobicContact CD2-CB 4.46Å; D421-K429 WeakPolarHBondContact O-CE 3.4Å; D421-K429 PolarHBondContact O-NZ 2.99Å; D425-K429 PolarHBondContact O-N 3.17Å; P426-K429 WeakPolarHBondContact O-CB 3.22Å; P426-K429 PolarHBondContact O-N 2.87Å; P426-K429 VanDerWaalsContact O-N 3.1Å; K429-A432 PolarHBondContact O-N 2.96Å; K429-L433 WeakPolarHBondContact O-CG 3.48Å; K429-L433 PolarHBondContact O-N 2.73Å; K429-M472 HydrophobicContact CB-CE 4.14Å |
| 430 | D | 93.9 | Very high | 91 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -55.7 | -54.7 | 170.4 | 168.8 | 71.2 | 0 | 0 | 0 | 111.4 | Y360 P426 R427 A432 L433 H434 Y471 M472 R475 | Y360-D430 PolarHBondContact N-OD2 3.12Å; P426-D430 PolarHBondContact O-N 3.01Å; R427-D430 WeakPolarHBondContact O-CB 3.16Å; R427-D430 PolarHBondContact O-N 2.98Å; D430-A432 VanDerWaalsContact C-N 3.27Å; D430-A432 PolarHBondContact O-N 2.92Å; D430-L433 WeakPolarHBondContact O-CB 2.83Å; D430-L433 PolarHBondContact O-N 2.71Å; D430-L433 VanDerWaalsContact O-N 3.07Å; D430-H434 WeakPolarHBondContact O-CB 3.23Å; D430-H434 PolarHBondContact O-N 2.87Å; D430-Y471 HydrophobicContact CB-CD2 4.41Å; D430-Y471 HydrophobicContact CB-CE2 4.2Å; D430-M472 HydrophobicContact CB-SD 3.8Å; D430-R475 VanDerWaalsContact OD1-CB 3.32Å; D430-R475 WeakPolarHBondContact OD1-CB 3.22Å; D430-R475 WeakPolarHBondContact OD1-CG 3.41Å; D430-R475 IonicContact OD1-CZ 3.54Å; D430-R475 IonicContact OD1-NE 3.08Å; D430-R475 PolarHBondContact OD1-NE 3.46Å; D430-R475 IonicContact OD1-NH2 3.98Å |
| 431 | G | 93.8 | Very high | 91 | Very high | 0 Ų | 0 | 39.5 Ų | 39.5 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.7 | -35.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | M358 R427 H434 M435 | M358-G431 WeakPolarHBondContact O-CA 3.49Å; R427-G431 PolarHBondContact O-N 3.15Å; G431-H434 PolarHBondContact O-N 2.77Å; G431-M435 WeakPolarHBondContact O-CG 3.15Å; G431-M435 PolarHBondContact O-N 3.31Å |
| 432 | A | 95.6 | Very high | 90.9 | Very high | 0 Ų | 0 | 36.3 Ų | 36.3 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.1 | -38.4 | 177.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | F355 C415 I418 L419 K428 K429 D430 I436 | F355-A432 HydrophobicContact CE2-CB 4.21Å; C415-A432 HydrophobicContact CB-CB 4.28Å; I418-A432 HydrophobicContact CB-CB 4.28Å; I418-A432 HydrophobicContact CG2-CB 4.05Å; L419-A432 HydrophobicContact CD2-CB 4.09Å; L419-A432 HydrophobicContact CG-CB 4.23Å; K428-A432 WeakPolarHBondContact O-CB 3.49Å; K428-A432 PolarHBondContact O-N 3.42Å; K429-A432 PolarHBondContact O-N 2.96Å; D430-A432 VanDerWaalsContact C-N 3.27Å; D430-A432 PolarHBondContact O-N 2.92Å; A432-I436 WeakPolarHBondContact O-CD1 3.49Å; A432-I436 VanDerWaalsContact O-CG1 3.23Å; A432-I436 WeakPolarHBondContact O-CG1 3.08Å; A432-I436 PolarHBondContact O-N 3.04Å; A432-I436 VanDerWaalsContact O-N 3.1Å |
| 433 | L | 94.8 | Very high | 91.6 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -70.6 | -37.4 | 174.5 | -74 | 175.9 | 0 | 0 | 0 | 112.2 | L419 K429 D430 I436 G437 V461 L464 R475 V479 | L419-L433 HydrophobicContact CD1-CD2 4.24Å; L419-L433 HydrophobicContact CD2-CD2 4.14Å; L419-L433 HydrophobicContact CD2-CG 4.03Å; K429-L433 WeakPolarHBondContact O-CG 3.48Å; K429-L433 PolarHBondContact O-N 2.73Å; D430-L433 WeakPolarHBondContact O-CB 2.83Å; D430-L433 PolarHBondContact O-N 2.71Å; D430-L433 VanDerWaalsContact O-N 3.07Å; L433-I436 PolarHBondContact O-N 3.38Å; L433-G437 PolarHBondContact O-N 3.46Å; L433-V461 HydrophobicContact CD2-CG2 4.04Å; L433-L464 HydrophobicContact CD1-CD1 3.27Å; L433-R475 HydrophobicContact CB-CG 3.97Å; L433-R475 HydrophobicContact CD1-CG 4.38Å; L433-V479 HydrophobicContact CB-CG2 3.91Å; L433-V479 HydrophobicContact CD2-CG2 4.45Å |
| 434 | H | 94.5 | Very high | 91.8 | Very high | 18 Ų | 18 | 23.9 Ų | 23.9 | 8% | 0.083 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.1 | -46.7 | 173.9 | -168.5 | -176.7 | 0 | 0 | 0 | 111.1 | M358 D430 G431 I436 G437 S438 R475 W478 | M358-H434 HydrophobicContact CB-CB 4.46Å; M358-H434 HydrophobicContact CE-CB 4.2Å; M358-H434 PolarHBondContact O-ND1 3.4Å; D430-H434 WeakPolarHBondContact O-CB 3.23Å; D430-H434 PolarHBondContact O-N 2.87Å; G431-H434 PolarHBondContact O-N 2.77Å; H434-I436 PolarHBondContact O-N 3.43Å; H434-G437 PolarHBondContact O-N 2.85Å; H434-S438 WeakPolarHBondContact O-CB 3.3Å; H434-S438 PolarHBondContact O-N 3.27Å; H434-S438 PolarHBondContact O-OG 3.44Å; H434-R475 PolarHBondContact CD2-NH1 3.44Å; H434-R475 VanDerWaalsContact CD2-NH1 3.32Å; H434-R475 PolarHBondContact ND1-NH2 3.07Å; H434-W478 AromaticContact CD2-CH2 3.54Å; H434-W478 AromaticContact CD2-CZ2 3.88Å; H434-W478 AromaticContact CD2-CZ3 4Å |
| 435 | M | 95.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.7 | -42.9 | 173.3 | -72.8 | -174.1 | 79.7 | 0 | 0 | 112.7 | I350 F355 M358 L397 T411 G431 L439 | I350-M435 HydrophobicContact CG2-CE 3.53Å; F355-M435 HydrophobicContact CB-SD 3.95Å; F355-M435 HydrophobicContact CD2-CG 4.42Å; F355-M435 HydrophobicContact CD2-SD 3.52Å; F355-M435 VanDerWaalsContact CD2-SD 3.52Å; F355-M435 HydrophobicContact CE2-SD 4.49Å; F355-M435 HydrophobicContact CG-SD 4.2Å; M358-M435 HydrophobicContact CE-CG 4.1Å; M358-M435 HydrophobicContact SD-CB 4.5Å; M358-M435 HydrophobicContact SD-CG 3.55Å; M358-M435 VanDerWaalsContact SD-CG 3.55Å; L397-M435 HydrophobicContact CD1-CE 3.54Å; L397-M435 HydrophobicContact CD2-CB 3.9Å; L397-M435 HydrophobicContact CD2-CE 3.67Å; L397-M435 HydrophobicContact CD2-CG 3.81Å; L397-M435 HydrophobicContact CG-CE 4.26Å; T411-M435 HydrophobicContact CG2-CE 3.5Å; T411-M435 VanDerWaalsContact CG2-CE 3.5Å; G431-M435 WeakPolarHBondContact O-CG 3.15Å; G431-M435 PolarHBondContact O-N 3.31Å; M435-L439 VanDerWaalsContact O-CG 3.26Å; M435-L439 WeakPolarHBondContact O-CG 3.45Å; M435-L439 PolarHBondContact O-N 3.05Å |
| 436 | I | 94.5 | Very high | 91.7 | Very high | 4 Ų | 4 | 27 Ų | 27 | 2% | 0.021 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -67.8 | -45.4 | -178.8 | -70 | 165.8 | 0 | 0 | 0 | 111.2 | M412 C415 L419 A432 L433 H434 S438 L439 A440 L443 M456 F483 | M412-I436 HydrophobicContact CE-CD1 4.45Å; M412-I436 HydrophobicContact CE-CG1 4.07Å; M412-I436 HydrophobicContact CE-CG2 4.49Å; M412-I436 HydrophobicContact SD-CG1 4.2Å; C415-I436 HydrophobicContact CB-CD1 3.85Å; C415-I436 HydrophobicContact CB-CG1 4.01Å; L419-I436 HydrophobicContact CD1-CD1 3.6Å; A432-I436 WeakPolarHBondContact O-CD1 3.49Å; A432-I436 VanDerWaalsContact O-CG1 3.23Å; A432-I436 WeakPolarHBondContact O-CG1 3.08Å; A432-I436 PolarHBondContact O-N 3.04Å; A432-I436 VanDerWaalsContact O-N 3.1Å; L433-I436 PolarHBondContact O-N 3.38Å; H434-I436 PolarHBondContact O-N 3.43Å; I436-S438 VanDerWaalsContact C-N 3.33Å; I436-L439 CarbonylContact O-C 3.56Å; I436-L439 PolarHBondContact O-N 3.27Å; I436-L439 VanDerWaalsContact O-N 3.1Å; I436-A440 PolarHBondContact O-N 3.15Å; I436-L443 HydrophobicContact CG2-CD1 4.15Å; I436-M456 HydrophobicContact CG2-CE 3.76Å; I436-F483 HydrophobicContact CG2-CE2 3.83Å; I436-F483 HydrophobicContact CG2-CZ 3.73Å |
| 437 | G | 92.4 | Very high | 91.3 | Very high | 0 Ų | 0 | 31.7 Ų | 31.7 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -65.4 | -36.2 | 177 | 0 | 0 | 0 | 0 | 0 | 112.6 | L433 H434 L439 A440 | L433-G437 PolarHBondContact O-N 3.46Å; H434-G437 PolarHBondContact O-N 2.85Å; G437-L439 PolarHBondContact O-N 2.86Å; G437-L439 VanDerWaalsContact O-N 3.11Å; G437-A440 WeakPolarHBondContact O-CB 3.49Å; G437-A440 PolarHBondContact O-N 3Å |
| 438 | S | 93 | Very high | 90.9 | Very high | 8 Ų | 8 | 34.9 Ų | 34.9 | 6% | 0.056 | 16% | 0.16 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -19.6 | 172.9 | -61.5 | 0 | 0 | 0 | 0 | 113.6 | M358 F398 H434 I436 | M358-S438 VanDerWaalsContact CE-OG 3.26Å; M358-S438 WeakPolarHBondContact CE-OG 3.46Å; F398-S438 WeakPolarHBondContact CD2-O 3.43Å; H434-S438 WeakPolarHBondContact O-CB 3.3Å; H434-S438 PolarHBondContact O-N 3.27Å; H434-S438 PolarHBondContact O-OG 3.44Å; I436-S438 VanDerWaalsContact C-N 3.33Å |
| 439 | L | 93.1 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 15% | 0.146 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -103.9 | 8 | 178.7 | -65.8 | 173.8 | 0 | 0 | 0 | 112.1 | L397 C401 L408 T411 M435 I436 G437 E441 I442 L443 | L397-L439 HydrophobicContact CD1-CD1 4.43Å; L397-L439 HydrophobicContact CD2-CD1 4.38Å; L397-L439 HydrophobicContact CD2-CG 4.34Å; L397-L439 HydrophobicContact CG-CD1 4.36Å; L397-L439 HydrophobicContact CG-CD2 4.14Å; L397-L439 HydrophobicContact CG-CG 4.33Å; C401-L439 HydrophobicContact CB-CD2 3.58Å; L408-L439 HydrophobicContact CD1-CD1 4.17Å; T411-L439 HydrophobicContact CG2-CD1 4.31Å; M435-L439 VanDerWaalsContact O-CG 3.26Å; M435-L439 WeakPolarHBondContact O-CG 3.45Å; M435-L439 PolarHBondContact O-N 3.05Å; I436-L439 CarbonylContact O-C 3.56Å; I436-L439 PolarHBondContact O-N 3.27Å; I436-L439 VanDerWaalsContact O-N 3.1Å; G437-L439 PolarHBondContact O-N 2.86Å; G437-L439 VanDerWaalsContact O-N 3.11Å; L439-E441 PolarHBondContact O-N 2.94Å; L439-I442 HydrophobicContact CD2-CD1 3.81Å; L439-I442 PolarHBondContact O-N 3.18Å; L439-L443 HydrophobicContact CB-CD1 4.02Å; L439-L443 HydrophobicContact CB-CG 4.24Å; L439-L443 WeakPolarHBondContact O-CB 3.36Å; L439-L443 WeakPolarHBondContact O-CG 3.4Å; L439-L443 PolarHBondContact O-N 3.31Å |
| 440 | A | 91 | Very high | 90.1 | Very high | 2 Ų | 2 | 34.4 Ų | 34.4 | 2% | 0.017 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -55.6 | -51 | -171.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | I436 G437 I442 L443 L444 Y482 F483 | I436-A440 PolarHBondContact O-N 3.15Å; G437-A440 WeakPolarHBondContact O-CB 3.49Å; G437-A440 PolarHBondContact O-N 3Å; A440-I442 VanDerWaalsContact C-N 3.34Å; A440-I442 PolarHBondContact O-N 3.33Å; A440-L443 CarbonylContact O-C 3.59Å; A440-L443 WeakPolarHBondContact O-CA 3.43Å; A440-L443 WeakPolarHBondContact O-CB 3.4Å; A440-L443 PolarHBondContact O-N 3.38Å; A440-L444 WeakPolarHBondContact O-CB 3.49Å; A440-L444 WeakPolarHBondContact O-CG 3.29Å; A440-L444 PolarHBondContact O-N 3.4Å; A440-Y482 WeakPolarHBondContact CB-O 3.43Å; A440-F483 HydrophobicContact CB-CD1 4.12Å; A440-F483 HydrophobicContact CB-CD2 4.18Å; A440-F483 HydrophobicContact CB-CE1 3.82Å; A440-F483 HydrophobicContact CB-CE2 3.91Å; A440-F483 HydrophobicContact CB-CG 4.29Å; A440-F483 HydrophobicContact CB-CZ 3.71Å |
| 441 | E | 89.3 | Confident | 89.6 | Confident | 91 Ų | 91 | 39.2 Ų | 39.2 | 43% | 0.425 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -51.6 | -49.9 | 178.4 | -166.7 | -157.6 | 139.3 | 0 | 0 | 112.2 | F398 L439 L443 L444 K445 | F398-E441 HydrophobicContact CE2-CB 4.3Å; F398-E441 WeakPolarHBondContact CZ-OE2 3.36Å; L439-E441 PolarHBondContact O-N 2.94Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 3.38Å; E441-L444 PolarHBondContact O-N 3.23Å; E441-K445 WeakPolarHBondContact O-CG 3.33Å; E441-K445 PolarHBondContact O-N 3.14Å; E441-K445 IonicContact OE1-NZ 2.78Å; E441-K445 PolarHBondContact OE1-NZ 3.2Å |
| 442 | I | 89.3 | Confident | 89.2 | Confident | 3 Ų | 3 | 44.5 Ų | 44.5 | 2% | 0.015 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -64.2 | -39.9 | 178.8 | -57.7 | 163.9 | 0 | 0 | 0 | 111.1 | F398 C401 N402 L408 L439 A440 L444 K446 | F398-I442 HydrophobicContact CD1-CD1 4.47Å; F398-I442 HydrophobicContact CD2-CD1 3.57Å; F398-I442 HydrophobicContact CD2-CG1 4.15Å; F398-I442 HydrophobicContact CE1-CD1 4.49Å; F398-I442 HydrophobicContact CE2-CD1 3.61Å; F398-I442 HydrophobicContact CE2-CG1 3.66Å; F398-I442 HydrophobicContact CG-CD1 4.03Å; F398-I442 HydrophobicContact CZ-CD1 4.09Å; F398-I442 HydrophobicContact CZ-CG1 4.01Å; C401-I442 HydrophobicContact CB-CD1 4.2Å; N402-I442 HydrophobicContact CB-CD1 3.72Å; N402-I442 HydrophobicContact CB-CG1 4.17Å; L408-I442 HydrophobicContact CD2-CG2 3.94Å; L439-I442 HydrophobicContact CD2-CD1 3.81Å; L439-I442 PolarHBondContact O-N 3.18Å; A440-I442 VanDerWaalsContact C-N 3.34Å; A440-I442 PolarHBondContact O-N 3.33Å; I442-L444 VanDerWaalsContact C-N 3.34Å; I442-K446 PolarHBondContact O-N 3.39Å |
| 443 | L | 89.6 | Confident | 88.9 | Confident | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -69.7 | -32.7 | -179.7 | -68.7 | 170.3 | 0 | 0 | 0 | 111.9 | L408 M412 I436 L439 A440 E441 K446 Y449 K450 M453 F483 | L408-L443 HydrophobicContact CD1-CD2 4.02Å; M412-L443 HydrophobicContact CE-CD1 4.07Å; M412-L443 HydrophobicContact CE-CD2 4.16Å; M412-L443 HydrophobicContact CG-CD2 4.15Å; M412-L443 HydrophobicContact SD-CD1 4.07Å; M412-L443 HydrophobicContact SD-CD2 4.01Å; I436-L443 HydrophobicContact CG2-CD1 4.15Å; L439-L443 HydrophobicContact CB-CD1 4.02Å; L439-L443 HydrophobicContact CB-CG 4.24Å; L439-L443 WeakPolarHBondContact O-CB 3.36Å; L439-L443 WeakPolarHBondContact O-CG 3.4Å; L439-L443 PolarHBondContact O-N 3.31Å; A440-L443 CarbonylContact O-C 3.59Å; A440-L443 WeakPolarHBondContact O-CA 3.43Å; A440-L443 WeakPolarHBondContact O-CB 3.4Å; A440-L443 PolarHBondContact O-N 3.38Å; E441-L443 VanDerWaalsContact C-N 3.34Å; E441-L443 PolarHBondContact O-N 3.38Å; L443-K446 PolarHBondContact O-N 2.84Å; L443-Y449 HydrophobicContact CD2-CD1 3.86Å; L443-Y449 HydrophobicContact CD2-CD2 3.93Å; L443-Y449 HydrophobicContact CD2-CE1 4.43Å; L443-Y449 HydrophobicContact CD2-CE2 4.49Å; L443-Y449 HydrophobicContact CD2-CG 3.58Å; L443-K450 PolarHBondContact O-N 2.89Å; L443-M453 HydrophobicContact CB-SD 4.36Å; L443-M453 HydrophobicContact CD1-SD 4.23Å; L443-F483 HydrophobicContact CB-CE1 4.47Å; L443-F483 HydrophobicContact CD1-CE1 4.39Å; L443-F483 HydrophobicContact CD1-CZ 3.98Å |
| 444 | L | 87.1 | Confident | 88.6 | Confident | 11 Ų | 11 | 45.7 Ų | 45.7 | 6% | 0.058 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -76.8 | -33.6 | 179.3 | -67.6 | 173.1 | 0 | 0 | 0 | 112.6 | A440 E441 I442 K446 K450 F483 E485 V486 | A440-L444 WeakPolarHBondContact O-CB 3.49Å; A440-L444 WeakPolarHBondContact O-CG 3.29Å; A440-L444 PolarHBondContact O-N 3.4Å; E441-L444 PolarHBondContact O-N 3.23Å; I442-L444 VanDerWaalsContact C-N 3.34Å; L444-K446 VanDerWaalsContact C-N 3.32Å; L444-K450 WeakPolarHBondContact O-CD 3.23Å; L444-F483 HydrophobicContact CD2-CD1 4.18Å; L444-F483 HydrophobicContact CG-CD1 4.42Å; L444-E485 HydrophobicContact CD1-CB 3.97Å; L444-V486 HydrophobicContact CD2-CB 4.49Å; L444-V486 HydrophobicContact CD2-CG2 3.38Å |
| 445 | K | 86.3 | Confident | 88.4 | Confident | 112 Ų | 112 | 51.2 Ų | 51.2 | 49% | 0.487 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -64.7 | -34 | 170.5 | -71.8 | 175.3 | 174.2 | 175.9 | 0 | 111.9 | E441 D897 | E441-K445 WeakPolarHBondContact O-CG 3.33Å; E441-K445 PolarHBondContact O-N 3.14Å; E441-K445 IonicContact OE1-NZ 2.78Å; E441-K445 PolarHBondContact OE1-NZ 3.2Å; K445-D897 IonicContact NZ-OD2 2.68Å |
| 446 | K | 84.5 | Confident | 88.2 | Confident | 49 Ų | 49 | 52.1 Ų | 52.1 | 21% | 0.213 | 24% | 0.242 | C | C | . | . | S | Bend | trans | -91 | 109 | -176.3 | -68 | -176 | -171.7 | -175.6 | 0 | 113.7 | L408 I442 L443 L444 I448 Y449 K450 E901 | L408-K446 HydrophobicContact CD2-CD 3.68Å; I442-K446 PolarHBondContact O-N 3.39Å; L443-K446 PolarHBondContact O-N 2.84Å; L444-K446 VanDerWaalsContact C-N 3.32Å; K446-I448 VanDerWaalsContact C-N 3.27Å; K446-I448 PolarHBondContact O-N 3.06Å; K446-Y449 HydrophobicContact CB-CD2 3.9Å; K446-Y449 HydrophobicContact CD-CD2 4.45Å; K446-Y449 PolarHBondContact O-N 3.45Å; K446-K450 PolarHBondContact O-N 2.83Å; K446-E901 IonicContact NZ-OE1 2.65Å; K446-E901 PolarHBondContact NZ-OE1 3.03Å |
| 447 | K | 81.8 | Confident | 88.1 | Confident | 153 Ų | 153 | 52 Ų | 52 | 67% | 0.665 | 24% | 0.241 | S | C | * | . | H | α-helix | trans | -44.8 | -41 | -179.7 | -68.3 | 175.5 | -178.7 | 157.9 | 0 | 115.2 | Y449 D451 | K447-Y449 VanDerWaalsContact C-N 3.28Å; K447-Y449 PolarHBondContact O-N 3.44Å; K447-D451 PolarHBondContact O-N 3.26Å |
| 448 | I | 83.8 | Confident | 88.1 | Confident | 127 Ų | 127 | 55.8 Ų | 55.8 | 65% | 0.651 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -60.8 | -37.4 | -179.5 | -60.8 | 173.7 | 0 | 0 | 0 | 112 | K446 Q452 | K446-I448 VanDerWaalsContact C-N 3.27Å; K446-I448 PolarHBondContact O-N 3.06Å; I448-Q452 PolarHBondContact O-NE2 3.06Å |
| 449 | Y | 85.4 | Confident | 88 | Confident | 42 Ų | 42 | 58.8 Ų | 58.8 | 17% | 0.165 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -89.6 | -42.9 | -178.4 | -65.1 | -71.5 | 0 | 0 | 0 | 111.2 | L408 M412 L443 K446 K447 D451 Q452 M453 | L408-Y449 HydrophobicContact CD2-CD2 4.31Å; L408-Y449 HydrophobicContact CD2-CE2 3.77Å; L408-Y449 HydrophobicContact CG-CE2 4.26Å; M412-Y449 HydrophobicContact CB-CE1 4.32Å; M412-Y449 HydrophobicContact CG-CE1 4.12Å; L443-Y449 HydrophobicContact CD2-CD1 3.86Å; L443-Y449 HydrophobicContact CD2-CD2 3.93Å; L443-Y449 HydrophobicContact CD2-CE1 4.43Å; L443-Y449 HydrophobicContact CD2-CE2 4.49Å; L443-Y449 HydrophobicContact CD2-CG 3.58Å; K446-Y449 HydrophobicContact CB-CD2 3.9Å; K446-Y449 HydrophobicContact CD-CD2 4.45Å; K446-Y449 PolarHBondContact O-N 3.45Å; K447-Y449 VanDerWaalsContact C-N 3.28Å; K447-Y449 PolarHBondContact O-N 3.44Å; Y449-D451 VanDerWaalsContact C-N 3.26Å; Y449-D451 PolarHBondContact O-N 2.94Å; Y449-D451 VanDerWaalsContact O-N 3.15Å; Y449-Q452 WeakPolarHBondContact O-CA 3.26Å; Y449-Q452 PolarHBondContact O-N 3.3Å; Y449-M453 VanDerWaalsContact O-CE 3.27Å; Y449-M453 WeakPolarHBondContact O-CE 3.45Å; Y449-M453 WeakPolarHBondContact O-CG 3.31Å; Y449-M453 PolarHBondContact O-N 3.24Å |
| 450 | K | 83.6 | Confident | 88 | Confident | 99 Ų | 99 | 60.8 Ų | 60.8 | 43% | 0.43 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -44.5 | -49.3 | 178.9 | -167.5 | 177.9 | -165.5 | 153.2 | 0 | 112.8 | L443 L444 K446 Q452 M453 | L443-K450 PolarHBondContact O-N 2.89Å; L444-K450 WeakPolarHBondContact O-CD 3.23Å; K446-K450 PolarHBondContact O-N 2.83Å; K450-Q452 PolarHBondContact O-N 3.4Å; K450-M453 PolarHBondContact O-N 3.08Å |
| 451 | D | 82.4 | Confident | 88.1 | Confident | 104 Ų | 104 | 60.7 Ų | 60.7 | 56% | 0.556 | 28% | 0.283 | S | S | * | . | H | α-helix | trans | -67 | -20.5 | -178.8 | -81.7 | -29.8 | 0 | 0 | 0 | 115 | K447 Y449 K489 | K447-D451 PolarHBondContact O-N 3.26Å; Y449-D451 VanDerWaalsContact C-N 3.26Å; Y449-D451 PolarHBondContact O-N 2.94Å; Y449-D451 VanDerWaalsContact O-N 3.15Å; D451-K489 IonicContact OD1-NZ 3.17Å; D451-K489 PolarHBondContact OD1-NZ 3.3Å |
| 452 | Q | 86.2 | Confident | 88.4 | Confident | 111 Ų | 111 | 57.1 Ų | 57.1 | 52% | 0.519 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -97.6 | -12.1 | -178 | -62.4 | 179.6 | 51.5 | 0 | 0 | 112.8 | I448 Y449 K450 F455 M456 | I448-Q452 PolarHBondContact O-NE2 3.06Å; Y449-Q452 WeakPolarHBondContact O-CA 3.26Å; Y449-Q452 PolarHBondContact O-N 3.3Å; K450-Q452 PolarHBondContact O-N 3.4Å; Q452-F455 PolarHBondContact O-N 3.4Å; Q452-M456 PolarHBondContact O-N 3.39Å |
| 453 | M | 88.4 | Confident | 88.6 | Confident | 7 Ų | 7 | 60.4 Ų | 60.4 | 3% | 0.034 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -65 | -43.1 | -174.9 | -67.3 | -54.6 | 94.9 | 0 | 0 | 112 | L443 Y449 K450 F455 M456 L457 F483 V486 | L443-M453 HydrophobicContact CB-SD 4.36Å; L443-M453 HydrophobicContact CD1-SD 4.23Å; Y449-M453 VanDerWaalsContact O-CE 3.27Å; Y449-M453 WeakPolarHBondContact O-CE 3.45Å; Y449-M453 WeakPolarHBondContact O-CG 3.31Å; Y449-M453 PolarHBondContact O-N 3.24Å; K450-M453 PolarHBondContact O-N 3.08Å; M453-F455 VanDerWaalsContact C-N 3.26Å; M453-F455 PolarHBondContact O-N 3.11Å; M453-M456 WeakPolarHBondContact O-CA 3.48Å; M453-M456 WeakPolarHBondContact O-CB 3.37Å; M453-M456 PolarHBondContact O-N 2.74Å; M453-M456 HydrophobicContact SD-CE 4.23Å; M453-L457 WeakPolarHBondContact O-CG 3.5Å; M453-L457 PolarHBondContact O-N 2.93Å; M453-F483 HydrophobicContact CB-CD1 4.31Å; M453-F483 HydrophobicContact CB-CE1 4.39Å; M453-F483 HydrophobicContact CG-CD1 4.16Å; M453-F483 HydrophobicContact CG-CE1 3.8Å; M453-F483 HydrophobicContact SD-CD1 4.35Å; M453-F483 HydrophobicContact SD-CE1 3.52Å; M453-F483 VanDerWaalsContact SD-CE1 3.52Å; M453-F483 HydrophobicContact SD-CZ 3.96Å; M453-V486 HydrophobicContact CB-CG1 4.48Å; M453-V486 HydrophobicContact CB-CG2 3.99Å |
| 454 | E | 89.1 | Confident | 88.8 | Confident | 19 Ų | 19 | 61.8 Ų | 61.8 | 9% | 0.089 | 30% | 0.295 | C | S | . | . | H | α-helix | trans | -57.4 | -40.8 | 175.9 | -176.5 | 178 | 175.6 | 0 | 0 | 112 | L457 Q458 V486 F488 K489 S490 N493 | E454-L457 PolarHBondContact O-N 2.88Å; E454-Q458 WeakPolarHBondContact O-CB 3.3Å; E454-Q458 PolarHBondContact O-N 3.41Å; E454-V486 HydrophobicContact CB-CG1 4.43Å; E454-F488 HydrophobicContact CG-CD1 3.94Å; E454-F488 HydrophobicContact CG-CE1 4.45Å; E454-K489 PolarHBondContact OE1-N 3.11Å; E454-K489 VanDerWaalsContact OE2-CB 3.29Å; E454-K489 WeakPolarHBondContact OE2-CB 3.21Å; E454-K489 PolarHBondContact OE2-N 2.93Å; E454-S490 WeakPolarHBondContact OE1-CB 3.13Å; E454-S490 PolarHBondContact OE1-N 3.13Å; E454-N493 PolarHBondContact OE1-ND2 3.04Å |
| 455 | F | 89.8 | Confident | 89.1 | Confident | 133 Ų | 133 | 61.9 Ų | 61.9 | 58% | 0.583 | 30% | 0.295 | S | S | * | . | H | α-helix | trans | -67.7 | -35.8 | 176.5 | -177.7 | -95.8 | 0 | 0 | 0 | 112.2 | Q452 M453 N459 | Q452-F455 PolarHBondContact O-N 3.4Å; M453-F455 VanDerWaalsContact C-N 3.26Å; M453-F455 PolarHBondContact O-N 3.11Å; F455-N459 WeakPolarHBondContact CD1-ND2 3.45Å; F455-N459 WeakPolarHBondContact CD2-ND2 3.43Å; F455-N459 WeakPolarHBondContact CE1-ND2 3.27Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.47Å; F455-N459 WeakPolarHBondContact CG-ND2 3.44Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.28Å; F455-N459 WeakPolarHBondContact O-CB 3.28Å; F455-N459 PolarHBondContact O-N 3.33Å; F455-N459 VanDerWaalsContact O-N 3.1Å; F455-N459 PolarHBondContact O-ND2 2.97Å |
| 456 | M | 92.1 | Very high | 89.4 | Confident | 20 Ų | 20 | 66.8 Ų | 66.8 | 10% | 0.099 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 175 | -175.5 | -80.5 | -67.8 | 0 | 0 | 111 | I436 Q452 M453 Q458 N459 H460 V461 F483 | I436-M456 HydrophobicContact CG2-CE 3.76Å; Q452-M456 PolarHBondContact O-N 3.39Å; M453-M456 WeakPolarHBondContact O-CA 3.48Å; M453-M456 WeakPolarHBondContact O-CB 3.37Å; M453-M456 PolarHBondContact O-N 2.74Å; M453-M456 HydrophobicContact SD-CE 4.23Å; M456-Q458 VanDerWaalsContact C-N 3.33Å; M456-Q458 PolarHBondContact O-N 2.81Å; M456-N459 PolarHBondContact O-N 3.38Å; M456-H460 WeakPolarHBondContact O-CB 3.17Å; M456-H460 PolarHBondContact O-N 3.13Å; M456-V461 HydrophobicContact SD-CG2 3.93Å; M456-F483 HydrophobicContact CE-CE2 4.09Å; M456-F483 HydrophobicContact CE-CZ 4.22Å |
| 457 | L | 92.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 65.9 Ų | 65.9 | 0% | 0 | 31% | 0.31 | C | S | . | . | I | π-helix | trans | -57.2 | -47.4 | 175.9 | -65.2 | 179.9 | 0 | 0 | 0 | 111 | M453 E454 N459 V461 F462 V479 L480 F483 F488 | M453-L457 WeakPolarHBondContact O-CG 3.5Å; M453-L457 PolarHBondContact O-N 2.93Å; E454-L457 PolarHBondContact O-N 2.88Å; L457-N459 PolarHBondContact O-N 2.88Å; L457-V461 HydrophobicContact CD2-CB 4.23Å; L457-V461 HydrophobicContact CD2-CG2 3.83Å; L457-V461 CarbonylContact O-C 3.57Å; L457-V461 WeakPolarHBondContact O-CA 3.45Å; L457-V461 WeakPolarHBondContact O-CB 3.2Å; L457-V461 PolarHBondContact O-N 3.37Å; L457-F462 HydrophobicContact CB-CE1 4.3Å; L457-F462 PolarHBondContact O-N 3.37Å; L457-V479 HydrophobicContact CD2-CG1 3.9Å; L457-L480 HydrophobicContact CD1-CD2 4.13Å; L457-L480 HydrophobicContact CD2-CD2 4.04Å; L457-F483 HydrophobicContact CD1-CB 4.18Å; L457-F483 HydrophobicContact CD2-CB 4.33Å; L457-F483 HydrophobicContact CD2-CD2 4.43Å; L457-F483 HydrophobicContact CD2-CG 4.49Å; L457-F488 HydrophobicContact CD1-CE1 4.2Å; L457-F488 HydrophobicContact CD1-CZ 4Å |
| 458 | Q | 92.4 | Very high | 90.3 | Very high | 81 Ų | 81 | 67.7 Ų | 67.7 | 38% | 0.379 | 32% | 0.321 | S | S | . | . | I | π-helix | trans | -62.7 | -43.6 | -178.8 | -171.4 | -177.3 | 39.5 | 0 | 0 | 113.3 | E454 M456 F462 N493 | E454-Q458 WeakPolarHBondContact O-CB 3.3Å; E454-Q458 PolarHBondContact O-N 3.41Å; M456-Q458 VanDerWaalsContact C-N 3.33Å; M456-Q458 PolarHBondContact O-N 2.81Å; Q458-F462 HydrophobicContact CB-CD2 4.3Å; Q458-F462 HydrophobicContact CB-CE2 4.35Å; Q458-F462 HydrophobicContact CG-CD2 4.22Å; Q458-F462 HydrophobicContact CG-CE2 4.43Å; Q458-N493 PolarHBondContact NE2-OD1 3.37Å |
| 459 | N | 91.5 | Very high | 90.7 | Very high | 70 Ų | 70 | 64.9 Ų | 64.9 | 37% | 0.374 | 31% | 0.307 | S | S | . | . | I | π-helix | trans | -89.8 | -29.3 | -172.4 | -69.1 | -62.9 | 0 | 0 | 0 | 114.2 | F455 M456 L457 | F455-N459 WeakPolarHBondContact CD1-ND2 3.45Å; F455-N459 WeakPolarHBondContact CD2-ND2 3.43Å; F455-N459 WeakPolarHBondContact CE1-ND2 3.27Å; F455-N459 WeakPolarHBondContact CE2-ND2 3.47Å; F455-N459 WeakPolarHBondContact CG-ND2 3.44Å; F455-N459 WeakPolarHBondContact CZ-ND2 3.28Å; F455-N459 WeakPolarHBondContact O-CB 3.28Å; F455-N459 PolarHBondContact O-N 3.33Å; F455-N459 VanDerWaalsContact O-N 3.1Å; F455-N459 PolarHBondContact O-ND2 2.97Å; M456-N459 PolarHBondContact O-N 3.38Å; L457-N459 PolarHBondContact O-N 2.88Å |
| 460 | H | 91.7 | Very high | 91 | Very high | 42 Ų | 42 | 63.1 Ų | 63.1 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | I | π-helix | trans | -114.6 | -27.3 | -172.6 | -63.1 | -69.4 | 0 | 0 | 0 | 113.6 | L419 M456 L464 | L419-H460 HydrophobicContact CD1-CB 4.49Å; M456-H460 WeakPolarHBondContact O-CB 3.17Å; M456-H460 PolarHBondContact O-N 3.13Å; H460-L464 VanDerWaalsContact O-CD1 3.26Å; H460-L464 WeakPolarHBondContact O-CD1 3.35Å; H460-L464 VanDerWaalsContact O-CG 3.32Å; H460-L464 WeakPolarHBondContact O-CG 3.35Å |
| 461 | V | 94.1 | Very high | 91.5 | Very high | 0 Ų | 0 | 59.1 Ų | 59.1 | 0% | 0 | 28% | 0.283 | C | S | . | . | I | π-helix | trans | -99.1 | -51.5 | -176.2 | -174.8 | 0 | 0 | 0 | 0 | 111.7 | L433 M456 L457 P463 L464 F465 A476 V479 L480 | L433-V461 HydrophobicContact CD2-CG2 4.04Å; M456-V461 HydrophobicContact SD-CG2 3.93Å; L457-V461 HydrophobicContact CD2-CB 4.23Å; L457-V461 HydrophobicContact CD2-CG2 3.83Å; L457-V461 CarbonylContact O-C 3.57Å; L457-V461 WeakPolarHBondContact O-CA 3.45Å; L457-V461 WeakPolarHBondContact O-CB 3.2Å; L457-V461 PolarHBondContact O-N 3.37Å; V461-P463 VanDerWaalsContact C-CD 3.44Å; V461-P463 VanDerWaalsContact C-N 3.35Å; V461-L464 VanDerWaalsContact O-CB 3.31Å; V461-L464 WeakPolarHBondContact O-CB 3.39Å; V461-L464 PolarHBondContact O-N 3.31Å; V461-F465 HydrophobicContact CG1-CE2 4.22Å; V461-A476 HydrophobicContact CG1-CB 3.95Å; V461-V479 HydrophobicContact CG1-CB 4.34Å; V461-V479 HydrophobicContact CG1-CG1 4.4Å; V461-V479 HydrophobicContact CG2-CB 4.5Å; V461-V479 HydrophobicContact CG2-CG1 3.87Å; V461-L480 HydrophobicContact CG1-CD2 4.45Å; V461-L480 HydrophobicContact CG1-CG 4.38Å |
| 462 | F | 95 | Very high | 92.1 | Very high | 17 Ų | 17 | 54.3 Ų | 54.3 | 8% | 0.075 | 26% | 0.257 | C | S | . | . | G | 310 helix | trans | -55 | -39.2 | -179.1 | -66.8 | -4.4 | 0 | 0 | 0 | 114.5 | L457 Q458 L464 F465 L480 F488 N493 T496 A497 L500 | L457-F462 HydrophobicContact CB-CE1 4.3Å; L457-F462 PolarHBondContact O-N 3.37Å; Q458-F462 HydrophobicContact CB-CD2 4.3Å; Q458-F462 HydrophobicContact CB-CE2 4.35Å; Q458-F462 HydrophobicContact CG-CD2 4.22Å; Q458-F462 HydrophobicContact CG-CE2 4.43Å; F462-L464 PolarHBondContact O-N 2.94Å; F462-F465 PolarHBondContact O-N 3.29Å; F462-L480 HydrophobicContact CE1-CD2 4Å; F462-F488 HydrophobicContact CZ-CE1 4.21Å; F462-N493 HydrophobicContact CE2-CB 4.25Å; F462-T496 HydrophobicContact CD2-CG2 3.96Å; F462-T496 HydrophobicContact CE2-CG2 4.18Å; F462-A497 HydrophobicContact CE1-CB 3.86Å; F462-A497 HydrophobicContact CZ-CB 3.89Å; F462-L500 HydrophobicContact CB-CD1 3.89Å; F462-L500 HydrophobicContact CD1-CD1 4.19Å; F462-L500 HydrophobicContact CG-CD1 4.03Å |
| 463 | P | 94.3 | Very high | 92.6 | Very high | 71 Ų | 71 | 50.2 Ų | 50.2 | 46% | 0.461 | 24% | 0.237 | S | C | . | . | G | 310 helix | trans | -63.7 | -25.6 | 176.8 | -24.5 | 36.9 | 0 | 0 | 0 | 113.9 | V461 F465 R466 | V461-P463 VanDerWaalsContact C-CD 3.44Å; V461-P463 VanDerWaalsContact C-N 3.35Å; P463-F465 VanDerWaalsContact C-N 3.3Å; P463-F465 PolarHBondContact O-N 2.96Å; P463-R466 PolarHBondContact O-N 3.4Å |
| 464 | L | 93.6 | Very high | 92.9 | Very high | 30 Ų | 30 | 50 Ų | 50 | 16% | 0.157 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -71.6 | -23.7 | -176.1 | -63.5 | 176.8 | 0 | 0 | 0 | 113.2 | L433 H460 V461 F462 R466 S467 M472 R473 A476 | L433-L464 HydrophobicContact CD1-CD1 3.27Å; H460-L464 VanDerWaalsContact O-CD1 3.26Å; H460-L464 WeakPolarHBondContact O-CD1 3.35Å; H460-L464 VanDerWaalsContact O-CG 3.32Å; H460-L464 WeakPolarHBondContact O-CG 3.35Å; V461-L464 VanDerWaalsContact O-CB 3.31Å; V461-L464 WeakPolarHBondContact O-CB 3.39Å; V461-L464 PolarHBondContact O-N 3.31Å; F462-L464 PolarHBondContact O-N 2.94Å; L464-R466 PolarHBondContact O-N 3.44Å; L464-S467 WeakPolarHBondContact O-CB 3.37Å; L464-S467 PolarHBondContact O-N 3.49Å; L464-M472 HydrophobicContact CD1-CE 3.85Å; L464-M472 HydrophobicContact CD2-CE 3.65Å; L464-M472 HydrophobicContact CG-CE 4.35Å; L464-R473 WeakPolarHBondContact O-CG 3.47Å; L464-A476 HydrophobicContact CB-CB 3.94Å |
| 465 | F | 93.8 | Very high | 93.2 | Very high | 13 Ų | 13 | 50.2 Ų | 50.2 | 6% | 0.057 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -59.9 | -16.6 | 172.2 | -75.1 | -94.5 | 0 | 0 | 0 | 113.4 | V461 F462 P463 R473 A476 C477 L480 L500 | V461-F465 HydrophobicContact CG1-CE2 4.22Å; F462-F465 PolarHBondContact O-N 3.29Å; P463-F465 VanDerWaalsContact C-N 3.3Å; P463-F465 PolarHBondContact O-N 2.96Å; F465-R473 VanDerWaalsContact O-CD 3.31Å; F465-R473 WeakPolarHBondContact O-CD 3.49Å; F465-A476 HydrophobicContact CD2-CB 3.78Å; F465-A476 HydrophobicContact CE2-CB 3.47Å; F465-A476 VanDerWaalsContact CE2-CB 3.47Å; F465-A476 HydrophobicContact CG-CB 4.41Å; F465-A476 HydrophobicContact CZ-CB 3.85Å; F465-C477 WeakPolarHBondContact CE1-SG 3.34Å; F465-L480 HydrophobicContact CE2-CD1 3.81Å; F465-L480 HydrophobicContact CE2-CG 4.43Å; F465-L480 HydrophobicContact CZ-CD1 3.48Å; F465-L480 VanDerWaalsContact CZ-CD1 3.48Å; F465-L480 HydrophobicContact CZ-CG 4.27Å; F465-L500 HydrophobicContact CB-CB 4.27Å; F465-L500 HydrophobicContact CB-CD1 4.22Å; F465-L500 HydrophobicContact CB-CD2 3.85Å; F465-L500 HydrophobicContact CB-CG 4.33Å; F465-L500 HydrophobicContact CD1-CB 3.7Å; F465-L500 HydrophobicContact CD2-CB 4.19Å; F465-L500 HydrophobicContact CD2-CD1 3.87Å; F465-L500 HydrophobicContact CE1-CB 4.04Å; F465-L500 HydrophobicContact CE2-CB 4.49Å; F465-L500 HydrophobicContact CE2-CD1 4.46Å; F465-L500 HydrophobicContact CG-CB 3.79Å; F465-L500 HydrophobicContact CG-CD1 4.04Å; F465-L500 HydrophobicContact CG-CD2 4.3Å; F465-L500 HydrophobicContact CG-CG 4.26Å; F465-L500 HydrophobicContact CZ-CB 4.44Å |
| 466 | R | 92.1 | Very high | 93.5 | Very high | 215 Ų | 215 | 43.9 Ų | 43.9 | 81% | 0.811 | 21% | 0.209 | S | C | * | . | G | 310 helix | trans | -102.1 | 7 | 175.4 | -58.6 | -178.6 | -177.3 | 175.8 | 1.5 | 113.2 | P463 L464 | P463-R466 PolarHBondContact O-N 3.4Å; L464-R466 PolarHBondContact O-N 3.44Å |
| 467 | S | 92.3 | Very high | 93.7 | Very high | 30 Ų | 30 | 42.9 Ų | 42.9 | 21% | 0.21 | 20% | 0.204 | C | C | . | . | trans | -64.2 | 142.4 | 175.7 | 179.6 | 0 | 0 | 0 | 0 | 110.7 | L464 L469 R473 | L464-S467 WeakPolarHBondContact O-CB 3.37Å; L464-S467 PolarHBondContact O-N 3.49Å; S467-L469 PolarHBondContact O-N 2.86Å; S467-L469 PolarHBondContact OG-N 3.36Å; S467-L469 VanDerWaalsContact OG-N 3.13Å; S467-R473 WeakPolarHBondContact O-CD 3.49Å; S467-R473 PolarHBondContact O-NH1 3.25Å | ||
| 468 | E | 91.6 | Very high | 93.8 | Very high | 190 Ų | 190 | 43.8 Ų | 43.8 | 89% | 0.888 | 21% | 0.207 | S | C | * | . | S | Bend | trans | -69.5 | -23.8 | 171.1 | -63.6 | -176.5 | 170.3 | 0 | 0 | 111.6 | R473 | E468-R473 PolarHBondContact O-NH1 3.31Š|
| 469 | L | 93 | Very high | 93.9 | Very high | 69 Ų | 69 | 39.9 Ų | 39.9 | 36% | 0.361 | 19% | 0.189 | S | C | . | . | trans | -83.3 | 121.7 | -179.1 | -55.1 | 172.3 | 0 | 0 | 0 | 111.3 | P426 S467 Y471 M472 R473 | P426-L469 HydrophobicContact CB-CD1 3.74Å; P426-L469 HydrophobicContact CG-CD1 4.03Å; S467-L469 PolarHBondContact O-N 2.86Å; S467-L469 PolarHBondContact OG-N 3.36Å; S467-L469 VanDerWaalsContact OG-N 3.13Å; L469-Y471 HydrophobicContact CB-CD1 4.12Å; L469-Y471 HydrophobicContact CB-CE1 3.74Å; L469-Y471 HydrophobicContact CD1-CE1 3.97Å; L469-Y471 HydrophobicContact CD2-CE1 4.28Å; L469-Y471 HydrophobicContact CG-CE1 4.2Å; L469-M472 HydrophobicContact CB-CB 4.29Å; L469-M472 HydrophobicContact CB-CG 3.93Å; L469-M472 HydrophobicContact CD1-CG 4.17Å; L469-M472 PolarHBondContact O-N 3.44Å; L469-R473 PolarHBondContact O-N 2.93Å; L469-R473 PolarHBondContact O-NH1 3.37Å | ||
| 470 | G | 92.8 | Very high | 94 | Very high | 4 Ų | 4 | 36.6 Ų | 36.6 | 4% | 0.041 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -58.7 | -52.5 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114.5 | M472 R473 A474 E510 V513 | G470-M472 PolarHBondContact O-N 3.06Å; G470-M472 VanDerWaalsContact O-N 3.11Å; G470-R473 WeakPolarHBondContact O-CA 3.27Å; G470-R473 WeakPolarHBondContact O-CB 3.47Å; G470-R473 PolarHBondContact O-N 2.85Å; G470-A474 PolarHBondContact O-N 3.01Å; G470-E510 WeakPolarHBondContact CA-OE2 3.37Å; G470-E510 PolarHBondContact N-OE2 3.05Å; G470-V513 WeakPolarHBondContact O-CG2 3.15Å |
| 471 | Y | 93.6 | Very high | 94 | Very high | 15 Ų | 15 | 36.9 Ų | 36.9 | 6% | 0.059 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -57.2 | -30.7 | -179.4 | 72.4 | -92.3 | 0 | 0 | 0 | 113 | Y360 P426 D430 L469 R475 | Y360-Y471 HydrophobicContact CD1-CD1 4.27Å; Y360-Y471 HydrophobicContact CD1-CD2 4.19Å; Y360-Y471 HydrophobicContact CD1-CE1 4.37Å; Y360-Y471 HydrophobicContact CD1-CE2 4.28Å; Y360-Y471 HydrophobicContact CD1-CG 4.18Å; Y360-Y471 AromaticContact CD2-CD2 3.95Å; Y360-Y471 HydrophobicContact CD2-CD2 3.95Å; Y360-Y471 AromaticContact CD2-CG 3.97Å; Y360-Y471 HydrophobicContact CD2-CG 3.97Å; Y360-Y471 AromaticContact CE1-CD1 3.99Å; Y360-Y471 HydrophobicContact CE1-CD1 3.99Å; Y360-Y471 HydrophobicContact CE1-CE1 4.34Å; Y360-Y471 HydrophobicContact CE1-CG 4.12Å; Y360-Y471 HydrophobicContact CE2-CD1 4.49Å; Y360-Y471 HydrophobicContact CE2-CD2 4.37Å; Y360-Y471 AromaticContact CE2-CG 3.91Å; Y360-Y471 HydrophobicContact CE2-CG 3.91Å; Y360-Y471 AromaticContact CG-CD2 3.82Å; Y360-Y471 HydrophobicContact CG-CD2 3.82Å; Y360-Y471 HydrophobicContact CG-CE2 4.15Å; Y360-Y471 HydrophobicContact CG-CG 4.08Å; Y360-Y471 AromaticContact CZ-CG 3.97Å; P426-Y471 WeakPolarHBondContact CB-OH 3.46Å; D430-Y471 HydrophobicContact CB-CD2 4.41Å; D430-Y471 HydrophobicContact CB-CE2 4.2Å; L469-Y471 HydrophobicContact CB-CD1 4.12Å; L469-Y471 HydrophobicContact CB-CE1 3.74Å; L469-Y471 HydrophobicContact CD1-CE1 3.97Å; L469-Y471 HydrophobicContact CD2-CE1 4.28Å; L469-Y471 HydrophobicContact CG-CE1 4.2Å; Y471-R475 WeakPolarHBondContact O-CB 3.48Å; Y471-R475 PolarHBondContact O-N 3.49Å |
| 472 | M | 95 | Very high | 93.8 | Very high | 3 Ų | 3 | 41 Ų | 41 | 2% | 0.015 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.7 | -36.2 | 174.2 | -66.2 | -62.3 | -58 | 0 | 0 | 112.5 | P426 K429 D430 L464 L469 G470 A476 | P426-M472 HydrophobicContact CB-SD 4.31Å; P426-M472 VanDerWaalsContact O-SD 3.35Å; K429-M472 HydrophobicContact CB-CE 4.14Å; D430-M472 HydrophobicContact CB-SD 3.8Å; L464-M472 HydrophobicContact CD1-CE 3.85Å; L464-M472 HydrophobicContact CD2-CE 3.65Å; L464-M472 HydrophobicContact CG-CE 4.35Å; L469-M472 HydrophobicContact CB-CB 4.29Å; L469-M472 HydrophobicContact CB-CG 3.93Å; L469-M472 HydrophobicContact CD1-CG 4.17Å; L469-M472 PolarHBondContact O-N 3.44Å; G470-M472 PolarHBondContact O-N 3.06Å; G470-M472 VanDerWaalsContact O-N 3.11Å; M472-A476 WeakPolarHBondContact O-CB 3.49Å; M472-A476 PolarHBondContact O-N 2.88Å |
| 473 | R | 96.4 | Very high | 93.5 | Very high | 26 Ų | 26 | 40.3 Ų | 40.3 | 10% | 0.098 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -69.8 | -41.9 | 174.6 | -62.4 | -164.9 | -60.2 | -73.8 | -3.6 | 110.6 | L464 F465 S467 E468 L469 G470 A476 C477 D508 E510 V513 | L464-R473 WeakPolarHBondContact O-CG 3.47Å; F465-R473 VanDerWaalsContact O-CD 3.31Å; F465-R473 WeakPolarHBondContact O-CD 3.49Å; S467-R473 WeakPolarHBondContact O-CD 3.49Å; S467-R473 PolarHBondContact O-NH1 3.25Å; E468-R473 PolarHBondContact O-NH1 3.31Å; L469-R473 PolarHBondContact O-N 2.93Å; L469-R473 PolarHBondContact O-NH1 3.37Å; G470-R473 WeakPolarHBondContact O-CA 3.27Å; G470-R473 WeakPolarHBondContact O-CB 3.47Å; G470-R473 PolarHBondContact O-N 2.85Å; R473-A476 WeakPolarHBondContact O-CB 3.33Å; R473-A476 PolarHBondContact O-N 3.26Å; R473-C477 PolarHBondContact O-N 3.2Å; R473-C477 VanDerWaalsContact O-N 3.09Å; R473-C477 PolarHBondContact O-SG 3.26Å; R473-D508 IonicContact CZ-OD1 3.28Å; R473-D508 IonicContact CZ-OD2 2.64Å; R473-D508 IonicContact NE-OD1 3.3Å; R473-D508 IonicContact NE-OD2 3.54Å; R473-D508 PolarHBondContact NE-OD2 3.09Å; R473-D508 IonicContact NH2-OD1 3.24Å; R473-D508 PolarHBondContact NH2-OD1 3.1Å; R473-D508 IonicContact NH2-OD2 2.63Å; R473-D508 PolarHBondContact NH2-OD2 3.2Å; R473-D508 VanDerWaalsContact NH2-OD2 3.16Å; R473-E510 IonicContact CZ-OE2 3.96Å; R473-E510 IonicContact NH1-OE2 3.87Å; R473-E510 IonicContact NH2-OE2 2.75Å; R473-E510 PolarHBondContact NH2-OE2 3.16Å; R473-V513 HydrophobicContact CB-CG1 3.83Å; R473-V513 HydrophobicContact CB-CG2 4.31Å |
| 474 | A | 95 | Very high | 93 | Very high | 3 Ų | 3 | 37.4 Ų | 37.4 | 3% | 0.025 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.1 | -47.9 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | W368 G470 A476 C477 W478 V513 E516 | W368-A474 HydrophobicContact CH2-CB 3.87Å; W368-A474 HydrophobicContact CZ3-CB 4.45Å; G470-A474 PolarHBondContact O-N 3.01Å; A474-A476 VanDerWaalsContact C-N 3.26Å; A474-A476 PolarHBondContact O-N 3.5Å; A474-C477 WeakPolarHBondContact O-CB 3.06Å; A474-C477 PolarHBondContact O-N 2.97Å; A474-C477 VanDerWaalsContact O-N 3.13Å; A474-W478 PolarHBondContact O-N 2.88Å; A474-V513 HydrophobicContact CB-CG2 4.13Å; A474-E516 HydrophobicContact CB-CB 4.47Å; A474-E516 HydrophobicContact CB-CG 4.23Å |
| 475 | R | 95.1 | Very high | 92.5 | Very high | 22 Ų | 22 | 41.4 Ų | 41.4 | 8% | 0.083 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.9 | -36.6 | 175.5 | -176.7 | 59.5 | 63.2 | -169.1 | 2.6 | 112.5 | D430 L433 H434 Y471 W478 V479 | D430-R475 VanDerWaalsContact OD1-CB 3.32Å; D430-R475 WeakPolarHBondContact OD1-CB 3.22Å; D430-R475 WeakPolarHBondContact OD1-CG 3.41Å; D430-R475 IonicContact OD1-CZ 3.54Å; D430-R475 IonicContact OD1-NE 3.08Å; D430-R475 PolarHBondContact OD1-NE 3.46Å; D430-R475 IonicContact OD1-NH2 3.98Å; L433-R475 HydrophobicContact CB-CG 3.97Å; L433-R475 HydrophobicContact CD1-CG 4.38Å; H434-R475 PolarHBondContact CD2-NH1 3.44Å; H434-R475 VanDerWaalsContact CD2-NH1 3.32Å; H434-R475 PolarHBondContact ND1-NH2 3.07Å; Y471-R475 WeakPolarHBondContact O-CB 3.48Å; Y471-R475 PolarHBondContact O-N 3.49Å; R475-W478 VanDerWaalsContact NH1-CE3 3.27Å; R475-W478 PolarHBondContact O-N 3.19Å; R475-V479 HydrophobicContact CG-CG2 4.37Å; R475-V479 VanDerWaalsContact O-CG2 3.31Å; R475-V479 WeakPolarHBondContact O-CG2 3.31Å; R475-V479 PolarHBondContact O-N 3.22Å |
| 476 | A | 96.1 | Very high | 92 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.1 | -40.4 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112 | V461 L464 F465 M472 R473 A474 L480 | V461-A476 HydrophobicContact CG1-CB 3.95Å; L464-A476 HydrophobicContact CB-CB 3.94Å; F465-A476 HydrophobicContact CD2-CB 3.78Å; F465-A476 HydrophobicContact CE2-CB 3.47Å; F465-A476 VanDerWaalsContact CE2-CB 3.47Å; F465-A476 HydrophobicContact CG-CB 4.41Å; F465-A476 HydrophobicContact CZ-CB 3.85Å; M472-A476 WeakPolarHBondContact O-CB 3.49Å; M472-A476 PolarHBondContact O-N 2.88Å; R473-A476 WeakPolarHBondContact O-CB 3.33Å; R473-A476 PolarHBondContact O-N 3.26Å; A474-A476 VanDerWaalsContact C-N 3.26Å; A474-A476 PolarHBondContact O-N 3.5Å; A476-L480 WeakPolarHBondContact O-CG 3.47Å; A476-L480 PolarHBondContact O-N 3.3Å; A476-L480 VanDerWaalsContact O-N 3.16Å |
| 477 | C | 95.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -62.4 | -48.6 | 172.1 | -60.4 | 0 | 0 | 0 | 0 | 110.9 | F465 R473 A474 V479 L480 H481 E516 A520 | F465-C477 WeakPolarHBondContact CE1-SG 3.34Å; R473-C477 PolarHBondContact O-N 3.2Å; R473-C477 VanDerWaalsContact O-N 3.09Å; R473-C477 PolarHBondContact O-SG 3.26Å; A474-C477 WeakPolarHBondContact O-CB 3.06Å; A474-C477 PolarHBondContact O-N 2.97Å; A474-C477 VanDerWaalsContact O-N 3.13Å; C477-V479 PolarHBondContact O-N 3.01Å; C477-L480 WeakPolarHBondContact O-CB 3.45Å; C477-L480 PolarHBondContact O-N 3.32Å; C477-H481 PolarHBondContact O-N 3.25Å; C477-E516 HydrophobicContact CB-CB 3.9Å; C477-A520 HydrophobicContact CB-CB 4.21Å; C477-A520 VanDerWaalsContact O-CB 3.28Å; C477-A520 WeakPolarHBondContact O-CB 3.41Å |
| 478 | W | 95.1 | Very high | 90.9 | Very high | 18 Ų | 18 | 39 Ų | 39 | 7% | 0.068 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -56.6 | -44.7 | 177.4 | -175.9 | 92.9 | 0 | 0 | 0 | 112.3 | H434 A474 R475 L480 H481 Y482 | H434-W478 AromaticContact CD2-CH2 3.54Å; H434-W478 AromaticContact CD2-CZ2 3.88Å; H434-W478 AromaticContact CD2-CZ3 4Å; A474-W478 PolarHBondContact O-N 2.88Å; R475-W478 VanDerWaalsContact NH1-CE3 3.27Å; R475-W478 PolarHBondContact O-N 3.19Å; W478-L480 VanDerWaalsContact C-N 3.33Å; W478-L480 PolarHBondContact O-N 3.04Å; W478-H481 WeakPolarHBondContact O-CB 3.11Å; W478-H481 PolarHBondContact O-N 3.12Å; W478-Y482 AromaticContact CD1-CE2 3.94Å; W478-Y482 AromaticContact CD2-CD2 3.8Å; W478-Y482 HydrophobicContact CD2-CD2 3.8Å; W478-Y482 AromaticContact CD2-CE2 3.83Å; W478-Y482 HydrophobicContact CD2-CE2 3.83Å; W478-Y482 AromaticContact CE2-CD2 3.55Å; W478-Y482 AromaticContact CE2-CE2 3.12Å; W478-Y482 AromaticContact CE2-CZ 3.94Å; W478-Y482 HydrophobicContact CE3-CD2 4.16Å; W478-Y482 HydrophobicContact CG-CD2 4.37Å; W478-Y482 HydrophobicContact CG-CE2 4.29Å; W478-Y482 AromaticContact CH2-CD2 3.98Å; W478-Y482 HydrophobicContact CH2-CD2 3.98Å; W478-Y482 HydrophobicContact CH2-CE2 4.02Å; W478-Y482 HydrophobicContact CH2-CG 4.44Å; W478-Y482 AromaticContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CE1 4.42Å; W478-Y482 AromaticContact CZ2-CE2 3.23Å; W478-Y482 HydrophobicContact CZ2-CE2 3.23Å; W478-Y482 HydrophobicContact CZ2-CG 4.41Å; W478-Y482 AromaticContact CZ2-CZ 3.64Å; W478-Y482 HydrophobicContact CZ3-CD2 4.26Å; W478-Y482 AromaticContact NE1-CE2 3.25Å; W478-Y482 WeakPolarHBondContact O-CD2 3.3Å; W478-Y482 PolarHBondContact O-N 3.15Å |
| 479 | V | 94.8 | Very high | 90.6 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.7 | -38.7 | 175.9 | 175.2 | 0 | 0 | 0 | 0 | 111.5 | L433 L457 V461 R475 C477 H481 Y482 F483 | L433-V479 HydrophobicContact CB-CG2 3.91Å; L433-V479 HydrophobicContact CD2-CG2 4.45Å; L457-V479 HydrophobicContact CD2-CG1 3.9Å; V461-V479 HydrophobicContact CG1-CB 4.34Å; V461-V479 HydrophobicContact CG1-CG1 4.4Å; V461-V479 HydrophobicContact CG2-CB 4.5Å; V461-V479 HydrophobicContact CG2-CG1 3.87Å; R475-V479 HydrophobicContact CG-CG2 4.37Å; R475-V479 VanDerWaalsContact O-CG2 3.31Å; R475-V479 WeakPolarHBondContact O-CG2 3.31Å; R475-V479 PolarHBondContact O-N 3.22Å; C477-V479 PolarHBondContact O-N 3.01Å; V479-H481 VanDerWaalsContact C-N 3.32Å; V479-H481 PolarHBondContact O-N 3.05Å; V479-Y482 PolarHBondContact O-N 3.23Å; V479-F483 HydrophobicContact CG1-CD2 3.74Å; V479-F483 HydrophobicContact CG1-CE2 4.08Å; V479-F483 WeakPolarHBondContact O-CD2 3.47Å; V479-F483 PolarHBondContact O-N 3.05Å; V479-F483 VanDerWaalsContact O-N 3.12Å |
| 480 | L | 93.2 | Very high | 90.3 | Very high | 1 Ų | 1 | 35.8 Ų | 35.8 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.4 | -36 | 176.2 | -71.8 | -175.8 | 0 | 0 | 0 | 112.8 | L457 V461 F462 F465 A476 C477 W478 F483 C484 A497 L524 | L457-L480 HydrophobicContact CD1-CD2 4.13Å; L457-L480 HydrophobicContact CD2-CD2 4.04Å; V461-L480 HydrophobicContact CG1-CD2 4.45Å; V461-L480 HydrophobicContact CG1-CG 4.38Å; F462-L480 HydrophobicContact CE1-CD2 4Å; F465-L480 HydrophobicContact CE2-CD1 3.81Å; F465-L480 HydrophobicContact CE2-CG 4.43Å; F465-L480 HydrophobicContact CZ-CD1 3.48Å; F465-L480 VanDerWaalsContact CZ-CD1 3.48Å; F465-L480 HydrophobicContact CZ-CG 4.27Å; A476-L480 WeakPolarHBondContact O-CG 3.47Å; A476-L480 PolarHBondContact O-N 3.3Å; A476-L480 VanDerWaalsContact O-N 3.16Å; C477-L480 WeakPolarHBondContact O-CB 3.45Å; C477-L480 PolarHBondContact O-N 3.32Å; W478-L480 VanDerWaalsContact C-N 3.33Å; W478-L480 PolarHBondContact O-N 3.04Å; L480-F483 CarbonylContact O-C 3.6Å; L480-F483 PolarHBondContact O-N 3.5Å; L480-C484 PolarHBondContact O-N 3.05Å; L480-C484 VanDerWaalsContact O-N 3.16Å; L480-A497 HydrophobicContact CD1-CB 4.23Å; L480-L524 HydrophobicContact CB-CD1 4.48Å |
| 481 | H | 91.9 | Very high | 90 | Very high | 48 Ų | 48 | 38.8 Ų | 38.8 | 22% | 0.222 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -55.6 | -57 | 171.3 | 168.2 | -169.7 | 0 | 0 | 0 | 110.2 | C477 W478 V479 F483 C484 I519 A520 | C477-H481 PolarHBondContact O-N 3.25Å; W478-H481 WeakPolarHBondContact O-CB 3.11Å; W478-H481 PolarHBondContact O-N 3.12Å; V479-H481 VanDerWaalsContact C-N 3.32Å; V479-H481 PolarHBondContact O-N 3.05Å; H481-F483 PolarHBondContact O-N 3.47Å; H481-C484 VanDerWaalsContact O-CB 3.26Å; H481-C484 WeakPolarHBondContact O-CB 3.39Å; H481-C484 PolarHBondContact O-N 3.07Å; H481-C484 VanDerWaalsContact O-N 3.16Å; H481-C484 PolarHBondContact O-SG 2.68Å; H481-I519 WeakPolarHBondContact ND1-CG2 3.47Å; H481-A520 HydrophobicContact CB-CB 3.99Å |
| 482 | Y | 89.6 | Confident | 89.9 | Confident | 87 Ų | 87 | 43.4 Ų | 43.4 | 34% | 0.341 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -67.1 | -19.6 | -176.8 | -80 | -92.1 | 0 | 0 | 0 | 114.8 | A440 W478 V479 | A440-Y482 WeakPolarHBondContact CB-O 3.43Å; W478-Y482 AromaticContact CD1-CE2 3.94Å; W478-Y482 AromaticContact CD2-CD2 3.8Å; W478-Y482 HydrophobicContact CD2-CD2 3.8Å; W478-Y482 AromaticContact CD2-CE2 3.83Å; W478-Y482 HydrophobicContact CD2-CE2 3.83Å; W478-Y482 AromaticContact CE2-CD2 3.55Å; W478-Y482 AromaticContact CE2-CE2 3.12Å; W478-Y482 AromaticContact CE2-CZ 3.94Å; W478-Y482 HydrophobicContact CE3-CD2 4.16Å; W478-Y482 HydrophobicContact CG-CD2 4.37Å; W478-Y482 HydrophobicContact CG-CE2 4.29Å; W478-Y482 AromaticContact CH2-CD2 3.98Å; W478-Y482 HydrophobicContact CH2-CD2 3.98Å; W478-Y482 HydrophobicContact CH2-CE2 4.02Å; W478-Y482 HydrophobicContact CH2-CG 4.44Å; W478-Y482 AromaticContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CD2 3.64Å; W478-Y482 HydrophobicContact CZ2-CE1 4.42Å; W478-Y482 AromaticContact CZ2-CE2 3.23Å; W478-Y482 HydrophobicContact CZ2-CE2 3.23Å; W478-Y482 HydrophobicContact CZ2-CG 4.41Å; W478-Y482 AromaticContact CZ2-CZ 3.64Å; W478-Y482 HydrophobicContact CZ3-CD2 4.26Å; W478-Y482 AromaticContact NE1-CE2 3.25Å; W478-Y482 WeakPolarHBondContact O-CD2 3.3Å; W478-Y482 PolarHBondContact O-N 3.15Å; V479-Y482 PolarHBondContact O-N 3.23Å |
| 483 | F | 89.6 | Confident | 89.7 | Confident | 1 Ų | 1 | 44 Ų | 44 | 0% | 0.004 | 20% | 0.204 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -106.1 | 21.2 | 176.8 | -75.6 | -80.7 | 0 | 0 | 0 | 113.1 | I436 A440 L443 L444 M453 M456 L457 V479 L480 H481 E485 V486 | I436-F483 HydrophobicContact CG2-CE2 3.83Å; I436-F483 HydrophobicContact CG2-CZ 3.73Å; A440-F483 HydrophobicContact CB-CD1 4.12Å; A440-F483 HydrophobicContact CB-CD2 4.18Å; A440-F483 HydrophobicContact CB-CE1 3.82Å; A440-F483 HydrophobicContact CB-CE2 3.91Å; A440-F483 HydrophobicContact CB-CG 4.29Å; A440-F483 HydrophobicContact CB-CZ 3.71Å; L443-F483 HydrophobicContact CB-CE1 4.47Å; L443-F483 HydrophobicContact CD1-CE1 4.39Å; L443-F483 HydrophobicContact CD1-CZ 3.98Å; L444-F483 HydrophobicContact CD2-CD1 4.18Å; L444-F483 HydrophobicContact CG-CD1 4.42Å; M453-F483 HydrophobicContact CB-CD1 4.31Å; M453-F483 HydrophobicContact CB-CE1 4.39Å; M453-F483 HydrophobicContact CG-CD1 4.16Å; M453-F483 HydrophobicContact CG-CE1 3.8Å; M453-F483 HydrophobicContact SD-CD1 4.35Å; M453-F483 HydrophobicContact SD-CE1 3.52Å; M453-F483 VanDerWaalsContact SD-CE1 3.52Å; M453-F483 HydrophobicContact SD-CZ 3.96Å; M456-F483 HydrophobicContact CE-CE2 4.09Å; M456-F483 HydrophobicContact CE-CZ 4.22Å; L457-F483 HydrophobicContact CD1-CB 4.18Å; L457-F483 HydrophobicContact CD2-CB 4.33Å; L457-F483 HydrophobicContact CD2-CD2 4.43Å; L457-F483 HydrophobicContact CD2-CG 4.49Å; V479-F483 HydrophobicContact CG1-CD2 3.74Å; V479-F483 HydrophobicContact CG1-CE2 4.08Å; V479-F483 WeakPolarHBondContact O-CD2 3.47Å; V479-F483 PolarHBondContact O-N 3.05Å; V479-F483 VanDerWaalsContact O-N 3.12Å; L480-F483 CarbonylContact O-C 3.6Å; L480-F483 PolarHBondContact O-N 3.5Å; H481-F483 PolarHBondContact O-N 3.47Å; F483-E485 VanDerWaalsContact C-N 3.29Å; F483-E485 PolarHBondContact O-N 2.56Å; F483-V486 HydrophobicContact CB-CG2 3.88Å; F483-V486 HydrophobicContact CD1-CG2 3.77Å; F483-V486 HydrophobicContact CG-CG2 4.31Å; F483-V486 VanDerWaalsContact O-CB 3.27Å; F483-V486 WeakPolarHBondContact O-CB 3.48Å; F483-V486 VanDerWaalsContact O-CG2 3.26Å; F483-V486 WeakPolarHBondContact O-CG2 3.23Å; F483-V486 PolarHBondContact O-N 3.07Å; F483-V486 VanDerWaalsContact O-N 3.07Å |
| 484 | C | 82.9 | Confident | 89.5 | Confident | 10 Ų | 10 | 43 Ų | 43 | 7% | 0.068 | 20% | 0.2 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60 | -34.3 | -179.4 | 58.4 | 0 | 0 | 0 | 0 | 114 | L480 H481 V486 V523 L524 N527 Q528 | L480-C484 PolarHBondContact O-N 3.05Å; L480-C484 VanDerWaalsContact O-N 3.16Å; H481-C484 VanDerWaalsContact O-CB 3.26Å; H481-C484 WeakPolarHBondContact O-CB 3.39Å; H481-C484 PolarHBondContact O-N 3.07Å; H481-C484 VanDerWaalsContact O-N 3.16Å; H481-C484 PolarHBondContact O-SG 2.68Å; C484-V486 PolarHBondContact O-N 2.71Å; C484-V523 HydrophobicContact CB-CB 4.47Å; C484-V523 HydrophobicContact CB-CG1 3.6Å; C484-V523 WeakPolarHBondContact SG-CG1 3.39Å; C484-L524 HydrophobicContact CB-CD2 4.22Å; C484-N527 PolarHBondContact SG-ND2 3.39Å; C484-Q528 PolarHBondContact O-NE2 2.87Å |
| 485 | E | 82.2 | Confident | 89.3 | Confident | 115 Ų | 115 | 46.1 Ų | 46.1 | 54% | 0.537 | 21% | 0.214 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.6 | -10.4 | 176.3 | -69.1 | 174.5 | -165.7 | 0 | 0 | 113.4 | L444 F483 K487 | L444-E485 HydrophobicContact CD1-CB 3.97Å; F483-E485 VanDerWaalsContact C-N 3.29Å; F483-E485 PolarHBondContact O-N 2.56Å; E485-K487 PolarHBondContact O-N 2.93Å |
| 486 | V | 83.1 | Confident | 89.3 | Confident | 5 Ų | 5 | 46.8 Ų | 46.8 | 3% | 0.03 | 22% | 0.221 | C | C | . | . | S | Bend | trans | -63.7 | 107.5 | 173 | 179.3 | 0 | 0 | 0 | 0 | 108.7 | L444 M453 E454 F483 C484 F488 Q528 | L444-V486 HydrophobicContact CD2-CB 4.49Å; L444-V486 HydrophobicContact CD2-CG2 3.38Å; M453-V486 HydrophobicContact CB-CG1 4.48Å; M453-V486 HydrophobicContact CB-CG2 3.99Å; E454-V486 HydrophobicContact CB-CG1 4.43Å; F483-V486 HydrophobicContact CB-CG2 3.88Å; F483-V486 HydrophobicContact CD1-CG2 3.77Å; F483-V486 HydrophobicContact CG-CG2 4.31Å; F483-V486 VanDerWaalsContact O-CB 3.27Å; F483-V486 WeakPolarHBondContact O-CB 3.48Å; F483-V486 VanDerWaalsContact O-CG2 3.26Å; F483-V486 WeakPolarHBondContact O-CG2 3.23Å; F483-V486 PolarHBondContact O-N 3.07Å; F483-V486 VanDerWaalsContact O-N 3.07Å; C484-V486 PolarHBondContact O-N 2.71Å; V486-F488 WeakPolarHBondContact O-CD2 3.39Å; V486-F488 PolarHBondContact O-N 2.89Å; V486-Q528 PolarHBondContact O-NE2 3.06Å |
| 487 | K | 79.3 | Confident | 89.1 | Confident | 181 Ų | 181 | 46.8 Ų | 46.8 | 79% | 0.787 | 22% | 0.221 | S | C | * | . | trans | -63.5 | 102.3 | 169.7 | -62.2 | -169.9 | 179.6 | -175.3 | 0 | 109.4 | E485 K489 | E485-K487 PolarHBondContact O-N 2.93Å; K487-K489 PolarHBondContact O-N 2.87Å | ||
| 488 | F | 83.1 | Confident | 89 | Confident | 22 Ų | 22 | 47 Ų | 47 | 10% | 0.096 | 22% | 0.222 | C | C | . | . | trans | -62.9 | 119.6 | 177.2 | -73.1 | -92 | 0 | 0 | 0 | 110 | E454 L457 F462 V486 S490 N493 L494 A497 L524 Q528 | E454-F488 HydrophobicContact CG-CD1 3.94Å; E454-F488 HydrophobicContact CG-CE1 4.45Å; L457-F488 HydrophobicContact CD1-CE1 4.2Å; L457-F488 HydrophobicContact CD1-CZ 4Å; F462-F488 HydrophobicContact CZ-CE1 4.21Å; V486-F488 WeakPolarHBondContact O-CD2 3.39Å; V486-F488 PolarHBondContact O-N 2.89Å; F488-S490 VanDerWaalsContact C-N 3.27Å; F488-N493 HydrophobicContact CD1-CB 3.76Å; F488-N493 HydrophobicContact CE1-CB 4.25Å; F488-L494 HydrophobicContact CB-CB 4.14Å; F488-L494 HydrophobicContact CD2-CB 4.28Å; F488-L494 HydrophobicContact CD2-CD1 4.08Å; F488-L494 HydrophobicContact CE2-CD1 4.27Å; F488-L494 HydrophobicContact CG-CB 4.14Å; F488-A497 HydrophobicContact CZ-CB 4.32Å; F488-L524 HydrophobicContact CE2-CD2 4.49Å; F488-Q528 VanDerWaalsContact CD2-NE2 3.27Å; F488-Q528 VanDerWaalsContact CE2-NE2 3.31Å | ||
| 489 | K | 84.2 | Confident | 89 | Confident | 144 Ų | 144 | 51.4 Ų | 51.4 | 63% | 0.626 | 24% | 0.244 | S | C | * | . | S | Bend | trans | -71.9 | -27.5 | 175.1 | -62.2 | 175.7 | -179 | 172.4 | 0 | 111.2 | D451 E454 K487 | D451-K489 IonicContact OD1-NZ 3.17Å; D451-K489 PolarHBondContact OD1-NZ 3.3Å; E454-K489 PolarHBondContact OE1-N 3.11Å; E454-K489 VanDerWaalsContact OE2-CB 3.29Å; E454-K489 WeakPolarHBondContact OE2-CB 3.21Å; E454-K489 PolarHBondContact OE2-N 2.93Å; K487-K489 PolarHBondContact O-N 2.87Å |
| 490 | S | 87.2 | Confident | 89.1 | Confident | 47 Ų | 47 | 52.6 Ų | 52.6 | 33% | 0.329 | 25% | 0.25 | S | C | . | . | trans | -106.2 | 115.5 | 176 | -170.6 | 0 | 0 | 0 | 0 | 112 | E454 F488 Q492 N493 L494 | E454-S490 WeakPolarHBondContact OE1-CB 3.13Å; E454-S490 PolarHBondContact OE1-N 3.13Å; F488-S490 VanDerWaalsContact C-N 3.27Å; S490-Q492 PolarHBondContact O-N 3.02Å; S490-Q492 VanDerWaalsContact O-N 3.11Å; S490-N493 WeakPolarHBondContact O-CB 3.36Å; S490-N493 PolarHBondContact O-N 3.37Å; S490-L494 PolarHBondContact O-N 2.96Å | ||
| 491 | D | 87.8 | Confident | 89.2 | Confident | 66 Ų | 66 | 52.6 Ų | 52.6 | 35% | 0.353 | 25% | 0.25 | S | C | . | . | H | α-helix | trans | -54.4 | -30.8 | 172 | -69.8 | 4.1 | 0 | 0 | 0 | 112.3 | N493 L494 Q495 K530 | D491-N493 VanDerWaalsContact C-N 3.35Å; D491-L494 PolarHBondContact O-N 2.91Å; D491-Q495 WeakPolarHBondContact O-CG 3.22Å; D491-Q495 PolarHBondContact O-N 3.07Å; D491-K530 IonicContact OD1-NZ 3.28Å; D491-K530 PolarHBondContact OD1-NZ 3.05Å; D491-K530 IonicContact OD2-NZ 3.51Å; D491-K530 PolarHBondContact OD2-NZ 2.73Å |
| 492 | Q | 90.4 | Very high | 89.4 | Confident | 113 Ų | 113 | 51.9 Ų | 51.9 | 53% | 0.528 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -66.6 | -36.1 | 176.4 | -174 | 63.4 | 59.5 | 0 | 0 | 112.3 | S490 T496 | S490-Q492 PolarHBondContact O-N 3.02Å; S490-Q492 VanDerWaalsContact O-N 3.11Å; Q492-T496 WeakPolarHBondContact O-CB 3.48Å; Q492-T496 PolarHBondContact O-N 3.47Å; Q492-T496 PolarHBondContact O-OG1 3.47Å |
| 493 | N | 91.4 | Very high | 89.7 | Confident | 14 Ų | 14 | 51.4 Ų | 51.4 | 8% | 0.075 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -70.4 | -40.2 | 178 | -72.8 | -21.7 | 0 | 0 | 0 | 110.6 | E454 Q458 F462 F488 S490 D491 T496 A497 | E454-N493 PolarHBondContact OE1-ND2 3.04Å; Q458-N493 PolarHBondContact NE2-OD1 3.37Å; F462-N493 HydrophobicContact CE2-CB 4.25Å; F488-N493 HydrophobicContact CD1-CB 3.76Å; F488-N493 HydrophobicContact CE1-CB 4.25Å; S490-N493 WeakPolarHBondContact O-CB 3.36Å; S490-N493 PolarHBondContact O-N 3.37Å; D491-N493 VanDerWaalsContact C-N 3.35Å; N493-T496 PolarHBondContact O-N 3.48Å; N493-A497 WeakPolarHBondContact O-CB 3.3Å; N493-A497 PolarHBondContact O-N 3.13Å |
| 494 | L | 91 | Very high | 90 | Very high | 6 Ų | 6 | 51.5 Ų | 51.5 | 3% | 0.031 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -60.6 | -50.5 | 172.4 | 176.5 | 55.4 | 0 | 0 | 0 | 111.7 | F488 S490 D491 T496 A497 L498 Q528 K530 Y534 | F488-L494 HydrophobicContact CB-CB 4.14Å; F488-L494 HydrophobicContact CD2-CB 4.28Å; F488-L494 HydrophobicContact CD2-CD1 4.08Å; F488-L494 HydrophobicContact CE2-CD1 4.27Å; F488-L494 HydrophobicContact CG-CB 4.14Å; S490-L494 PolarHBondContact O-N 2.96Å; D491-L494 PolarHBondContact O-N 2.91Å; L494-T496 PolarHBondContact O-N 3.1Å; L494-A497 PolarHBondContact O-N 3.45Å; L494-A497 VanDerWaalsContact O-N 3.15Å; L494-L498 HydrophobicContact CD1-CD1 3.84Å; L494-L498 HydrophobicContact CD1-CG 3.99Å; L494-L498 HydrophobicContact CG-CD1 3.92Å; L494-L498 HydrophobicContact CG-CG 4.49Å; L494-L498 WeakPolarHBondContact O-CG 3.45Å; L494-L498 PolarHBondContact O-N 3.44Å; L494-Q528 VanDerWaalsContact CD2-OE1 3.3Å; L494-K530 HydrophobicContact CD2-CB 4.05Å; L494-Y534 HydrophobicContact CD2-CE2 4.45Å |
| 495 | Q | 91.9 | Very high | 90.6 | Very high | 68 Ų | 68 | 51 Ų | 51 | 32% | 0.318 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -56.4 | -40.9 | 176 | -74.4 | 177.8 | 13.4 | 0 | 0 | 111.9 | D491 E499 Y534 | D491-Q495 WeakPolarHBondContact O-CG 3.22Å; D491-Q495 PolarHBondContact O-N 3.07Å; Q495-E499 VanDerWaalsContact O-CB 3.27Å; Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 PolarHBondContact O-N 3.37Å; Q495-Y534 HydrophobicContact CG-CD1 4.1Å; Q495-Y534 HydrophobicContact CG-CD2 3.77Å; Q495-Y534 HydrophobicContact CG-CE1 3.9Å; Q495-Y534 HydrophobicContact CG-CE2 3.55Å; Q495-Y534 HydrophobicContact CG-CG 4.05Å; Q495-Y534 PolarHBondContact NE2-OH 2.92Å |
| 496 | T | 94.1 | Very high | 91.2 | Very high | 37 Ų | 37 | 47.9 Ų | 47.9 | 23% | 0.227 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -65.9 | -45.3 | 177.9 | -55 | 0 | 0 | 0 | 0 | 111.1 | F462 Q492 N493 L494 E499 L500 | F462-T496 HydrophobicContact CD2-CG2 3.96Å; F462-T496 HydrophobicContact CE2-CG2 4.18Å; Q492-T496 WeakPolarHBondContact O-CB 3.48Å; Q492-T496 PolarHBondContact O-N 3.47Å; Q492-T496 PolarHBondContact O-OG1 3.47Å; N493-T496 PolarHBondContact O-N 3.48Å; L494-T496 PolarHBondContact O-N 3.1Å; T496-E499 PolarHBondContact O-N 3.18Å; T496-L500 HydrophobicContact CG2-CD1 3.87Å; T496-L500 HydrophobicContact CG2-CG 4.23Å; T496-L500 WeakPolarHBondContact O-CB 3.44Å; T496-L500 WeakPolarHBondContact O-CG 3.2Å; T496-L500 PolarHBondContact O-N 3.32Å |
| 497 | A | 93.5 | Very high | 91.7 | Very high | 0 Ų | 0 | 52.6 Ų | 52.6 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.3 | -49.7 | 176.8 | 0 | 0 | 0 | 0 | 0 | 111.2 | F462 L480 F488 N493 L494 E499 L500 T501 | F462-A497 HydrophobicContact CE1-CB 3.86Å; F462-A497 HydrophobicContact CZ-CB 3.89Å; L480-A497 HydrophobicContact CD1-CB 4.23Å; F488-A497 HydrophobicContact CZ-CB 4.32Å; N493-A497 WeakPolarHBondContact O-CB 3.3Å; N493-A497 PolarHBondContact O-N 3.13Å; L494-A497 PolarHBondContact O-N 3.45Å; L494-A497 VanDerWaalsContact O-N 3.15Å; A497-E499 PolarHBondContact O-N 3.21Å; A497-L500 PolarHBondContact O-N 3.09Å; A497-T501 PolarHBondContact O-N 3.04Å; A497-T501 PolarHBondContact O-OG1 3.16Å |
| 498 | L | 93.8 | Very high | 92.5 | Very high | 3 Ų | 3 | 44.8 Ų | 44.8 | 2% | 0.016 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -61.4 | -44 | 178.2 | -68.3 | 169.2 | 0 | 0 | 0 | 112.2 | L494 R502 L521 L524 A531 Y534 I535 | L494-L498 HydrophobicContact CD1-CD1 3.84Å; L494-L498 HydrophobicContact CD1-CG 3.99Å; L494-L498 HydrophobicContact CG-CD1 3.92Å; L494-L498 HydrophobicContact CG-CG 4.49Å; L494-L498 WeakPolarHBondContact O-CG 3.45Å; L494-L498 PolarHBondContact O-N 3.44Å; L498-R502 WeakPolarHBondContact O-CB 3.42Å; L498-R502 PolarHBondContact O-N 2.89Å; L498-L521 HydrophobicContact CD2-CD1 4Å; L498-L524 HydrophobicContact CD2-CB 4.14Å; L498-L524 HydrophobicContact CD2-CD1 4.44Å; L498-A531 HydrophobicContact CD1-CB 3.63Å; L498-A531 HydrophobicContact CD2-CB 3.91Å; L498-A531 HydrophobicContact CG-CB 4.37Å; L498-Y534 HydrophobicContact CD1-CD2 3.97Å; L498-I535 HydrophobicContact CB-CD1 4.13Å; L498-I535 HydrophobicContact CD2-CD1 4.45Å; L498-I535 HydrophobicContact CD2-CG1 4.14Å |
| 499 | E | 94.7 | Very high | 92.9 | Very high | 112 Ų | 112 | 51.2 Ų | 51.2 | 52% | 0.523 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -63.1 | -43 | 177.7 | 176 | 167.8 | -149.2 | 0 | 0 | 112.1 | Q495 T496 A497 R502 N503 | Q495-E499 VanDerWaalsContact O-CB 3.27Å; Q495-E499 WeakPolarHBondContact O-CB 3.49Å; Q495-E499 PolarHBondContact O-N 3.37Å; T496-E499 PolarHBondContact O-N 3.18Å; A497-E499 PolarHBondContact O-N 3.21Å; E499-R502 IonicContact OE1-NH2 3.53Å; E499-N503 WeakPolarHBondContact O-CB 3.14Å; E499-N503 PolarHBondContact O-N 3.44Å |
| 500 | L | 95.8 | Very high | 93.3 | Very high | 25 Ų | 25 | 47 Ų | 47 | 13% | 0.131 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.2 | -49.9 | 179.2 | -71.5 | 175.7 | 0 | 0 | 0 | 111.4 | F462 F465 T496 A497 N503 C504 | F462-L500 HydrophobicContact CB-CD1 3.89Å; F462-L500 HydrophobicContact CD1-CD1 4.19Å; F462-L500 HydrophobicContact CG-CD1 4.03Å; F465-L500 HydrophobicContact CB-CB 4.27Å; F465-L500 HydrophobicContact CB-CD1 4.22Å; F465-L500 HydrophobicContact CB-CD2 3.85Å; F465-L500 HydrophobicContact CB-CG 4.33Å; F465-L500 HydrophobicContact CD1-CB 3.7Å; F465-L500 HydrophobicContact CD2-CB 4.19Å; F465-L500 HydrophobicContact CD2-CD1 3.87Å; F465-L500 HydrophobicContact CE1-CB 4.04Å; F465-L500 HydrophobicContact CE2-CB 4.49Å; F465-L500 HydrophobicContact CE2-CD1 4.46Å; F465-L500 HydrophobicContact CG-CB 3.79Å; F465-L500 HydrophobicContact CG-CD1 4.04Å; F465-L500 HydrophobicContact CG-CD2 4.3Å; F465-L500 HydrophobicContact CG-CG 4.26Å; F465-L500 HydrophobicContact CZ-CB 4.44Å; T496-L500 HydrophobicContact CG2-CD1 3.87Å; T496-L500 HydrophobicContact CG2-CG 4.23Å; T496-L500 WeakPolarHBondContact O-CB 3.44Å; T496-L500 WeakPolarHBondContact O-CG 3.2Å; T496-L500 PolarHBondContact O-N 3.32Å; A497-L500 PolarHBondContact O-N 3.09Å; L500-N503 PolarHBondContact O-N 3.42Å; L500-C504 PolarHBondContact O-N 2.95Å |
| 501 | T | 95.4 | Very high | 93.6 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -64.1 | -46.2 | 179.1 | -52.2 | 0 | 0 | 0 | 0 | 111.3 | A497 N503 C504 L505 A517 A520 L521 | A497-T501 PolarHBondContact O-N 3.04Å; A497-T501 PolarHBondContact O-OG1 3.16Å; T501-N503 VanDerWaalsContact C-N 3.29Å; T501-N503 PolarHBondContact O-N 3.26Å; T501-C504 PolarHBondContact O-N 2.89Å; T501-L505 PolarHBondContact O-N 2.78Å; T501-A517 HydrophobicContact CG2-CB 4.07Å; T501-A517 WeakPolarHBondContact CG2-O 3.48Å; T501-A520 HydrophobicContact CG2-CB 3.96Å; T501-L521 HydrophobicContact CG2-CB 3.84Å |
| 502 | R | 96.1 | Very high | 93.9 | Very high | 34 Ų | 34 | 42.9 Ų | 42.9 | 13% | 0.128 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -57.9 | -41.8 | 174.6 | -177 | -160 | 67.9 | -160.9 | -4 | 111.8 | L498 E499 L505 I506 I535 V542 | L498-R502 WeakPolarHBondContact O-CB 3.42Å; L498-R502 PolarHBondContact O-N 2.89Å; E499-R502 IonicContact OE1-NH2 3.53Å; R502-L505 PolarHBondContact O-N 2.93Å; R502-I506 HydrophobicContact CG-CD1 3.73Å; R502-I506 HydrophobicContact CG-CG1 4.47Å; R502-I506 WeakPolarHBondContact O-CG1 2.95Å; R502-I506 PolarHBondContact O-N 3.27Å; R502-I535 HydrophobicContact CB-CD1 4.38Å; R502-V542 HydrophobicContact CG-CG2 4.04Å |
| 503 | N | 95.8 | Very high | 94.2 | Very high | 76 Ų | 76 | 37.5 Ų | 37.5 | 41% | 0.406 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -65.8 | -38.9 | 178.8 | -177.1 | 68.5 | 0 | 0 | 0 | 112.1 | E499 L500 T501 N507 | E499-N503 WeakPolarHBondContact O-CB 3.14Å; E499-N503 PolarHBondContact O-N 3.44Å; L500-N503 PolarHBondContact O-N 3.42Å; T501-N503 VanDerWaalsContact C-N 3.29Å; T501-N503 PolarHBondContact O-N 3.26Å; N503-N507 WeakPolarHBondContact O-CA 3.42Å; N503-N507 WeakPolarHBondContact O-CB 3.37Å; N503-N507 PolarHBondContact O-N 3.07Å; N503-N507 PolarHBondContact OD1-ND2 3.26Å |
| 504 | C | 96.3 | Very high | 94.4 | Very high | 3 Ų | 3 | 38.4 Ų | 38.4 | 2% | 0.02 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -62.9 | -44.5 | 172.9 | -81.2 | 0 | 0 | 0 | 0 | 111.8 | L500 T501 I506 D508 V513 A517 | L500-C504 PolarHBondContact O-N 2.95Å; T501-C504 PolarHBondContact O-N 2.89Å; C504-I506 PolarHBondContact O-N 3.35Å; C504-D508 WeakPolarHBondContact O-CB 3.42Å; C504-D508 PolarHBondContact O-N 2.98Å; C504-V513 HydrophobicContact CB-CG1 4.08Å; C504-A517 HydrophobicContact CB-CB 3.78Å |
| 505 | L | 95.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 38.1 Ų | 38.1 | 1% | 0.005 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -46.9 | 178 | 179.2 | 59.9 | 0 | 0 | 0 | 112.6 | T501 R502 K514 A517 A518 L521 V542 A545 L546 I549 | T501-L505 PolarHBondContact O-N 2.78Å; R502-L505 PolarHBondContact O-N 2.93Å; L505-K514 WeakPolarHBondContact CD1-O 3.21Å; L505-A517 HydrophobicContact CB-CB 4.01Å; L505-A518 HydrophobicContact CD1-CB 3.79Å; L505-L521 HydrophobicContact CD2-CD2 3.76Å; L505-V542 HydrophobicContact CD2-CB 4.49Å; L505-V542 HydrophobicContact CD2-CG1 3.81Å; L505-V542 HydrophobicContact CD2-CG2 4.43Å; L505-A545 HydrophobicContact CG-CB 4.25Å; L505-L546 HydrophobicContact CD1-CD2 4.1Å; L505-L546 HydrophobicContact CD2-CD2 4.22Å; L505-L546 HydrophobicContact CD2-CG 4.38Å; L505-I549 HydrophobicContact CD1-CD1 3.42Å; L505-I549 VanDerWaalsContact CD1-CD1 3.42Å |
| 506 | I | 94.9 | Very high | 94.7 | Very high | 49 Ų | 49 | 35.1 Ų | 35.1 | 25% | 0.251 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -84.9 | -44.9 | -172.3 | -59.9 | 173.8 | 0 | 0 | 0 | 112.1 | R502 C504 P541 V542 A545 | R502-I506 HydrophobicContact CG-CD1 3.73Å; R502-I506 HydrophobicContact CG-CG1 4.47Å; R502-I506 WeakPolarHBondContact O-CG1 2.95Å; R502-I506 PolarHBondContact O-N 3.27Å; C504-I506 PolarHBondContact O-N 3.35Å; I506-P541 HydrophobicContact CD1-CB 3.94Å; I506-V542 HydrophobicContact CD1-CG2 4.17Å; I506-A545 HydrophobicContact CG1-CB 4.48Å |
| 507 | N | 94.1 | Very high | 94.8 | Very high | 103 Ų | 103 | 33.4 Ų | 33.4 | 55% | 0.551 | 17% | 0.168 | S | C | * | . | H | α-helix | trans | -112.3 | -6.4 | -163.2 | -62.5 | -46.1 | 0 | 0 | 0 | 114.8 | N503 | N503-N507 WeakPolarHBondContact O-CA 3.42Å; N503-N507 WeakPolarHBondContact O-CB 3.37Å; N503-N507 PolarHBondContact O-N 3.07Å; N503-N507 PolarHBondContact OD1-ND2 3.26Å |
| 508 | D | 95.3 | Very high | 94.9 | Very high | 17 Ų | 17 | 33.4 Ų | 33.4 | 9% | 0.091 | 17% | 0.169 | C | C | . | . | trans | -66.9 | 157.3 | 176.7 | -150.8 | -65 | 0 | 0 | 0 | 110.8 | R473 C504 E510 V513 K514 | R473-D508 IonicContact CZ-OD1 3.28Å; R473-D508 IonicContact CZ-OD2 2.64Å; R473-D508 IonicContact NE-OD1 3.3Å; R473-D508 IonicContact NE-OD2 3.54Å; R473-D508 PolarHBondContact NE-OD2 3.09Å; R473-D508 IonicContact NH2-OD1 3.24Å; R473-D508 PolarHBondContact NH2-OD1 3.1Å; R473-D508 IonicContact NH2-OD2 2.63Å; R473-D508 PolarHBondContact NH2-OD2 3.2Å; R473-D508 VanDerWaalsContact NH2-OD2 3.16Å; C504-D508 WeakPolarHBondContact O-CB 3.42Å; C504-D508 PolarHBondContact O-N 2.98Å; D508-E510 PolarHBondContact OD1-N 3.48Å; D508-V513 HydrophobicContact CB-CB 4.48Å; D508-V513 HydrophobicContact CB-CG1 4.31Å; D508-V513 WeakPolarHBondContact OD2-CG1 3.33Å; D508-K514 HydrophobicContact CB-CG 4.33Å; D508-K514 WeakPolarHBondContact O-CE 3.44Å; D508-K514 PolarHBondContact O-NZ 3.08Å | ||
| 509 | N | 91.5 | Very high | 94.9 | Very high | 158 Ų | 158 | 34.1 Ų | 34.1 | 85% | 0.845 | 17% | 0.172 | S | C | * | . | S | Bend | trans | -98.4 | -20.7 | 177.6 | -63.5 | -49.3 | 0 | 0 | 0 | 111.8 | ||
| 510 | E | 93.8 | Very high | 94.8 | Very high | 56 Ų | 56 | 28.8 Ų | 28.8 | 26% | 0.262 | 15% | 0.147 | S | C | . | . | trans | -95.8 | 121.8 | -175.1 | -66.2 | 178.4 | 103.8 | 0 | 0 | 110.3 | W368 G470 R473 D508 V513 K514 | W368-E510 HydrophobicContact CZ2-CB 4.36Å; W368-E510 PolarHBondContact NE1-OE1 2.8Å; G470-E510 WeakPolarHBondContact CA-OE2 3.37Å; G470-E510 PolarHBondContact N-OE2 3.05Å; R473-E510 IonicContact CZ-OE2 3.96Å; R473-E510 IonicContact NH1-OE2 3.87Å; R473-E510 IonicContact NH2-OE2 2.75Å; R473-E510 PolarHBondContact NH2-OE2 3.16Å; D508-E510 PolarHBondContact OD1-N 3.48Å; E510-V513 HydrophobicContact CB-CG2 3.93Å; E510-V513 WeakPolarHBondContact O-CB 3.47Å; E510-V513 PolarHBondContact O-N 2.89Å; E510-K514 PolarHBondContact O-N 3.04Å | ||
| 511 | M | 93.3 | Very high | 94.8 | Very high | 21 Ų | 21 | 27.7 Ų | 27.7 | 10% | 0.103 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -59.2 | -43.6 | -175.5 | -165.1 | 62.1 | 77.7 | 0 | 0 | 113.6 | Y373 I376 V513 K514 V515 I549 E552 T553 | Y373-M511 HydrophobicContact CD1-CG 4.46Å; Y373-M511 HydrophobicContact CE1-CE 4.07Å; Y373-M511 HydrophobicContact CE1-CG 3.99Å; I376-M511 HydrophobicContact CD1-CB 4.08Å; I376-M511 HydrophobicContact CD1-CG 3.71Å; M511-V513 PolarHBondContact O-N 3.31Å; M511-K514 WeakPolarHBondContact O-CB 3.41Å; M511-K514 PolarHBondContact O-N 3.38Å; M511-K514 HydrophobicContact SD-CB 4.48Å; M511-K514 HydrophobicContact SD-CD 4.25Å; M511-V515 PolarHBondContact O-N 2.94Å; M511-V515 VanDerWaalsContact O-N 3.09Å; M511-I549 HydrophobicContact SD-CB 4.46Å; M511-I549 HydrophobicContact SD-CG1 4.12Å; M511-I549 HydrophobicContact SD-CG2 3.96Å; M511-E552 HydrophobicContact CE-CB 3.88Å; M511-E552 HydrophobicContact CE-CG 4.21Å; M511-T553 HydrophobicContact CG-CG2 3.53Å; M511-T553 HydrophobicContact SD-CG2 4Å |
| 512 | P | 93.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 28.3 Ų | 28.3 | 3% | 0.026 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.1 | -27.2 | -178.5 | -18.8 | 30.1 | 0 | 0 | 0 | 112.9 | W368 P372 Y375 I376 E516 | W368-P512 HydrophobicContact CD2-CG 4.3Å; W368-P512 HydrophobicContact CE3-CB 4.18Å; W368-P512 HydrophobicContact CE3-CG 4.11Å; W368-P512 HydrophobicContact CH2-CB 3.48Å; W368-P512 VanDerWaalsContact CH2-CB 3.48Å; W368-P512 HydrophobicContact CH2-CG 3.94Å; W368-P512 HydrophobicContact CZ2-CB 4.09Å; W368-P512 HydrophobicContact CZ2-CG 4.09Å; W368-P512 HydrophobicContact CZ3-CB 3.53Å; W368-P512 HydrophobicContact CZ3-CG 3.94Å; P372-P512 HydrophobicContact CB-CG 3.97Å; Y375-P512 HydrophobicContact CD1-CB 4Å; Y375-P512 HydrophobicContact CD1-CG 4.05Å; Y375-P512 HydrophobicContact CE1-CB 4.23Å; I376-P512 HydrophobicContact CD1-CB 4.31Å; I376-P512 HydrophobicContact CD1-CG 4.08Å; I376-P512 HydrophobicContact CG1-CB 3.97Å; I376-P512 HydrophobicContact CG1-CG 4Å; P512-E516 WeakPolarHBondContact O-CG 3.26Å; P512-E516 PolarHBondContact O-N 3.46Å |
| 513 | V | 95.8 | Very high | 94.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -69.3 | -39.1 | 173.9 | -175.5 | 0 | 0 | 0 | 0 | 110.9 | W368 G470 R473 A474 C504 D508 E510 M511 A517 | W368-V513 HydrophobicContact CH2-CG2 4.14Å; W368-V513 HydrophobicContact CZ2-CG2 4.02Å; G470-V513 WeakPolarHBondContact O-CG2 3.15Å; R473-V513 HydrophobicContact CB-CG1 3.83Å; R473-V513 HydrophobicContact CB-CG2 4.31Å; A474-V513 HydrophobicContact CB-CG2 4.13Å; C504-V513 HydrophobicContact CB-CG1 4.08Å; D508-V513 HydrophobicContact CB-CB 4.48Å; D508-V513 HydrophobicContact CB-CG1 4.31Å; D508-V513 WeakPolarHBondContact OD2-CG1 3.33Å; E510-V513 HydrophobicContact CB-CG2 3.93Å; E510-V513 WeakPolarHBondContact O-CB 3.47Å; E510-V513 PolarHBondContact O-N 2.89Å; M511-V513 PolarHBondContact O-N 3.31Å; V513-A517 VanDerWaalsContact O-CB 3.24Å; V513-A517 WeakPolarHBondContact O-CB 3.47Å; V513-A517 PolarHBondContact O-N 2.97Å |
| 514 | K | 95.9 | Very high | 94.2 | Very high | 33 Ų | 33 | 24.1 Ų | 24.1 | 14% | 0.143 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -65.7 | -42.7 | 177.9 | -69.6 | -175.7 | 171.2 | 168.1 | 0 | 112.4 | L505 D508 E510 M511 A517 A518 I549 | L505-K514 WeakPolarHBondContact CD1-O 3.21Å; D508-K514 HydrophobicContact CB-CG 4.33Å; D508-K514 WeakPolarHBondContact O-CE 3.44Å; D508-K514 PolarHBondContact O-NZ 3.08Å; E510-K514 PolarHBondContact O-N 3.04Å; M511-K514 WeakPolarHBondContact O-CB 3.41Å; M511-K514 PolarHBondContact O-N 3.38Å; M511-K514 HydrophobicContact SD-CB 4.48Å; M511-K514 HydrophobicContact SD-CD 4.25Å; K514-A517 PolarHBondContact O-N 3.41Å; K514-A518 PolarHBondContact O-N 3.32Å; K514-I549 HydrophobicContact CB-CD1 3.74Å; K514-I549 HydrophobicContact CB-CG1 4.22Å; K514-I549 HydrophobicContact CD-CD1 4.34Å; K514-I549 HydrophobicContact CD-CG1 4.32Å |
| 515 | V | 94.5 | Very high | 94 | Very high | 1 Ų | 1 | 24 Ų | 24 | 1% | 0.006 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -60 | -50.8 | 176.9 | 177.7 | 0 | 0 | 0 | 0 | 110.3 | I376 F380 M511 A517 A518 I519 I549 T553 L558 | I376-V515 HydrophobicContact CD1-CG2 3.83Å; I376-V515 HydrophobicContact CG1-CG2 4.34Å; I376-V515 HydrophobicContact CG2-CG1 4.4Å; I376-V515 HydrophobicContact CG2-CG2 4.3Å; F380-V515 HydrophobicContact CD2-CG1 4.44Å; F380-V515 HydrophobicContact CE2-CG1 3.62Å; F380-V515 HydrophobicContact CZ-CG1 3.78Å; M511-V515 PolarHBondContact O-N 2.94Å; M511-V515 VanDerWaalsContact O-N 3.09Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.4Å; V515-A518 WeakPolarHBondContact O-CB 3.45Å; V515-A518 PolarHBondContact O-N 3.44Å; V515-A518 VanDerWaalsContact O-N 3.12Å; V515-I519 HydrophobicContact CG1-CD1 4.38Å; V515-I519 PolarHBondContact O-N 3.37Å; V515-I549 HydrophobicContact CG2-CG2 3.79Å; V515-T553 HydrophobicContact CG2-CG2 4.06Å; V515-L558 HydrophobicContact CG1-CD1 4.35Å; V515-L558 HydrophobicContact CG1-CD2 4.17Å; V515-L558 HydrophobicContact CG1-CG 4.43Å; V515-L558 HydrophobicContact CG2-CD1 4.21Å |
| 516 | E | 94.5 | Very high | 93.7 | Very high | 5 Ų | 5 | 26 Ų | 26 | 2% | 0.023 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.9 | -36.8 | 177.9 | -74 | -76.3 | -164.3 | 0 | 0 | 112.8 | K379 A474 C477 P512 A520 | K379-E516 WeakPolarHBondContact CE-OE1 3.37Å; K379-E516 IonicContact NZ-OE1 2.78Å; K379-E516 PolarHBondContact NZ-OE1 3.02Å; A474-E516 HydrophobicContact CB-CB 4.47Å; A474-E516 HydrophobicContact CB-CG 4.23Å; C477-E516 HydrophobicContact CB-CB 3.9Å; P512-E516 WeakPolarHBondContact O-CG 3.26Å; P512-E516 PolarHBondContact O-N 3.46Å; E516-A520 VanDerWaalsContact O-CB 3.27Å; E516-A520 WeakPolarHBondContact O-CB 3.44Å; E516-A520 PolarHBondContact O-N 3.42Å |
| 517 | A | 96.2 | Very high | 93.3 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -67.4 | -35.4 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.6 | T501 C504 L505 V513 K514 V515 L521 | T501-A517 HydrophobicContact CG2-CB 4.07Å; T501-A517 WeakPolarHBondContact CG2-O 3.48Å; C504-A517 HydrophobicContact CB-CB 3.78Å; L505-A517 HydrophobicContact CB-CB 4.01Å; V513-A517 VanDerWaalsContact O-CB 3.24Å; V513-A517 WeakPolarHBondContact O-CB 3.47Å; V513-A517 PolarHBondContact O-N 2.97Å; K514-A517 PolarHBondContact O-N 3.41Å; V515-A517 VanDerWaalsContact C-N 3.3Å; V515-A517 PolarHBondContact O-N 3.4Å; A517-L521 WeakPolarHBondContact O-CB 3.37Å; A517-L521 PolarHBondContact O-N 3.43Å |
| 518 | A | 95.4 | Very high | 92.8 | Very high | 1 Ų | 1 | 23.8 Ų | 23.8 | 1% | 0.008 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -52.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L505 K514 V515 L521 Q522 L546 L558 V561 | L505-A518 HydrophobicContact CD1-CB 3.79Å; K514-A518 PolarHBondContact O-N 3.32Å; V515-A518 WeakPolarHBondContact O-CB 3.45Å; V515-A518 PolarHBondContact O-N 3.44Å; V515-A518 VanDerWaalsContact O-N 3.12Å; A518-L521 PolarHBondContact O-N 3.27Å; A518-Q522 PolarHBondContact O-N 3.38Å; A518-Q522 VanDerWaalsContact O-N 3.09Å; A518-L546 HydrophobicContact CB-CD2 3.35Å; A518-L558 HydrophobicContact CB-CD2 3.63Å; A518-V561 HydrophobicContact CB-CG1 4.43Å |
| 519 | I | 93.3 | Very high | 92.3 | Very high | 18 Ų | 18 | 30.9 Ų | 30.9 | 9% | 0.092 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.3 | -50.2 | 179.9 | -59.8 | 169.8 | 0 | 0 | 0 | 109.8 | F380 H481 V515 L521 Q522 V523 L558 V561 | F380-I519 HydrophobicContact CD1-CD1 4.43Å; F380-I519 HydrophobicContact CE1-CD1 3.35Å; F380-I519 HydrophobicContact CZ-CD1 3.58Å; H481-I519 WeakPolarHBondContact ND1-CG2 3.47Å; V515-I519 HydrophobicContact CG1-CD1 4.38Å; V515-I519 PolarHBondContact O-N 3.37Å; I519-L521 VanDerWaalsContact C-N 3.29Å; I519-L521 PolarHBondContact O-N 3.37Å; I519-Q522 PolarHBondContact O-N 3.4Å; I519-V523 HydrophobicContact CG2-CG2 4.44Å; I519-V523 WeakPolarHBondContact O-CG2 3.43Å; I519-V523 PolarHBondContact O-N 3.04Å; I519-L558 HydrophobicContact CG1-CD2 4.35Å; I519-V561 HydrophobicContact CG1-CG2 4.07Å |
| 520 | A | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -60.1 | -38.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113 | C477 H481 T501 E516 L524 | C477-A520 HydrophobicContact CB-CB 4.21Å; C477-A520 VanDerWaalsContact O-CB 3.28Å; C477-A520 WeakPolarHBondContact O-CB 3.41Å; H481-A520 HydrophobicContact CB-CB 3.99Å; T501-A520 HydrophobicContact CG2-CB 3.96Å; E516-A520 VanDerWaalsContact O-CB 3.27Å; E516-A520 WeakPolarHBondContact O-CB 3.44Å; E516-A520 PolarHBondContact O-N 3.42Å; A520-L524 WeakPolarHBondContact O-CB 3.46Å; A520-L524 WeakPolarHBondContact O-CD1 3.49Å; A520-L524 WeakPolarHBondContact O-CG 3.42Å; A520-L524 PolarHBondContact O-N 2.93Å; A520-L524 VanDerWaalsContact O-N 3.1Å |
| 521 | L | 94.8 | Very high | 91.8 | Very high | 2 Ų | 2 | 25.1 Ų | 25.1 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -67.1 | -45.7 | 179.2 | -177.2 | 60.9 | 0 | 0 | 0 | 111.5 | L498 T501 L505 A517 A518 I519 L524 I525 I535 V542 | L498-L521 HydrophobicContact CD2-CD1 4Å; T501-L521 HydrophobicContact CG2-CB 3.84Å; L505-L521 HydrophobicContact CD2-CD2 3.76Å; A517-L521 WeakPolarHBondContact O-CB 3.37Å; A517-L521 PolarHBondContact O-N 3.43Å; A518-L521 PolarHBondContact O-N 3.27Å; I519-L521 VanDerWaalsContact C-N 3.29Å; I519-L521 PolarHBondContact O-N 3.37Å; L521-L524 PolarHBondContact O-N 3.43Å; L521-I525 HydrophobicContact CD1-CD1 4.02Å; L521-I525 HydrophobicContact CD1-CG1 4.48Å; L521-I525 HydrophobicContact CG-CD1 3.84Å; L521-I525 WeakPolarHBondContact O-CD1 3.48Å; L521-I525 VanDerWaalsContact O-CG1 3.26Å; L521-I525 WeakPolarHBondContact O-CG1 3.46Å; L521-I525 PolarHBondContact O-N 3.03Å; L521-I525 VanDerWaalsContact O-N 3.09Å; L521-I535 HydrophobicContact CD1-CD1 3.99Å; L521-I535 HydrophobicContact CD1-CG1 4.25Å; L521-V542 HydrophobicContact CD2-CG1 3.95Å; L521-V542 HydrophobicContact CD2-CG2 4.11Å |
| 522 | Q | 93.5 | Very high | 91.6 | Very high | 13 Ų | 13 | 27.2 Ų | 27.2 | 6% | 0.061 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 179 | 175.1 | -83.3 | -57.8 | 0 | 0 | 111.3 | A518 I519 L524 I525 S526 V561 K564 M565 | A518-Q522 PolarHBondContact O-N 3.38Å; A518-Q522 VanDerWaalsContact O-N 3.09Å; I519-Q522 PolarHBondContact O-N 3.4Å; Q522-L524 VanDerWaalsContact C-N 3.31Å; Q522-L524 PolarHBondContact O-N 2.9Å; Q522-I525 WeakPolarHBondContact O-CB 3.44Å; Q522-I525 PolarHBondContact O-N 3.3Å; Q522-I525 VanDerWaalsContact O-N 3.07Å; Q522-S526 PolarHBondContact NE2-OG 3.36Å; Q522-S526 PolarHBondContact O-N 2.85Å; Q522-S526 PolarHBondContact O-OG 3.04Å; Q522-V561 HydrophobicContact CB-CB 4.45Å; Q522-V561 HydrophobicContact CB-CG1 3.8Å; Q522-V561 HydrophobicContact CB-CG2 4.28Å; Q522-V561 HydrophobicContact CG-CG1 4.25Å; Q522-V561 HydrophobicContact CG-CG2 4.48Å; Q522-K564 HydrophobicContact CG-CB 3.88Å; Q522-K564 HydrophobicContact CG-CD 4.35Å; Q522-K564 VanDerWaalsContact NE2-CD 3.25Å; Q522-M565 HydrophobicContact CB-CG 4.35Å; Q522-M565 HydrophobicContact CB-SD 4.2Å; Q522-M565 HydrophobicContact CG-CG 4.29Å; Q522-M565 HydrophobicContact CG-SD 4.41Å |
| 523 | V | 90.5 | Very high | 91.4 | Very high | 21 Ų | 21 | 33.9 Ų | 33.9 | 13% | 0.127 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.6 | -35.4 | -178.3 | -176.9 | 0 | 0 | 0 | 0 | 111.6 | C484 I519 I525 N527 | C484-V523 HydrophobicContact CB-CB 4.47Å; C484-V523 HydrophobicContact CB-CG1 3.6Å; C484-V523 WeakPolarHBondContact SG-CG1 3.39Å; I519-V523 HydrophobicContact CG2-CG2 4.44Å; I519-V523 WeakPolarHBondContact O-CG2 3.43Å; I519-V523 PolarHBondContact O-N 3.04Å; V523-I525 VanDerWaalsContact C-N 3.32Å; V523-I525 PolarHBondContact O-N 2.98Å; V523-N527 WeakPolarHBondContact CG1-ND2 3.45Å; V523-N527 WeakPolarHBondContact O-CB 3.33Å; V523-N527 PolarHBondContact O-N 2.7Å; V523-N527 PolarHBondContact O-ND2 2.83Å |
| 524 | L | 91 | Very high | 91.2 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -64.6 | -34.6 | 172.9 | -76.8 | 170 | 0 | 0 | 0 | 113 | L480 C484 F488 L498 A520 L521 Q522 Q528 | L480-L524 HydrophobicContact CB-CD1 4.48Å; C484-L524 HydrophobicContact CB-CD2 4.22Å; F488-L524 HydrophobicContact CE2-CD2 4.49Å; L498-L524 HydrophobicContact CD2-CB 4.14Å; L498-L524 HydrophobicContact CD2-CD1 4.44Å; A520-L524 WeakPolarHBondContact O-CB 3.46Å; A520-L524 WeakPolarHBondContact O-CD1 3.49Å; A520-L524 WeakPolarHBondContact O-CG 3.42Å; A520-L524 PolarHBondContact O-N 2.93Å; A520-L524 VanDerWaalsContact O-N 3.1Å; L521-L524 PolarHBondContact O-N 3.43Å; Q522-L524 VanDerWaalsContact C-N 3.31Å; Q522-L524 PolarHBondContact O-N 2.9Å; L524-Q528 WeakPolarHBondContact O-CB 3.49Å; L524-Q528 PolarHBondContact O-N 3.34Å |
| 525 | I | 91.1 | Very high | 91.1 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72 | -46 | 179.2 | -71.9 | 163.5 | 0 | 0 | 0 | 110.8 | L521 Q522 V523 N527 Q528 A531 K532 I535 M565 E568 Y569 | L521-I525 HydrophobicContact CD1-CD1 4.02Å; L521-I525 HydrophobicContact CD1-CG1 4.48Å; L521-I525 HydrophobicContact CG-CD1 3.84Å; L521-I525 WeakPolarHBondContact O-CD1 3.48Å; L521-I525 VanDerWaalsContact O-CG1 3.26Å; L521-I525 WeakPolarHBondContact O-CG1 3.46Å; L521-I525 PolarHBondContact O-N 3.03Å; L521-I525 VanDerWaalsContact O-N 3.09Å; Q522-I525 WeakPolarHBondContact O-CB 3.44Å; Q522-I525 PolarHBondContact O-N 3.3Å; Q522-I525 VanDerWaalsContact O-N 3.07Å; V523-I525 VanDerWaalsContact C-N 3.32Å; V523-I525 PolarHBondContact O-N 2.98Å; I525-N527 PolarHBondContact O-N 2.6Å; I525-Q528 PolarHBondContact O-N 3.08Å; I525-A531 HydrophobicContact CG1-CB 4.41Å; I525-K532 HydrophobicContact CG2-CG 4.05Å; I525-I535 HydrophobicContact CD1-CB 4.34Å; I525-I535 HydrophobicContact CD1-CG1 4.23Å; I525-I535 HydrophobicContact CD1-CG2 3.98Å; I525-I535 HydrophobicContact CG1-CG1 4.41Å; I525-M565 HydrophobicContact CD1-CE 3.6Å; I525-M565 HydrophobicContact CD1-SD 3.52Å; I525-M565 VanDerWaalsContact CD1-SD 3.52Å; I525-E568 HydrophobicContact CG2-CB 4.38Å; I525-E568 HydrophobicContact CG2-CG 4.45Å; I525-Y569 HydrophobicContact CD1-CE2 4.13Å; I525-Y569 HydrophobicContact CG2-CE2 3.8Å; I525-Y569 WeakPolarHBondContact CG2-OH 3.47Å |
| 526 | S | 89.4 | Confident | 91 | Very high | 45 Ų | 45 | 36.4 Ų | 36.4 | 32% | 0.315 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -64.9 | -38 | -179.2 | -61.2 | 0 | 0 | 0 | 0 | 112.3 | Q522 | Q522-S526 PolarHBondContact NE2-OG 3.36Å; Q522-S526 PolarHBondContact O-N 2.85Å; Q522-S526 PolarHBondContact O-OG 3.04Å |
| 527 | N | 86.9 | Confident | 90.9 | Very high | 83 Ų | 83 | 40.8 Ų | 40.8 | 44% | 0.444 | 21% | 0.208 | S | C | . | . | H | α-helix | trans | -85.3 | -9.9 | -177.2 | -74.8 | -69.1 | 0 | 0 | 0 | 114.8 | C484 V523 I525 | C484-N527 PolarHBondContact SG-ND2 3.39Å; V523-N527 WeakPolarHBondContact CG1-ND2 3.45Å; V523-N527 WeakPolarHBondContact O-CB 3.33Å; V523-N527 PolarHBondContact O-N 2.7Å; V523-N527 PolarHBondContact O-ND2 2.83Å; I525-N527 PolarHBondContact O-N 2.6Å |
| 528 | Q | 84.3 | Confident | 90.7 | Very high | 21 Ų | 21 | 45.7 Ų | 45.7 | 10% | 0.098 | 23% | 0.227 | C | C | . | . | trans | -136.9 | 107.1 | -174.1 | -53.8 | -163.7 | 24.1 | 0 | 0 | 112.6 | C484 V486 F488 L494 L524 I525 K530 A531 | C484-Q528 PolarHBondContact O-NE2 2.87Å; V486-Q528 PolarHBondContact O-NE2 3.06Å; F488-Q528 VanDerWaalsContact CD2-NE2 3.27Å; F488-Q528 VanDerWaalsContact CE2-NE2 3.31Å; L494-Q528 VanDerWaalsContact CD2-OE1 3.3Å; L524-Q528 WeakPolarHBondContact O-CB 3.49Å; L524-Q528 PolarHBondContact O-N 3.34Å; I525-Q528 PolarHBondContact O-N 3.08Å; Q528-K530 VanDerWaalsContact C-N 3.33Å; Q528-K530 PolarHBondContact O-N 2.73Å; Q528-A531 HydrophobicContact CB-CB 4.08Å; Q528-A531 WeakPolarHBondContact O-CB 3.47Å; Q528-A531 PolarHBondContact O-N 3Å | ||
| 529 | E | 84.2 | Confident | 90.6 | Very high | 167 Ų | 167 | 45.9 Ų | 45.9 | 78% | 0.78 | 23% | 0.228 | S | C | * | . | H | α-helix | trans | -51.7 | -46.4 | -179.1 | -65.2 | 179.9 | 166.3 | 0 | 0 | 113.7 | A531 K532 | E529-A531 PolarHBondContact O-N 3.01Å; E529-K532 WeakPolarHBondContact O-CB 3.39Å; E529-K532 PolarHBondContact O-N 3.19Å; E529-K532 VanDerWaalsContact O-N 3.11Å |
| 530 | K | 87.6 | Confident | 90.5 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 40% | 0.404 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -64.2 | -21.8 | 179.8 | -69.5 | -172.4 | -177.4 | 178.7 | 0 | 113.4 | D491 L494 Q528 K532 E533 Y534 | D491-K530 IonicContact OD1-NZ 3.28Å; D491-K530 PolarHBondContact OD1-NZ 3.05Å; D491-K530 IonicContact OD2-NZ 3.51Å; D491-K530 PolarHBondContact OD2-NZ 2.73Å; L494-K530 HydrophobicContact CD2-CB 4.05Å; Q528-K530 VanDerWaalsContact C-N 3.33Å; Q528-K530 PolarHBondContact O-N 2.73Å; K530-K532 PolarHBondContact O-N 3.09Å; K530-E533 PolarHBondContact O-N 3.41Å; K530-Y534 HydrophobicContact CB-CE2 4.23Å; K530-Y534 WeakPolarHBondContact O-CD2 3.44Å |
| 531 | A | 87.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 53.2 Ų | 53.2 | 0% | 0 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -65.3 | -33.8 | 177 | 0 | 0 | 0 | 0 | 0 | 111.5 | L498 I525 Q528 E529 E533 Y534 I535 | L498-A531 HydrophobicContact CD1-CB 3.63Å; L498-A531 HydrophobicContact CD2-CB 3.91Å; L498-A531 HydrophobicContact CG-CB 4.37Å; I525-A531 HydrophobicContact CG1-CB 4.41Å; Q528-A531 HydrophobicContact CB-CB 4.08Å; Q528-A531 WeakPolarHBondContact O-CB 3.47Å; Q528-A531 PolarHBondContact O-N 3Å; E529-A531 PolarHBondContact O-N 3.01Å; A531-E533 VanDerWaalsContact C-N 3.35Å; A531-E533 PolarHBondContact O-N 3.36Å; A531-Y534 PolarHBondContact O-N 3.46Å; A531-I535 PolarHBondContact O-N 3.43Å; A531-I535 VanDerWaalsContact O-N 3.1Å |
| 532 | K | 89.1 | Confident | 90.4 | Very high | 64 Ų | 64 | 53.1 Ų | 53.1 | 28% | 0.278 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -56 | -49.2 | 177.8 | -56.6 | -177.5 | -172.6 | -173.7 | 0 | 111 | I525 E529 K530 Y534 I535 A536 E568 Y569 | I525-K532 HydrophobicContact CG2-CG 4.05Å; E529-K532 WeakPolarHBondContact O-CB 3.39Å; E529-K532 PolarHBondContact O-N 3.19Å; E529-K532 VanDerWaalsContact O-N 3.11Å; K530-K532 PolarHBondContact O-N 3.09Å; K532-Y534 VanDerWaalsContact C-N 3.34Å; K532-Y534 PolarHBondContact O-N 3.49Å; K532-I535 PolarHBondContact O-N 3.36Å; K532-A536 WeakPolarHBondContact O-CB 3.27Å; K532-A536 PolarHBondContact O-N 3.03Å; K532-E568 WeakPolarHBondContact CE-OE2 3.35Å; K532-E568 VanDerWaalsContact NZ-CD 3.3Å; K532-E568 IonicContact NZ-OE1 2.84Å; K532-E568 PolarHBondContact NZ-OE1 3.17Å; K532-E568 IonicContact NZ-OE2 2.96Å; K532-E568 PolarHBondContact NZ-OE2 3.37Å; K532-Y569 WeakPolarHBondContact CA-OH 3.31Å; K532-Y569 HydrophobicContact CB-CE1 4.4Å; K532-Y569 WeakPolarHBondContact O-CE1 3.48Å |
| 533 | E | 90.2 | Very high | 90.4 | Very high | 144 Ų | 144 | 52.6 Ų | 52.6 | 67% | 0.673 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -61.2 | -38.2 | 178.7 | -62.4 | -176 | -172 | 0 | 0 | 113.5 | K530 A531 | K530-E533 PolarHBondContact O-N 3.41Å; A531-E533 VanDerWaalsContact C-N 3.35Å; A531-E533 PolarHBondContact O-N 3.36Å |
| 534 | Y | 90.9 | Very high | 90.4 | Very high | 63 Ų | 63 | 55.6 Ų | 55.6 | 25% | 0.247 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -77.4 | -29 | -176.5 | -64.5 | -45 | 0 | 0 | 0 | 113.6 | L494 Q495 L498 K530 A531 K532 | L494-Y534 HydrophobicContact CD2-CE2 4.45Å; Q495-Y534 HydrophobicContact CG-CD1 4.1Å; Q495-Y534 HydrophobicContact CG-CD2 3.77Å; Q495-Y534 HydrophobicContact CG-CE1 3.9Å; Q495-Y534 HydrophobicContact CG-CE2 3.55Å; Q495-Y534 HydrophobicContact CG-CG 4.05Å; Q495-Y534 PolarHBondContact NE2-OH 2.92Å; L498-Y534 HydrophobicContact CD1-CD2 3.97Å; K530-Y534 HydrophobicContact CB-CE2 4.23Å; K530-Y534 WeakPolarHBondContact O-CD2 3.44Å; A531-Y534 PolarHBondContact O-N 3.46Å; K532-Y534 VanDerWaalsContact C-N 3.34Å; K532-Y534 PolarHBondContact O-N 3.49Å |
| 535 | I | 93.3 | Very high | 90.5 | Very high | 2 Ų | 2 | 56.3 Ų | 56.3 | 1% | 0.01 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -91.1 | -25.6 | -179 | -67.2 | -63.2 | 0 | 0 | 0 | 112.4 | L498 R502 L521 I525 A531 K532 P537 Y538 I539 Y569 | L498-I535 HydrophobicContact CB-CD1 4.13Å; L498-I535 HydrophobicContact CD2-CD1 4.45Å; L498-I535 HydrophobicContact CD2-CG1 4.14Å; R502-I535 HydrophobicContact CB-CD1 4.38Å; L521-I535 HydrophobicContact CD1-CD1 3.99Å; L521-I535 HydrophobicContact CD1-CG1 4.25Å; I525-I535 HydrophobicContact CD1-CB 4.34Å; I525-I535 HydrophobicContact CD1-CG1 4.23Å; I525-I535 HydrophobicContact CD1-CG2 3.98Å; I525-I535 HydrophobicContact CG1-CG1 4.41Å; A531-I535 PolarHBondContact O-N 3.43Å; A531-I535 VanDerWaalsContact O-N 3.1Å; K532-I535 PolarHBondContact O-N 3.36Å; I535-P537 VanDerWaalsContact C-N 3.3Å; I535-Y538 CarbonylContact O-C 3.04Å; I535-Y538 WeakPolarHBondContact O-CA 3.39Å; I535-Y538 PolarHBondContact O-N 3.3Å; I535-I539 PolarHBondContact O-N 3.37Å; I535-I539 VanDerWaalsContact O-N 3.16Å; I535-Y569 WeakPolarHBondContact CB-OH 3.3Å |
| 536 | A | 91.5 | Very high | 90.6 | Very high | 22 Ų | 22 | 56.5 Ų | 56.5 | 18% | 0.182 | 28% | 0.278 | C | S | . | . | G | 310 helix | trans | -43.9 | -43.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 114.8 | K532 Y538 I539 Y569 | K532-A536 WeakPolarHBondContact O-CB 3.27Å; K532-A536 PolarHBondContact O-N 3.03Å; A536-Y538 PolarHBondContact O-N 2.94Å; A536-Y538 VanDerWaalsContact O-N 3.12Å; A536-I539 WeakPolarHBondContact O-CG2 3.22Å; A536-I539 PolarHBondContact O-N 3.43Å; A536-Y569 HydrophobicContact CB-CD1 4.46Å; A536-Y569 HydrophobicContact CB-CE1 4.18Å |
| 537 | P | 92.6 | Very high | 90.6 | Very high | 98 Ų | 98 | 54.8 Ų | 54.8 | 64% | 0.636 | 27% | 0.265 | S | S | * | . | G | 310 helix | trans | -66.4 | -16.4 | 178.1 | -19.5 | 32.9 | 0 | 0 | 0 | 115 | I535 | I535-P537 VanDerWaalsContact C-N 3.3Š|
| 538 | Y | 93.4 | Very high | 90.7 | Very high | 102 Ų | 102 | 54.8 Ų | 54.8 | 40% | 0.4 | 26% | 0.262 | S | S | . | . | G | 310 helix | trans | -115.6 | 3.6 | -173.9 | -55.5 | -84.4 | 0 | 0 | 0 | 113 | I535 A536 R540 P541 V542 | I535-Y538 CarbonylContact O-C 3.04Å; I535-Y538 WeakPolarHBondContact O-CA 3.39Å; I535-Y538 PolarHBondContact O-N 3.3Å; A536-Y538 PolarHBondContact O-N 2.94Å; A536-Y538 VanDerWaalsContact O-N 3.12Å; Y538-R540 VanDerWaalsContact C-N 3.34Å; Y538-R540 PolarHBondContact O-N 2.83Å; Y538-P541 WeakPolarHBondContact O-CD 3.32Å; Y538-V542 WeakPolarHBondContact O-CG2 3.45Å; Y538-V542 PolarHBondContact O-N 3.09Å; Y538-V542 VanDerWaalsContact O-N 3.08Å |
| 539 | I | 92.2 | Very high | 91 | Very high | 5 Ų | 5 | 53.9 Ų | 53.9 | 3% | 0.026 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -58.3 | -43.8 | -176 | -171.8 | 58 | 0 | 0 | 0 | 112.2 | I535 A536 V542 M543 M565 Y569 E572 V573 | I535-I539 PolarHBondContact O-N 3.37Å; I535-I539 VanDerWaalsContact O-N 3.16Å; A536-I539 WeakPolarHBondContact O-CG2 3.22Å; A536-I539 PolarHBondContact O-N 3.43Å; I539-V542 CarbonylContact O-C 3.56Å; I539-V542 WeakPolarHBondContact O-CA 3.36Å; I539-V542 WeakPolarHBondContact O-CB 3.26Å; I539-V542 PolarHBondContact O-N 3.4Å; I539-V542 VanDerWaalsContact O-N 3.09Å; I539-M543 HydrophobicContact CD1-CG 3.98Å; I539-M543 HydrophobicContact CD1-SD 4Å; I539-M543 HydrophobicContact CG1-CG 4.08Å; I539-M543 WeakPolarHBondContact O-CG 3.31Å; I539-M543 PolarHBondContact O-N 3.06Å; I539-M565 HydrophobicContact CD1-CE 3.44Å; I539-M565 VanDerWaalsContact CD1-CE 3.44Å; I539-Y569 HydrophobicContact CD1-CD1 4.5Å; I539-Y569 HydrophobicContact CD1-CD2 3.47Å; I539-Y569 VanDerWaalsContact CD1-CD2 3.47Å; I539-Y569 HydrophobicContact CD1-CE2 3.86Å; I539-Y569 HydrophobicContact CD1-CG 3.82Å; I539-Y569 HydrophobicContact CG1-CD1 4.4Å; I539-Y569 HydrophobicContact CG1-CD2 4.08Å; I539-Y569 HydrophobicContact CG1-CG 3.89Å; I539-E572 HydrophobicContact CG2-CB 3.53Å; I539-E572 HydrophobicContact CG2-CG 4.17Å; I539-V573 HydrophobicContact CG1-CG2 4.5Å |
| 540 | R | 91 | Very high | 91.2 | Very high | 121 Ų | 121 | 46 Ų | 46 | 46% | 0.457 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -58.8 | -52.6 | 178.9 | 176 | 177.9 | -167.5 | 169.4 | 10.9 | 113 | Y538 V542 M543 Q544 I576 E579 | Y538-R540 VanDerWaalsContact C-N 3.34Å; Y538-R540 PolarHBondContact O-N 2.83Å; R540-V542 VanDerWaalsContact C-N 3.27Å; R540-V542 PolarHBondContact O-N 3.08Å; R540-M543 PolarHBondContact O-N 2.64Å; R540-Q544 WeakPolarHBondContact O-CG 3.35Å; R540-Q544 PolarHBondContact O-N 3.31Å; R540-I576 HydrophobicContact CB-CD1 4.3Å; R540-I576 HydrophobicContact CG-CD1 4.32Å; R540-I576 HydrophobicContact CG-CG2 4.1Å; R540-E579 IonicContact CZ-OE2 2.71Å; R540-E579 IonicContact NH2-OE2 4Å; R540-E579 PolarHBondContact NH2-OE2 2.94Å |
| 541 | P | 93.1 | Very high | 91.1 | Very high | 52 Ų | 52 | 46 Ų | 46 | 34% | 0.338 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -56 | -37.8 | 171.7 | -28.1 | 31.9 | 0 | 0 | 0 | 114.4 | I506 Y538 A545 | I506-P541 HydrophobicContact CD1-CB 3.94Å; Y538-P541 WeakPolarHBondContact O-CD 3.32Å; P541-A545 WeakPolarHBondContact O-CB 3.26Å; P541-A545 PolarHBondContact O-N 3.35Å |
| 542 | V | 94.9 | Very high | 91 | Very high | 0 Ų | 0 | 50 Ų | 50 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -64.2 | -51 | 177.4 | 166.3 | 0 | 0 | 0 | 0 | 110.5 | R502 L505 I506 L521 Y538 I539 R540 Q544 A545 L546 M565 | R502-V542 HydrophobicContact CG-CG2 4.04Å; L505-V542 HydrophobicContact CD2-CB 4.49Å; L505-V542 HydrophobicContact CD2-CG1 3.81Å; L505-V542 HydrophobicContact CD2-CG2 4.43Å; I506-V542 HydrophobicContact CD1-CG2 4.17Å; L521-V542 HydrophobicContact CD2-CG1 3.95Å; L521-V542 HydrophobicContact CD2-CG2 4.11Å; Y538-V542 WeakPolarHBondContact O-CG2 3.45Å; Y538-V542 PolarHBondContact O-N 3.09Å; Y538-V542 VanDerWaalsContact O-N 3.08Å; I539-V542 CarbonylContact O-C 3.56Å; I539-V542 WeakPolarHBondContact O-CA 3.36Å; I539-V542 WeakPolarHBondContact O-CB 3.26Å; I539-V542 PolarHBondContact O-N 3.4Å; I539-V542 VanDerWaalsContact O-N 3.09Å; R540-V542 VanDerWaalsContact C-N 3.27Å; R540-V542 PolarHBondContact O-N 3.08Å; V542-Q544 VanDerWaalsContact C-N 3.32Å; V542-Q544 PolarHBondContact O-N 2.99Å; V542-A545 WeakPolarHBondContact O-CB 3.27Å; V542-A545 PolarHBondContact O-N 3.41Å; V542-A545 VanDerWaalsContact O-N 3.12Å; V542-L546 HydrophobicContact CG1-CD1 3.99Å; V542-L546 HydrophobicContact CG1-CG 4.42Å; V542-L546 WeakPolarHBondContact O-CG 3.33Å; V542-L546 PolarHBondContact O-N 2.89Å; V542-M565 HydrophobicContact CG1-CE 3.96Å |
| 543 | M | 92.6 | Very high | 90.8 | Very high | 1 Ų | 1 | 47 Ų | 47 | 1% | 0.005 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -61.4 | -39.5 | 178.7 | -62 | -51.5 | -79.5 | 0 | 0 | 112.2 | I539 R540 A545 L546 L547 I562 M565 I566 I576 M580 | I539-M543 HydrophobicContact CD1-CG 3.98Å; I539-M543 HydrophobicContact CD1-SD 4Å; I539-M543 HydrophobicContact CG1-CG 4.08Å; I539-M543 WeakPolarHBondContact O-CG 3.31Å; I539-M543 PolarHBondContact O-N 3.06Å; R540-M543 PolarHBondContact O-N 2.64Å; M543-A545 VanDerWaalsContact C-N 3.35Å; M543-A545 PolarHBondContact O-N 3.13Å; M543-L546 PolarHBondContact O-N 3.41Å; M543-L546 HydrophobicContact SD-CD1 3.99Å; M543-L547 WeakPolarHBondContact O-CB 3.41Å; M543-L547 VanDerWaalsContact O-CG 3.32Å; M543-L547 WeakPolarHBondContact O-CG 3.4Å; M543-L547 PolarHBondContact O-N 3.45Å; M543-I562 HydrophobicContact CE-CG2 3.75Å; M543-M565 HydrophobicContact CE-CB 4.17Å; M543-M565 HydrophobicContact SD-CB 3.79Å; M543-I566 HydrophobicContact CE-CD1 4.49Å; M543-I566 HydrophobicContact CE-CG1 3.77Å; M543-I576 HydrophobicContact CB-CD1 4.26Å; M543-I576 HydrophobicContact CG-CD1 4.38Å; M543-M580 HydrophobicContact CB-SD 4.31Å; M543-M580 HydrophobicContact CE-CE 3.36Å; M543-M580 HydrophobicContact CE-SD 4.25Å |
| 544 | Q | 91.1 | Very high | 90.4 | Very high | 84 Ų | 84 | 42 Ų | 42 | 39% | 0.393 | 20% | 0.201 | S | C | . | . | H | α-helix | trans | -63.7 | -39.6 | 174.9 | -74.2 | 178.5 | -27.3 | 0 | 0 | 112.4 | R540 V542 H548 E579 | R540-Q544 WeakPolarHBondContact O-CG 3.35Å; R540-Q544 PolarHBondContact O-N 3.31Å; V542-Q544 VanDerWaalsContact C-N 3.32Å; V542-Q544 PolarHBondContact O-N 2.99Å; Q544-H548 PolarHBondContact O-N 2.64Å; Q544-E579 PolarHBondContact NE2-OE1 2.98Å |
| 545 | A | 93.3 | Very high | 90 | Very high | 16 Ų | 16 | 39.7 Ų | 39.7 | 13% | 0.132 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -65.9 | -45.6 | 174.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | L505 I506 P541 V542 M543 L547 H548 I549 | L505-A545 HydrophobicContact CG-CB 4.25Å; I506-A545 HydrophobicContact CG1-CB 4.48Å; P541-A545 WeakPolarHBondContact O-CB 3.26Å; P541-A545 PolarHBondContact O-N 3.35Å; V542-A545 WeakPolarHBondContact O-CB 3.27Å; V542-A545 PolarHBondContact O-N 3.41Å; V542-A545 VanDerWaalsContact O-N 3.12Å; M543-A545 VanDerWaalsContact C-N 3.35Å; M543-A545 PolarHBondContact O-N 3.13Å; A545-L547 PolarHBondContact O-N 3.33Å; A545-H548 PolarHBondContact O-N 3.35Å; A545-I549 WeakPolarHBondContact O-CD1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.26Å; A545-I549 PolarHBondContact O-N 3.35Å |
| 546 | L | 92.9 | Very high | 89.5 | Confident | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.016 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -58.4 | -48.6 | 178 | -69 | 172 | 0 | 0 | 0 | 112 | L505 A518 V542 M543 H548 I549 V550 V561 I562 M565 | L505-L546 HydrophobicContact CD1-CD2 4.1Å; L505-L546 HydrophobicContact CD2-CD2 4.22Å; L505-L546 HydrophobicContact CD2-CG 4.38Å; A518-L546 HydrophobicContact CB-CD2 3.35Å; V542-L546 HydrophobicContact CG1-CD1 3.99Å; V542-L546 HydrophobicContact CG1-CG 4.42Å; V542-L546 WeakPolarHBondContact O-CG 3.33Å; V542-L546 PolarHBondContact O-N 2.89Å; M543-L546 PolarHBondContact O-N 3.41Å; M543-L546 HydrophobicContact SD-CD1 3.99Å; L546-H548 VanDerWaalsContact C-N 3.29Å; L546-H548 PolarHBondContact O-N 2.89Å; L546-I549 PolarHBondContact O-N 3.29Å; L546-I549 VanDerWaalsContact O-N 3.13Å; L546-V550 WeakPolarHBondContact O-CG2 3.49Å; L546-V550 PolarHBondContact O-N 3.07Å; L546-V561 HydrophobicContact CD1-CG1 4.14Å; L546-V561 HydrophobicContact CD2-CG1 3.89Å; L546-I562 HydrophobicContact CB-CD1 3.98Å; L546-I562 HydrophobicContact CB-CG1 3.75Å; L546-I562 HydrophobicContact CD1-CG1 4.13Å; L546-I562 HydrophobicContact CG-CG1 4.47Å; L546-M565 HydrophobicContact CD1-CG 4.35Å |
| 547 | L | 89.3 | Confident | 89.2 | Confident | 10 Ų | 10 | 43.6 Ų | 43.6 | 5% | 0.052 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -59.5 | -39.1 | 177.4 | -74.8 | 172.1 | 0 | 0 | 0 | 112.6 | M543 A545 R551 I562 M580 H583 L584 | M543-L547 WeakPolarHBondContact O-CB 3.41Å; M543-L547 VanDerWaalsContact O-CG 3.32Å; M543-L547 WeakPolarHBondContact O-CG 3.4Å; M543-L547 PolarHBondContact O-N 3.45Å; A545-L547 PolarHBondContact O-N 3.33Å; L547-R551 PolarHBondContact O-N 3.29Å; L547-I562 HydrophobicContact CD2-CD1 4Å; L547-I562 HydrophobicContact CG-CD1 4.41Å; L547-M580 HydrophobicContact CD1-CB 4.02Å; L547-M580 HydrophobicContact CD1-CG 3.79Å; L547-H583 HydrophobicContact CD1-CB 4.29Å; L547-H583 PolarHBondContact O-CE1 2.79Å; L547-L584 HydrophobicContact CD2-CD1 4.47Å; L547-L584 HydrophobicContact CD2-CD2 3.55Å; L547-L584 HydrophobicContact CD2-CG 3.75Å |
| 548 | H | 89.8 | Confident | 89 | Confident | 83 Ų | 83 | 39 Ų | 39 | 38% | 0.384 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -66.3 | -42.1 | 175.7 | 177.6 | 45.5 | 0 | 0 | 0 | 111.9 | Q544 A545 L546 R551 E552 | Q544-H548 PolarHBondContact O-N 2.64Å; A545-H548 PolarHBondContact O-N 3.35Å; L546-H548 VanDerWaalsContact C-N 3.29Å; L546-H548 PolarHBondContact O-N 2.89Å; H548-R551 PolarHBondContact O-N 3.01Å; H548-E552 VanDerWaalsContact CE1-CG 3.49Å; H548-E552 WeakPolarHBondContact CE1-CG 3.29Å; H548-E552 IonicContact CE1-OE1 2.56Å; H548-E552 WeakPolarHBondContact O-CG 3.43Å; H548-E552 PolarHBondContact O-N 3.32Å |
| 549 | I | 90.7 | Very high | 88.8 | Confident | 1 Ų | 1 | 34.2 Ų | 34.2 | 1% | 0.005 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.7 | -49.8 | 179.7 | -61.4 | 156.6 | 0 | 0 | 0 | 110 | L505 M511 K514 V515 A545 L546 R551 E552 T553 L558 | L505-I549 HydrophobicContact CD1-CD1 3.42Å; L505-I549 VanDerWaalsContact CD1-CD1 3.42Å; M511-I549 HydrophobicContact SD-CB 4.46Å; M511-I549 HydrophobicContact SD-CG1 4.12Å; M511-I549 HydrophobicContact SD-CG2 3.96Å; K514-I549 HydrophobicContact CB-CD1 3.74Å; K514-I549 HydrophobicContact CB-CG1 4.22Å; K514-I549 HydrophobicContact CD-CD1 4.34Å; K514-I549 HydrophobicContact CD-CG1 4.32Å; V515-I549 HydrophobicContact CG2-CG2 3.79Å; A545-I549 WeakPolarHBondContact O-CD1 3.32Å; A545-I549 WeakPolarHBondContact O-CG1 3.26Å; A545-I549 PolarHBondContact O-N 3.35Å; L546-I549 PolarHBondContact O-N 3.29Å; L546-I549 VanDerWaalsContact O-N 3.13Å; I549-R551 PolarHBondContact O-N 3.47Å; I549-R551 VanDerWaalsContact O-N 3.15Å; I549-E552 PolarHBondContact O-N 3.38Å; I549-T553 HydrophobicContact CG2-CG2 3.83Å; I549-T553 PolarHBondContact O-N 3.26Å; I549-T553 PolarHBondContact O-OG1 3.29Å; I549-L558 HydrophobicContact CB-CD1 4.2Å; I549-L558 HydrophobicContact CG2-CD1 3.33Å |
| 550 | V | 88.2 | Confident | 88.7 | Confident | 2 Ų | 2 | 37.1 Ų | 37.1 | 1% | 0.012 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -51.4 | -42.5 | 177.3 | 169.6 | 0 | 0 | 0 | 0 | 111.4 | L546 E552 E554 L558 T559 I562 | L546-V550 WeakPolarHBondContact O-CG2 3.49Å; L546-V550 PolarHBondContact O-N 3.07Å; V550-E552 PolarHBondContact O-N 3.15Å; V550-E554 WeakPolarHBondContact O-CA 3.42Å; V550-E554 PolarHBondContact O-N 2.91Å; V550-L558 HydrophobicContact CG2-CB 3.52Å; V550-L558 HydrophobicContact CG2-CD1 4.39Å; V550-T559 HydrophobicContact CG1-CG2 4.3Å; V550-I562 HydrophobicContact CG2-CD1 3.7Å |
| 551 | R | 84.8 | Confident | 88.8 | Confident | 93 Ų | 93 | 31.6 Ų | 31.6 | 35% | 0.351 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -68.6 | -31.9 | 180 | -179.6 | 175.6 | 178.5 | -161.9 | -2.1 | 114.1 | L547 H548 I549 T587 | L547-R551 PolarHBondContact O-N 3.29Å; H548-R551 PolarHBondContact O-N 3.01Å; I549-R551 PolarHBondContact O-N 3.47Å; I549-R551 VanDerWaalsContact O-N 3.15Å; R551-T587 HydrophobicContact CB-CG2 4.21Å; R551-T587 HydrophobicContact CG-CG2 4.34Å |
| 552 | E | 86.2 | Confident | 88.7 | Confident | 84 Ų | 84 | 29.2 Ų | 29.2 | 39% | 0.393 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -88.5 | -35.1 | -178.7 | -66.7 | -76.7 | 148.9 | 0 | 0 | 112.2 | Y373 M511 H548 I549 V550 | Y373-E552 HydrophobicContact CE1-CB 3.93Å; Y373-E552 WeakPolarHBondContact CE1-O 3.42Å; Y373-E552 PolarHBondContact OH-OE2 3.1Å; Y373-E552 VanDerWaalsContact OH-OE2 3.14Å; M511-E552 HydrophobicContact CE-CB 3.88Å; M511-E552 HydrophobicContact CE-CG 4.21Å; H548-E552 VanDerWaalsContact CE1-CG 3.49Å; H548-E552 WeakPolarHBondContact CE1-CG 3.29Å; H548-E552 IonicContact CE1-OE1 2.56Å; H548-E552 WeakPolarHBondContact O-CG 3.43Å; H548-E552 PolarHBondContact O-N 3.32Å; I549-E552 PolarHBondContact O-N 3.38Å; V550-E552 PolarHBondContact O-N 3.15Å |
| 553 | T | 84.4 | Confident | 88.5 | Confident | 2 Ų | 2 | 31 Ų | 31 | 1% | 0.012 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -94 | -23.7 | -174.5 | 63.2 | 0 | 0 | 0 | 0 | 113.5 | Y373 I376 M511 V515 I549 N555 | Y373-T553 HydrophobicContact CD1-CG2 4.11Å; Y373-T553 HydrophobicContact CE1-CG2 4.18Å; I376-T553 HydrophobicContact CD1-CG2 3.93Å; M511-T553 HydrophobicContact CG-CG2 3.53Å; M511-T553 HydrophobicContact SD-CG2 4Å; V515-T553 HydrophobicContact CG2-CG2 4.06Å; I549-T553 HydrophobicContact CG2-CG2 3.83Å; I549-T553 PolarHBondContact O-N 3.26Å; I549-T553 PolarHBondContact O-OG1 3.29Å; T553-N555 PolarHBondContact O-N 3.37Å |
| 554 | E | 81.6 | Confident | 88.5 | Confident | 38 Ų | 38 | 36.2 Ų | 36.2 | 18% | 0.178 | 17% | 0.173 | C | C | . | . | trans | 51.5 | 43.3 | -173.3 | -57.3 | 173.8 | 168.6 | 0 | 0 | 110.9 | R377 V550 T607 | R377-E554 IonicContact NH2-OE2 2.81Å; R377-E554 PolarHBondContact NH2-OE2 2.99Å; V550-E554 WeakPolarHBondContact O-CA 3.42Å; V550-E554 PolarHBondContact O-N 2.91Å; E554-T607 HydrophobicContact CB-CG2 4.46Å; E554-T607 PolarHBondContact O-OG1 3.17Å; E554-T607 VanDerWaalsContact O-OG1 3.11Å | ||
| 555 | N | 82.6 | Confident | 88.5 | Confident | 14 Ų | 14 | 32.3 Ų | 32.3 | 8% | 0.075 | 16% | 0.155 | C | C | . | . | trans | -104.4 | 126.2 | -178.5 | 172.2 | -74.2 | 0 | 0 | 0 | 108.9 | F380 T553 D557 L558 | F380-N555 WeakPolarHBondContact CB-ND2 3Å; F380-N555 WeakPolarHBondContact CG-ND2 3.02Å; T553-N555 PolarHBondContact O-N 3.37Å; N555-D557 WeakPolarHBondContact OD1-CB 3.17Å; N555-D557 PolarHBondContact OD1-N 3.02Å; N555-L558 HydrophobicContact CB-CD1 4.28Å; N555-L558 HydrophobicContact CB-CG 4.48Å; N555-L558 PolarHBondContact OD1-N 3.28Å | ||
| 556 | D | 83.2 | Confident | 88.4 | Confident | 41 Ų | 41 | 31.6 Ų | 31.6 | 22% | 0.219 | 15% | 0.149 | C | C | . | . | S | Bend | trans | -73.6 | -32.8 | -175.5 | -176.2 | 56.3 | 0 | 0 | 0 | 113.8 | L558 T559 N560 V606 G610 | D556-L558 PolarHBondContact O-N 2.78Å; D556-T559 WeakPolarHBondContact O-CB 3.45Å; D556-T559 PolarHBondContact O-N 3.44Å; D556-T559 PolarHBondContact O-OG1 3.43Å; D556-T559 PolarHBondContact OD1-OG1 3.22Å; D556-N560 PolarHBondContact O-N 2.98Å; D556-V606 HydrophobicContact CB-CG1 3.98Å; D556-G610 WeakPolarHBondContact OD1-CA 3.19Å |
| 557 | D | 85.4 | Confident | 88.3 | Confident | 66 Ų | 66 | 35.1 Ų | 35.1 | 35% | 0.353 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -55.4 | -30.7 | 177.5 | -61.2 | -68.8 | 0 | 0 | 0 | 112.3 | F380 N555 N560 V561 | F380-D557 VanDerWaalsContact CD1-OD2 3.26Å; F380-D557 WeakPolarHBondContact CD1-OD2 3.4Å; N555-D557 WeakPolarHBondContact OD1-CB 3.17Å; N555-D557 PolarHBondContact OD1-N 3.02Å; D557-N560 WeakPolarHBondContact O-CB 3.37Å; D557-N560 PolarHBondContact O-N 3.45Å; D557-V561 WeakPolarHBondContact O-CG2 3.22Å; D557-V561 PolarHBondContact O-N 3Å; D557-V561 VanDerWaalsContact O-N 3.09Å |
| 558 | L | 89 | Confident | 88.3 | Confident | 1 Ų | 1 | 37.4 Ų | 37.4 | 1% | 0.005 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -72.9 | -24.8 | 177.1 | -64.2 | 179.1 | 0 | 0 | 0 | 113.8 | V515 A518 I519 I549 V550 N555 D556 V561 I562 | V515-L558 HydrophobicContact CG1-CD1 4.35Å; V515-L558 HydrophobicContact CG1-CD2 4.17Å; V515-L558 HydrophobicContact CG1-CG 4.43Å; V515-L558 HydrophobicContact CG2-CD1 4.21Å; A518-L558 HydrophobicContact CB-CD2 3.63Å; I519-L558 HydrophobicContact CG1-CD2 4.35Å; I549-L558 HydrophobicContact CB-CD1 4.2Å; I549-L558 HydrophobicContact CG2-CD1 3.33Å; V550-L558 HydrophobicContact CG2-CB 3.52Å; V550-L558 HydrophobicContact CG2-CD1 4.39Å; N555-L558 HydrophobicContact CB-CD1 4.28Å; N555-L558 HydrophobicContact CB-CG 4.48Å; N555-L558 PolarHBondContact OD1-N 3.28Å; D556-L558 PolarHBondContact O-N 2.78Å; L558-V561 PolarHBondContact O-N 2.97Å; L558-I562 WeakPolarHBondContact O-CG1 3.49Å; L558-I562 PolarHBondContact O-N 3.36Å |
| 559 | T | 88.9 | Confident | 88.4 | Confident | 1 Ų | 1 | 33.7 Ų | 33.7 | 1% | 0.006 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -66.6 | -43.2 | 172.9 | 73.9 | 0 | 0 | 0 | 0 | 109.6 | V550 D556 V561 I562 Q563 I611 T614 | V550-T559 HydrophobicContact CG1-CG2 4.3Å; D556-T559 WeakPolarHBondContact O-CB 3.45Å; D556-T559 PolarHBondContact O-N 3.44Å; D556-T559 PolarHBondContact O-OG1 3.43Å; D556-T559 PolarHBondContact OD1-OG1 3.22Å; T559-V561 VanDerWaalsContact C-N 3.34Å; T559-V561 PolarHBondContact O-N 3.22Å; T559-I562 WeakPolarHBondContact O-CB 3.15Å; T559-I562 PolarHBondContact O-N 3.31Å; T559-I562 VanDerWaalsContact O-N 3.11Å; T559-Q563 WeakPolarHBondContact O-CG 3.27Å; T559-Q563 PolarHBondContact O-N 3.41Å; T559-I611 HydrophobicContact CG2-CG1 4.3Å; T559-T614 PolarHBondContact O-OG1 2.83Å |
| 560 | N | 90.1 | Very high | 88.3 | Confident | 67 Ų | 67 | 36.1 Ų | 36.1 | 36% | 0.358 | 18% | 0.183 | S | C | . | . | H | α-helix | trans | -61.9 | -39.8 | 173.6 | -67.3 | -38.7 | 0 | 0 | 0 | 112.2 | D556 D557 I562 Q563 K564 | D556-N560 PolarHBondContact O-N 2.98Å; D557-N560 WeakPolarHBondContact O-CB 3.37Å; D557-N560 PolarHBondContact O-N 3.45Å; N560-I562 VanDerWaalsContact C-N 3.33Å; N560-I562 PolarHBondContact O-N 2.96Å; N560-Q563 PolarHBondContact O-N 3.05Å; N560-K564 PolarHBondContact O-N 2.97Å |
| 561 | V | 92.1 | Very high | 88.3 | Confident | 5 Ų | 5 | 43.8 Ų | 43.8 | 3% | 0.03 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.7 | -45.3 | 172.6 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | A518 I519 Q522 L546 D557 L558 T559 M565 | A518-V561 HydrophobicContact CB-CG1 4.43Å; I519-V561 HydrophobicContact CG1-CG2 4.07Å; Q522-V561 HydrophobicContact CB-CB 4.45Å; Q522-V561 HydrophobicContact CB-CG1 3.8Å; Q522-V561 HydrophobicContact CB-CG2 4.28Å; Q522-V561 HydrophobicContact CG-CG1 4.25Å; Q522-V561 HydrophobicContact CG-CG2 4.48Å; L546-V561 HydrophobicContact CD1-CG1 4.14Å; L546-V561 HydrophobicContact CD2-CG1 3.89Å; D557-V561 WeakPolarHBondContact O-CG2 3.22Å; D557-V561 PolarHBondContact O-N 3Å; D557-V561 VanDerWaalsContact O-N 3.09Å; L558-V561 PolarHBondContact O-N 2.97Å; T559-V561 VanDerWaalsContact C-N 3.34Å; T559-V561 PolarHBondContact O-N 3.22Å; V561-M565 HydrophobicContact CG1-CG 4.44Å; V561-M565 WeakPolarHBondContact O-CB 3.46Å; V561-M565 WeakPolarHBondContact O-CG 3.49Å; V561-M565 PolarHBondContact O-N 3Å; V561-M565 VanDerWaalsContact O-N 3.08Å |
| 562 | I | 92.3 | Very high | 88.5 | Confident | 1 Ų | 1 | 42.9 Ų | 42.9 | 1% | 0.005 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.5 | -68 | 172.8 | 0 | 0 | 0 | 110.9 | M543 L546 L547 V550 L558 T559 N560 M565 I566 M580 T614 | M543-I562 HydrophobicContact CE-CG2 3.75Å; L546-I562 HydrophobicContact CB-CD1 3.98Å; L546-I562 HydrophobicContact CB-CG1 3.75Å; L546-I562 HydrophobicContact CD1-CG1 4.13Å; L546-I562 HydrophobicContact CG-CG1 4.47Å; L547-I562 HydrophobicContact CD2-CD1 4Å; L547-I562 HydrophobicContact CG-CD1 4.41Å; V550-I562 HydrophobicContact CG2-CD1 3.7Å; L558-I562 WeakPolarHBondContact O-CG1 3.49Å; L558-I562 PolarHBondContact O-N 3.36Å; T559-I562 WeakPolarHBondContact O-CB 3.15Å; T559-I562 PolarHBondContact O-N 3.31Å; T559-I562 VanDerWaalsContact O-N 3.11Å; N560-I562 VanDerWaalsContact C-N 3.33Å; N560-I562 PolarHBondContact O-N 2.96Å; I562-M565 PolarHBondContact O-N 3.28Å; I562-I566 HydrophobicContact CG2-CD1 3.73Å; I562-I566 HydrophobicContact CG2-CG1 4.27Å; I562-I566 VanDerWaalsContact O-CG1 3.28Å; I562-I566 WeakPolarHBondContact O-CG1 3.32Å; I562-I566 PolarHBondContact O-N 3.2Å; I562-M580 HydrophobicContact CG2-CE 4.32Å; I562-T614 HydrophobicContact CB-CG2 4.16Å; I562-T614 HydrophobicContact CG2-CG2 3.47Å; I562-T614 VanDerWaalsContact CG2-CG2 3.47Å |
| 563 | Q | 90.7 | Very high | 88.6 | Confident | 37 Ų | 37 | 38.9 Ų | 38.9 | 17% | 0.173 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -57.2 | -51.7 | 178.5 | -71.5 | 172.7 | 20.6 | 0 | 0 | 111.6 | T559 N560 M565 I566 C567 G610 T614 T617 | T559-Q563 WeakPolarHBondContact O-CG 3.27Å; T559-Q563 PolarHBondContact O-N 3.41Å; N560-Q563 PolarHBondContact O-N 3.05Å; Q563-M565 VanDerWaalsContact C-N 3.28Å; Q563-M565 PolarHBondContact O-N 3.49Å; Q563-I566 WeakPolarHBondContact O-CB 3.38Å; Q563-I566 PolarHBondContact O-N 3.16Å; Q563-C567 PolarHBondContact O-N 2.81Å; Q563-C567 VanDerWaalsContact O-N 3.11Å; Q563-C567 PolarHBondContact O-SG 3.4Å; Q563-G610 PolarHBondContact NE2-O 2.98Å; Q563-T614 HydrophobicContact CG-CG2 4.18Å; Q563-T614 WeakPolarHBondContact CG-OG1 3.23Å; Q563-T614 PolarHBondContact NE2-OG1 2.91Å; Q563-T617 HydrophobicContact CB-CG2 4.33Å |
| 564 | K | 91.4 | Very high | 88.9 | Confident | 111 Ų | 111 | 39.5 Ų | 39.5 | 48% | 0.483 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 177.7 | -69.6 | -175.2 | -179.8 | -179.3 | 0 | 111.9 | Q522 N560 I566 C567 E568 | Q522-K564 HydrophobicContact CG-CB 3.88Å; Q522-K564 HydrophobicContact CG-CD 4.35Å; Q522-K564 VanDerWaalsContact NE2-CD 3.25Å; N560-K564 PolarHBondContact O-N 2.97Å; K564-I566 VanDerWaalsContact C-N 3.32Å; K564-I566 PolarHBondContact O-N 3.37Å; K564-C567 PolarHBondContact O-N 3.32Å; K564-E568 WeakPolarHBondContact O-CG 3.16Å; K564-E568 PolarHBondContact O-N 3.23Å; K564-E568 VanDerWaalsContact O-N 3.14Å |
| 565 | M | 91.3 | Very high | 89.2 | Confident | 3 Ų | 3 | 42.7 Ų | 42.7 | 2% | 0.015 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -67 | -31.2 | 176.1 | -67.1 | -70.6 | -62.3 | 0 | 0 | 112.9 | Q522 I525 I539 V542 M543 L546 V561 I562 Q563 Y569 | Q522-M565 HydrophobicContact CB-CG 4.35Å; Q522-M565 HydrophobicContact CB-SD 4.2Å; Q522-M565 HydrophobicContact CG-CG 4.29Å; Q522-M565 HydrophobicContact CG-SD 4.41Å; I525-M565 HydrophobicContact CD1-CE 3.6Å; I525-M565 HydrophobicContact CD1-SD 3.52Å; I525-M565 VanDerWaalsContact CD1-SD 3.52Å; I539-M565 HydrophobicContact CD1-CE 3.44Å; I539-M565 VanDerWaalsContact CD1-CE 3.44Å; V542-M565 HydrophobicContact CG1-CE 3.96Å; M543-M565 HydrophobicContact CE-CB 4.17Å; M543-M565 HydrophobicContact SD-CB 3.79Å; L546-M565 HydrophobicContact CD1-CG 4.35Å; V561-M565 HydrophobicContact CG1-CG 4.44Å; V561-M565 WeakPolarHBondContact O-CB 3.46Å; V561-M565 WeakPolarHBondContact O-CG 3.49Å; V561-M565 PolarHBondContact O-N 3Å; V561-M565 VanDerWaalsContact O-N 3.08Å; I562-M565 PolarHBondContact O-N 3.28Å; Q563-M565 VanDerWaalsContact C-N 3.28Å; Q563-M565 PolarHBondContact O-N 3.49Å; M565-Y569 HydrophobicContact CE-CD2 4.09Å; M565-Y569 HydrophobicContact CE-CE2 3.7Å; M565-Y569 WeakPolarHBondContact O-CD2 3.39Å; M565-Y569 PolarHBondContact O-N 3.24Å; M565-Y569 HydrophobicContact SD-CE2 4.25Å |
| 566 | I | 91.4 | Very high | 89.6 | Confident | 0 Ų | 0 | 42.5 Ų | 42.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -67 | -46 | 175.2 | -71.5 | 165.1 | 0 | 0 | 0 | 110.5 | M543 I562 Q563 K564 E568 Y569 S570 V573 M580 T614 T617 L618 V621 | M543-I566 HydrophobicContact CE-CD1 4.49Å; M543-I566 HydrophobicContact CE-CG1 3.77Å; I562-I566 HydrophobicContact CG2-CD1 3.73Å; I562-I566 HydrophobicContact CG2-CG1 4.27Å; I562-I566 VanDerWaalsContact O-CG1 3.28Å; I562-I566 WeakPolarHBondContact O-CG1 3.32Å; I562-I566 PolarHBondContact O-N 3.2Å; Q563-I566 WeakPolarHBondContact O-CB 3.38Å; Q563-I566 PolarHBondContact O-N 3.16Å; K564-I566 VanDerWaalsContact C-N 3.32Å; K564-I566 PolarHBondContact O-N 3.37Å; I566-E568 VanDerWaalsContact C-N 3.33Å; I566-E568 PolarHBondContact O-N 3.27Å; I566-Y569 CarbonylContact O-C 3.59Å; I566-Y569 PolarHBondContact O-N 2.96Å; I566-S570 PolarHBondContact O-N 2.84Å; I566-V573 HydrophobicContact CG1-CG1 4.23Å; I566-V573 HydrophobicContact CG2-CG1 4.37Å; I566-M580 HydrophobicContact CD1-CE 3.94Å; I566-M580 HydrophobicContact CG1-CE 4.03Å; I566-T614 HydrophobicContact CD1-CG2 3.85Å; I566-T617 HydrophobicContact CB-CG2 4.49Å; I566-T617 HydrophobicContact CG2-CG2 4.22Å; I566-L618 HydrophobicContact CD1-CB 4.26Å; I566-L618 HydrophobicContact CD1-CD1 4.34Å; I566-L618 HydrophobicContact CG2-CD1 4.04Å; I566-V621 HydrophobicContact CG2-CB 4.11Å; I566-V621 HydrophobicContact CG2-CG1 4.37Å; I566-V621 HydrophobicContact CG2-CG2 3.76Å |
| 567 | C | 90.2 | Very high | 90 | Very high | 77 Ų | 77 | 40.6 Ų | 40.6 | 52% | 0.52 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -63 | -38.9 | 179.1 | -60.2 | 0 | 0 | 0 | 0 | 112.3 | Q563 K564 | Q563-C567 PolarHBondContact O-N 2.81Å; Q563-C567 VanDerWaalsContact O-N 3.11Å; Q563-C567 PolarHBondContact O-SG 3.4Å; K564-C567 PolarHBondContact O-N 3.32Å |
| 568 | E | 90.4 | Very high | 90.3 | Very high | 59 Ų | 59 | 39 Ų | 39 | 28% | 0.276 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -76.5 | -21.4 | -176.9 | -66.4 | -73.3 | -157.2 | 0 | 0 | 114.5 | I525 K532 K564 I566 | I525-E568 HydrophobicContact CG2-CB 4.38Å; I525-E568 HydrophobicContact CG2-CG 4.45Å; K532-E568 WeakPolarHBondContact CE-OE2 3.35Å; K532-E568 VanDerWaalsContact NZ-CD 3.3Å; K532-E568 IonicContact NZ-OE1 2.84Å; K532-E568 PolarHBondContact NZ-OE1 3.17Å; K532-E568 IonicContact NZ-OE2 2.96Å; K532-E568 PolarHBondContact NZ-OE2 3.37Å; K564-E568 WeakPolarHBondContact O-CG 3.16Å; K564-E568 PolarHBondContact O-N 3.23Å; K564-E568 VanDerWaalsContact O-N 3.14Å; I566-E568 VanDerWaalsContact C-N 3.33Å; I566-E568 PolarHBondContact O-N 3.27Å |
| 569 | Y | 90.9 | Very high | 90.3 | Very high | 4 Ų | 4 | 43 Ų | 43 | 2% | 0.016 | 23% | 0.228 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -130.4 | 46.1 | -176.9 | -61.5 | -82.3 | 0 | 0 | 0 | 112.2 | I525 K532 I535 A536 I539 M565 I566 E571 E572 V573 | I525-Y569 HydrophobicContact CD1-CE2 4.13Å; I525-Y569 HydrophobicContact CG2-CE2 3.8Å; I525-Y569 WeakPolarHBondContact CG2-OH 3.47Å; K532-Y569 WeakPolarHBondContact CA-OH 3.31Å; K532-Y569 HydrophobicContact CB-CE1 4.4Å; K532-Y569 WeakPolarHBondContact O-CE1 3.48Å; I535-Y569 WeakPolarHBondContact CB-OH 3.3Å; A536-Y569 HydrophobicContact CB-CD1 4.46Å; A536-Y569 HydrophobicContact CB-CE1 4.18Å; I539-Y569 HydrophobicContact CD1-CD1 4.5Å; I539-Y569 HydrophobicContact CD1-CD2 3.47Å; I539-Y569 VanDerWaalsContact CD1-CD2 3.47Å; I539-Y569 HydrophobicContact CD1-CE2 3.86Å; I539-Y569 HydrophobicContact CD1-CG 3.82Å; I539-Y569 HydrophobicContact CG1-CD1 4.4Å; I539-Y569 HydrophobicContact CG1-CD2 4.08Å; I539-Y569 HydrophobicContact CG1-CG 3.89Å; M565-Y569 HydrophobicContact CE-CD2 4.09Å; M565-Y569 HydrophobicContact CE-CE2 3.7Å; M565-Y569 WeakPolarHBondContact O-CD2 3.39Å; M565-Y569 PolarHBondContact O-N 3.24Å; M565-Y569 HydrophobicContact SD-CE2 4.25Å; I566-Y569 CarbonylContact O-C 3.59Å; I566-Y569 PolarHBondContact O-N 2.96Å; Y569-E571 VanDerWaalsContact C-N 3.32Å; Y569-E571 PolarHBondContact O-N 3.18Å; Y569-E572 PolarHBondContact O-N 3.1Å; Y569-V573 VanDerWaalsContact O-CB 3.29Å; Y569-V573 WeakPolarHBondContact O-CB 3.44Å; Y569-V573 WeakPolarHBondContact O-CG2 3.39Å; Y569-V573 PolarHBondContact O-N 2.87Å |
| 570 | S | 88.4 | Confident | 90.4 | Very high | 53 Ų | 53 | 43.1 Ų | 43.1 | 37% | 0.371 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -52.8 | -45.5 | -176.8 | 54.1 | 0 | 0 | 0 | 0 | 113.3 | I566 T574 | I566-S570 PolarHBondContact O-N 2.84Å; S570-T574 PolarHBondContact O-N 3.42Å; S570-T574 VanDerWaalsContact O-N 3.13Å; S570-T574 PolarHBondContact O-OG1 3.16Å |
| 571 | E | 88.6 | Confident | 90.5 | Very high | 162 Ų | 162 | 40 Ų | 40 | 76% | 0.757 | 21% | 0.211 | S | C | * | . | H | α-helix | trans | -64.3 | -42.9 | -179.7 | -65.1 | -167.5 | 176 | 0 | 0 | 112.5 | Y569 P575 | Y569-E571 VanDerWaalsContact C-N 3.32Å; Y569-E571 PolarHBondContact O-N 3.18Å; E571-P575 VanDerWaalsContact O-CD 3.32Å; E571-P575 WeakPolarHBondContact O-CD 3.01Å |
| 572 | E | 89.5 | Confident | 90.5 | Very high | 75 Ų | 75 | 44 Ų | 44 | 35% | 0.35 | 23% | 0.23 | S | C | . | . | H | α-helix | trans | -81.9 | -23.1 | -177.5 | -61.2 | 88.5 | 163.2 | 0 | 0 | 113.9 | I539 Y569 P575 | I539-E572 HydrophobicContact CG2-CB 3.53Å; I539-E572 HydrophobicContact CG2-CG 4.17Å; Y569-E572 PolarHBondContact O-N 3.1Å; E572-P575 WeakPolarHBondContact O-CD 3.47Å |
| 573 | V | 88.9 | Confident | 90.4 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -80 | -34 | 176.8 | 168.7 | 0 | 0 | 0 | 0 | 111.4 | I539 I566 Y569 P575 I576 A577 M580 L618 | I539-V573 HydrophobicContact CG1-CG2 4.5Å; I566-V573 HydrophobicContact CG1-CG1 4.23Å; I566-V573 HydrophobicContact CG2-CG1 4.37Å; Y569-V573 VanDerWaalsContact O-CB 3.29Å; Y569-V573 WeakPolarHBondContact O-CB 3.44Å; Y569-V573 WeakPolarHBondContact O-CG2 3.39Å; Y569-V573 PolarHBondContact O-N 2.87Å; V573-P575 VanDerWaalsContact C-CD 3.47Å; V573-I576 CarbonylContact O-C 3.5Å; V573-I576 WeakPolarHBondContact O-CG1 3.48Å; V573-I576 PolarHBondContact O-N 3.49Å; V573-A577 PolarHBondContact O-N 3.27Å; V573-M580 HydrophobicContact CG1-CE 4.44Å; V573-M580 HydrophobicContact CG1-SD 3.94Å; V573-L618 HydrophobicContact CG1-CD1 3.61Å |
| 574 | T | 88.9 | Confident | 90.4 | Very high | 15 Ų | 15 | 44.3 Ų | 44.3 | 9% | 0.092 | 23% | 0.231 | C | C | . | . | G | 310 helix | trans | -48 | -46.7 | -179.4 | -66.6 | 0 | 0 | 0 | 0 | 113.8 | S570 I576 A577 I628 | S570-T574 PolarHBondContact O-N 3.42Å; S570-T574 VanDerWaalsContact O-N 3.13Å; S570-T574 PolarHBondContact O-OG1 3.16Å; T574-I576 PolarHBondContact O-N 3.16Å; T574-A577 WeakPolarHBondContact O-CB 3.38Å; T574-A577 PolarHBondContact O-N 3.12Å; T574-I628 HydrophobicContact CG2-CD1 3.37Å |
| 575 | P | 89.4 | Confident | 90.4 | Very high | 105 Ų | 105 | 39.3 Ų | 39.3 | 68% | 0.682 | 21% | 0.211 | S | C | * | . | G | 310 helix | trans | -65.7 | -18.9 | 178.5 | -21.6 | 33.7 | 0 | 0 | 0 | 115.6 | E571 E572 V573 | E571-P575 VanDerWaalsContact O-CD 3.32Å; E571-P575 WeakPolarHBondContact O-CD 3.01Å; E572-P575 WeakPolarHBondContact O-CD 3.47Å; V573-P575 VanDerWaalsContact C-CD 3.47Å |
| 576 | I | 90.3 | Very high | 90.3 | Very high | 10 Ų | 10 | 44.6 Ų | 44.6 | 5% | 0.051 | 24% | 0.237 | C | C | . | . | G | 310 helix | trans | -110.7 | -2.7 | -178.8 | 58.8 | 169.7 | 0 | 0 | 0 | 113.2 | R540 M543 V573 T574 V578 E579 M580 | R540-I576 HydrophobicContact CB-CD1 4.3Å; R540-I576 HydrophobicContact CG-CD1 4.32Å; R540-I576 HydrophobicContact CG-CG2 4.1Å; M543-I576 HydrophobicContact CB-CD1 4.26Å; M543-I576 HydrophobicContact CG-CD1 4.38Å; V573-I576 CarbonylContact O-C 3.5Å; V573-I576 WeakPolarHBondContact O-CG1 3.48Å; V573-I576 PolarHBondContact O-N 3.49Å; T574-I576 PolarHBondContact O-N 3.16Å; I576-V578 VanDerWaalsContact C-N 3.26Å; I576-V578 PolarHBondContact O-N 3.07Å; I576-V578 VanDerWaalsContact O-N 3.15Å; I576-E579 WeakPolarHBondContact O-CB 3.32Å; I576-E579 PolarHBondContact O-N 3.34Å; I576-M580 HydrophobicContact CD1-CG 4.38Å; I576-M580 HydrophobicContact CD1-SD 3.7Å; I576-M580 HydrophobicContact CG1-CG 4.35Å; I576-M580 HydrophobicContact CG1-SD 3.81Å; I576-M580 WeakPolarHBondContact O-CG 3.29Å; I576-M580 PolarHBondContact O-N 3.01Å |
| 577 | A | 91.1 | Very high | 90.1 | Very high | 0 Ų | 0 | 44.8 Ų | 44.8 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.3 | -40.2 | -176.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | V573 T574 M580 T581 L618 V622 I628 | V573-A577 PolarHBondContact O-N 3.27Å; T574-A577 WeakPolarHBondContact O-CB 3.38Å; T574-A577 PolarHBondContact O-N 3.12Å; A577-M580 PolarHBondContact O-N 2.88Å; A577-T581 WeakPolarHBondContact O-CB 3.33Å; A577-T581 PolarHBondContact O-N 3.45Å; A577-T581 PolarHBondContact O-OG1 2.95Å; A577-L618 HydrophobicContact CB-CD1 3.85Å; A577-L618 HydrophobicContact CB-CD2 4.13Å; A577-L618 HydrophobicContact CB-CG 4.15Å; A577-V622 HydrophobicContact CB-CG1 3.96Å; A577-I628 HydrophobicContact CB-CG2 4.26Å |
| 578 | V | 92.1 | Very high | 90.1 | Very high | 32 Ų | 32 | 41.1 Ų | 41.1 | 19% | 0.194 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -65.4 | -44 | 177.9 | -177 | 0 | 0 | 0 | 0 | 111.9 | I576 M580 Q582 I628 Q631 L632 I635 | I576-V578 VanDerWaalsContact C-N 3.26Å; I576-V578 PolarHBondContact O-N 3.07Å; I576-V578 VanDerWaalsContact O-N 3.15Å; V578-M580 VanDerWaalsContact C-N 3.33Å; V578-Q582 VanDerWaalsContact O-CG 3.24Å; V578-Q582 WeakPolarHBondContact O-CG 3.32Å; V578-Q582 PolarHBondContact O-N 2.9Å; V578-Q582 VanDerWaalsContact O-N 3.11Å; V578-I628 HydrophobicContact CG2-CG2 4.23Å; V578-Q631 HydrophobicContact CG2-CB 4.05Å; V578-L632 HydrophobicContact CB-CD2 4.3Å; V578-L632 HydrophobicContact CG2-CD2 3.97Å; V578-I635 HydrophobicContact CG1-CD1 4.23Å |
| 579 | E | 90.4 | Very high | 89.9 | Confident | 86 Ų | 86 | 40 Ų | 40 | 40% | 0.402 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -63.5 | -41.8 | 177.3 | -172.2 | -175 | 154.5 | 0 | 0 | 110.3 | R540 Q544 I576 H583 | R540-E579 IonicContact CZ-OE2 2.71Å; R540-E579 IonicContact NH2-OE2 4Å; R540-E579 PolarHBondContact NH2-OE2 2.94Å; Q544-E579 PolarHBondContact NE2-OE1 2.98Å; I576-E579 WeakPolarHBondContact O-CB 3.32Å; I576-E579 PolarHBondContact O-N 3.34Å; E579-H583 PolarHBondContact O-N 3.37Å; E579-H583 VanDerWaalsContact O-N 3.16Å |
| 580 | M | 90.1 | Very high | 89.6 | Confident | 4 Ų | 4 | 43.5 Ų | 43.5 | 2% | 0.02 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -65.9 | -49.1 | 179.1 | -65.3 | -178.5 | 49.8 | 0 | 0 | 112.3 | M543 L547 I562 I566 V573 I576 A577 V578 Q582 H583 L584 L618 | M543-M580 HydrophobicContact CB-SD 4.31Å; M543-M580 HydrophobicContact CE-CE 3.36Å; M543-M580 HydrophobicContact CE-SD 4.25Å; L547-M580 HydrophobicContact CD1-CB 4.02Å; L547-M580 HydrophobicContact CD1-CG 3.79Å; I562-M580 HydrophobicContact CG2-CE 4.32Å; I566-M580 HydrophobicContact CD1-CE 3.94Å; I566-M580 HydrophobicContact CG1-CE 4.03Å; V573-M580 HydrophobicContact CG1-CE 4.44Å; V573-M580 HydrophobicContact CG1-SD 3.94Å; I576-M580 HydrophobicContact CD1-CG 4.38Å; I576-M580 HydrophobicContact CD1-SD 3.7Å; I576-M580 HydrophobicContact CG1-CG 4.35Å; I576-M580 HydrophobicContact CG1-SD 3.81Å; I576-M580 WeakPolarHBondContact O-CG 3.29Å; I576-M580 PolarHBondContact O-N 3.01Å; A577-M580 PolarHBondContact O-N 2.88Å; V578-M580 VanDerWaalsContact C-N 3.33Å; M580-Q582 VanDerWaalsContact C-N 3.28Å; M580-Q582 PolarHBondContact O-N 3.46Å; M580-H583 WeakPolarHBondContact O-CB 3.39Å; M580-H583 PolarHBondContact O-N 3.1Å; M580-L584 WeakPolarHBondContact O-CG 3.38Å; M580-L584 PolarHBondContact O-N 3.49Å; M580-L618 HydrophobicContact CB-CD2 4.22Å |
| 581 | T | 92.9 | Very high | 89.2 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -61.1 | -38.7 | 179.8 | -51.3 | 0 | 0 | 0 | 0 | 111.3 | A577 H583 L584 A585 I615 L618 L632 I635 | A577-T581 WeakPolarHBondContact O-CB 3.33Å; A577-T581 PolarHBondContact O-N 3.45Å; A577-T581 PolarHBondContact O-OG1 2.95Å; T581-H583 VanDerWaalsContact C-N 3.35Å; T581-H583 PolarHBondContact O-N 3.41Å; T581-L584 PolarHBondContact O-N 3.25Å; T581-A585 VanDerWaalsContact O-CB 3.28Å; T581-A585 WeakPolarHBondContact O-CB 3.44Å; T581-A585 PolarHBondContact O-N 2.87Å; T581-I615 HydrophobicContact CG2-CG1 4.44Å; T581-I615 HydrophobicContact CG2-CG2 4.03Å; T581-L618 WeakPolarHBondContact OG1-CD2 3.36Å; T581-L632 HydrophobicContact CG2-CD2 4.12Å; T581-L632 VanDerWaalsContact OG1-CD2 3.26Å; T581-L632 WeakPolarHBondContact OG1-CD2 3.36Å; T581-I635 HydrophobicContact CG2-CB 4.21Å; T581-I635 HydrophobicContact CG2-CD1 4.29Å; T581-I635 HydrophobicContact CG2-CG2 3.88Å |
| 582 | Q | 92.1 | Very high | 88.7 | Confident | 91 Ų | 91 | 34.4 Ų | 34.4 | 43% | 0.425 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 173.8 | -74.2 | 174.4 | 0.2 | 0 | 0 | 112 | V578 M580 M586 I635 | V578-Q582 VanDerWaalsContact O-CG 3.24Å; V578-Q582 WeakPolarHBondContact O-CG 3.32Å; V578-Q582 PolarHBondContact O-N 2.9Å; V578-Q582 VanDerWaalsContact O-N 3.11Å; M580-Q582 VanDerWaalsContact C-N 3.28Å; M580-Q582 PolarHBondContact O-N 3.46Å; Q582-M586 VanDerWaalsContact O-CG 3.26Å; Q582-M586 WeakPolarHBondContact O-CG 3.15Å; Q582-M586 PolarHBondContact O-N 3.47Å; Q582-I635 HydrophobicContact CG-CD1 3.49Å; Q582-I635 VanDerWaalsContact CG-CD1 3.49Å; Q582-I635 HydrophobicContact CG-CG1 4.13Å |
| 583 | H | 89.7 | Confident | 88.1 | Confident | 43 Ų | 43 | 38.1 Ų | 38.1 | 20% | 0.199 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -66 | -45.4 | 178.8 | -166.5 | -81.1 | 0 | 0 | 0 | 111.5 | L547 E579 M580 T581 M586 T587 | L547-H583 HydrophobicContact CD1-CB 4.29Å; L547-H583 PolarHBondContact O-CE1 2.79Å; E579-H583 PolarHBondContact O-N 3.37Å; E579-H583 VanDerWaalsContact O-N 3.16Å; M580-H583 WeakPolarHBondContact O-CB 3.39Å; M580-H583 PolarHBondContact O-N 3.1Å; T581-H583 VanDerWaalsContact C-N 3.35Å; T581-H583 PolarHBondContact O-N 3.41Å; H583-M586 PolarHBondContact O-N 3.5Å; H583-T587 PolarHBondContact O-N 2.95Å; H583-T587 PolarHBondContact O-OG1 2.99Å; H583-T587 VanDerWaalsContact O-OG1 3.12Å |
| 584 | L | 91.1 | Very high | 87 | Confident | 1 Ų | 1 | 40.5 Ų | 40.5 | 1% | 0.005 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -59 | -47.8 | 176.1 | -71 | 171.5 | 0 | 0 | 0 | 111.4 | L547 M580 T581 M586 T587 F588 I611 T614 I615 | L547-L584 HydrophobicContact CD2-CD1 4.47Å; L547-L584 HydrophobicContact CD2-CD2 3.55Å; L547-L584 HydrophobicContact CD2-CG 3.75Å; M580-L584 WeakPolarHBondContact O-CG 3.38Å; M580-L584 PolarHBondContact O-N 3.49Å; T581-L584 PolarHBondContact O-N 3.25Å; L584-M586 VanDerWaalsContact C-N 3.31Å; L584-M586 PolarHBondContact O-N 2.69Å; L584-T587 PolarHBondContact O-N 2.99Å; L584-F588 WeakPolarHBondContact O-CB 3.48Å; L584-F588 PolarHBondContact O-N 2.54Å; L584-I611 HydrophobicContact CB-CG2 3.94Å; L584-I611 HydrophobicContact CD2-CG2 4.15Å; L584-I611 WeakPolarHBondContact O-CG2 3.37Å; L584-T614 HydrophobicContact CD1-CG2 3.71Å; L584-T614 HydrophobicContact CD2-CG2 4.37Å; L584-I615 HydrophobicContact CB-CD1 3.99Å; L584-I615 HydrophobicContact CB-CG1 3.83Å; L584-I615 HydrophobicContact CD1-CG1 3.87Å; L584-I615 HydrophobicContact CG-CG1 4.49Å |
| 585 | A | 91.8 | Very high | 85.3 | Confident | 6 Ų | 6 | 41 Ų | 41 | 5% | 0.05 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -62.2 | -35.6 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | T581 N589 I635 V639 | T581-A585 VanDerWaalsContact O-CB 3.28Å; T581-A585 WeakPolarHBondContact O-CB 3.44Å; T581-A585 PolarHBondContact O-N 2.87Å; A585-N589 WeakPolarHBondContact O-CB 3.34Å; A585-N589 PolarHBondContact O-N 3.45Å; A585-N589 VanDerWaalsContact O-N 3.09Å; A585-N589 PolarHBondContact O-ND2 2.98Å; A585-I635 HydrophobicContact CB-CG2 3.61Å; A585-V639 HydrophobicContact CB-CG2 3.6Å |
| 586 | M | 89.3 | Confident | 83.4 | Confident | 114 Ų | 114 | 39.7 Ų | 39.7 | 56% | 0.562 | 21% | 0.21 | S | C | * | . | H | α-helix | trans | -67.1 | -43.9 | 173.9 | -74.3 | 179.3 | -164 | 0 | 0 | 111.9 | Q582 H583 L584 N589 Q590 | Q582-M586 VanDerWaalsContact O-CG 3.26Å; Q582-M586 WeakPolarHBondContact O-CG 3.15Å; Q582-M586 PolarHBondContact O-N 3.47Å; H583-M586 PolarHBondContact O-N 3.5Å; L584-M586 VanDerWaalsContact C-N 3.31Å; L584-M586 PolarHBondContact O-N 2.69Å; M586-N589 PolarHBondContact O-N 3.47Å; M586-Q590 PolarHBondContact O-N 3.19Å |
| 587 | T | 86.9 | Confident | 81.3 | Confident | 3 Ų | 3 | 47.3 Ų | 47.3 | 2% | 0.018 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62 | -46.7 | 176.3 | -56.2 | 0 | 0 | 0 | 0 | 110.5 | R551 H583 L584 N589 Q590 V591 I611 | R551-T587 HydrophobicContact CB-CG2 4.21Å; R551-T587 HydrophobicContact CG-CG2 4.34Å; H583-T587 PolarHBondContact O-N 2.95Å; H583-T587 PolarHBondContact O-OG1 2.99Å; H583-T587 VanDerWaalsContact O-OG1 3.12Å; L584-T587 PolarHBondContact O-N 2.99Å; T587-N589 VanDerWaalsContact C-N 3.35Å; T587-N589 PolarHBondContact O-N 2.87Å; T587-Q590 WeakPolarHBondContact O-CB 3.47Å; T587-Q590 PolarHBondContact O-N 2.99Å; T587-V591 HydrophobicContact CG2-CG2 4.39Å; T587-V591 WeakPolarHBondContact O-CG2 3.18Å; T587-V591 PolarHBondContact O-N 3.21Å; T587-I611 HydrophobicContact CG2-CD1 3.62Å |
| 588 | F | 89.1 | Confident | 79.5 | Confident | 0 Ų | 0 | 52.8 Ų | 52.8 | 0% | 0 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -54.1 | -49 | 175.6 | 178.3 | -98.4 | 0 | 0 | 0 | 112.5 | L584 Q590 V591 I592 A608 I611 L612 V639 V643 F651 | L584-F588 WeakPolarHBondContact O-CB 3.48Å; L584-F588 PolarHBondContact O-N 2.54Å; F588-Q590 VanDerWaalsContact C-N 3.27Å; F588-Q590 PolarHBondContact O-N 3.21Å; F588-V591 PolarHBondContact O-N 3.44Å; F588-I592 HydrophobicContact CD1-CD1 4.1Å; F588-I592 HydrophobicContact CE1-CD1 3.3Å; F588-I592 HydrophobicContact CE1-CG1 4.14Å; F588-I592 HydrophobicContact CE2-CD1 3.8Å; F588-I592 HydrophobicContact CE2-CG1 4.28Å; F588-I592 HydrophobicContact CZ-CD1 3.14Å; F588-I592 HydrophobicContact CZ-CG1 4.05Å; F588-I592 PolarHBondContact O-N 3.32Å; F588-A608 HydrophobicContact CD2-CB 3.95Å; F588-A608 HydrophobicContact CE2-CB 3.96Å; F588-I611 HydrophobicContact CB-CG2 4Å; F588-L612 HydrophobicContact CD2-CD1 4.45Å; F588-L612 HydrophobicContact CD2-CD2 3.83Å; F588-L612 HydrophobicContact CD2-CG 3.94Å; F588-L612 HydrophobicContact CE1-CD2 4.43Å; F588-L612 HydrophobicContact CE2-CD1 3.59Å; F588-L612 HydrophobicContact CE2-CD2 3.62Å; F588-L612 HydrophobicContact CE2-CG 3.57Å; F588-L612 HydrophobicContact CG-CD2 4.32Å; F588-L612 HydrophobicContact CZ-CD1 3.96Å; F588-L612 HydrophobicContact CZ-CD2 3.9Å; F588-L612 HydrophobicContact CZ-CG 4.21Å; F588-V639 HydrophobicContact CD1-CG1 3.76Å; F588-V639 HydrophobicContact CE1-CG1 3.58Å; F588-V639 HydrophobicContact CG-CG1 4.4Å; F588-V639 HydrophobicContact CZ-CG1 4.11Å; F588-V643 HydrophobicContact CE1-CG2 3.84Å; F588-V643 HydrophobicContact CZ-CG2 3.56Å; F588-F651 HydrophobicContact CZ-CD2 4.39Å |
| 589 | N | 86.9 | Confident | 77.2 | Confident | 37 Ų | 37 | 61 Ų | 61 | 20% | 0.198 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -62.8 | -33.3 | 177.5 | -80.3 | -60 | 0 | 0 | 0 | 113 | A585 M586 T587 Q593 | A585-N589 WeakPolarHBondContact O-CB 3.34Å; A585-N589 PolarHBondContact O-N 3.45Å; A585-N589 VanDerWaalsContact O-N 3.09Å; A585-N589 PolarHBondContact O-ND2 2.98Å; M586-N589 PolarHBondContact O-N 3.47Å; T587-N589 VanDerWaalsContact C-N 3.35Å; T587-N589 PolarHBondContact O-N 2.87Å; N589-Q593 WeakPolarHBondContact O-CB 3.39Å; N589-Q593 WeakPolarHBondContact O-CG 3.41Å; N589-Q593 PolarHBondContact O-N 3.03Å; N589-Q593 VanDerWaalsContact O-N 3.12Å |
| 590 | Q | 83.8 | Confident | 75.5 | Confident | 76 Ų | 76 | 58.8 Ų | 58.8 | 36% | 0.355 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -67.8 | -44.4 | 175.6 | -177 | 179.9 | -28.8 | 0 | 0 | 110.8 | M586 T587 F588 Q593 T594 | M586-Q590 PolarHBondContact O-N 3.19Å; T587-Q590 WeakPolarHBondContact O-CB 3.47Å; T587-Q590 PolarHBondContact O-N 2.99Å; F588-Q590 VanDerWaalsContact C-N 3.27Å; F588-Q590 PolarHBondContact O-N 3.21Å; Q590-Q593 PolarHBondContact O-N 3.25Å; Q590-T594 PolarHBondContact O-N 2.89Å; Q590-T594 PolarHBondContact O-OG1 2.77Å |
| 591 | V | 80.4 | Confident | 74.1 | Confident | 8 Ų | 8 | 59 Ų | 59 | 5% | 0.048 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -63.4 | -46.5 | 179.5 | 177.2 | 0 | 0 | 0 | 0 | 110.6 | T587 F588 Q593 T594 K604 A608 | T587-V591 HydrophobicContact CG2-CG2 4.39Å; T587-V591 WeakPolarHBondContact O-CG2 3.18Å; T587-V591 PolarHBondContact O-N 3.21Å; F588-V591 PolarHBondContact O-N 3.44Å; V591-Q593 PolarHBondContact O-N 3.44Å; V591-T594 PolarHBondContact O-N 3.47Å; V591-T594 PolarHBondContact O-OG1 3.34Å; V591-K604 HydrophobicContact CG1-CB 3.78Å; V591-K604 HydrophobicContact CG1-CG 4.34Å; V591-K604 VanDerWaalsContact CG1-O 3.22Å; V591-K604 WeakPolarHBondContact CG1-O 3.4Å; V591-A608 HydrophobicContact CG1-CB 4.02Å |
| 592 | I | 78.9 | Confident | 72.8 | Confident | 17 Ų | 17 | 65.1 Ų | 65.1 | 9% | 0.087 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 177.5 | -71.8 | -162 | 0 | 0 | 0 | 112.7 | F588 T594 G595 V643 F651 | F588-I592 HydrophobicContact CD1-CD1 4.1Å; F588-I592 HydrophobicContact CE1-CD1 3.3Å; F588-I592 HydrophobicContact CE1-CG1 4.14Å; F588-I592 HydrophobicContact CE2-CD1 3.8Å; F588-I592 HydrophobicContact CE2-CG1 4.28Å; F588-I592 HydrophobicContact CZ-CD1 3.14Å; F588-I592 HydrophobicContact CZ-CG1 4.05Å; F588-I592 PolarHBondContact O-N 3.32Å; I592-T594 VanDerWaalsContact C-N 3.25Å; I592-T594 PolarHBondContact O-N 3.03Å; I592-G595 PolarHBondContact O-N 2.92Å; I592-G595 VanDerWaalsContact O-N 3.07Å; I592-V643 HydrophobicContact CD1-CG2 4.2Å; I592-F651 HydrophobicContact CD1-CD2 3.83Å; I592-F651 HydrophobicContact CD1-CE2 3.65Å; I592-F651 HydrophobicContact CG1-CE2 3.95Å |
| 593 | Q | 75.1 | Confident | 71.6 | Confident | 153 Ų | 153 | 65.6 Ų | 65.6 | 72% | 0.715 | 35% | 0.353 | S | S | * | . | H | α-helix | trans | -66.9 | -23.5 | -177.6 | -79.8 | 174.8 | 28.3 | 0 | 0 | 114.1 | N589 Q590 V591 G595 | N589-Q593 WeakPolarHBondContact O-CB 3.39Å; N589-Q593 WeakPolarHBondContact O-CG 3.41Å; N589-Q593 PolarHBondContact O-N 3.03Å; N589-Q593 VanDerWaalsContact O-N 3.12Å; Q590-Q593 PolarHBondContact O-N 3.25Å; V591-Q593 PolarHBondContact O-N 3.44Å; Q593-G595 PolarHBondContact O-N 3.41Å |
| 594 | T | 65.9 | Low | 70.9 | Confident | 50 Ų | 50 | 65.3 Ų | 65.3 | 31% | 0.307 | 35% | 0.351 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -9.6 | 173.8 | 41.1 | 0 | 0 | 0 | 0 | 114 | Q590 V591 I592 K604 | Q590-T594 PolarHBondContact O-N 2.89Å; Q590-T594 PolarHBondContact O-OG1 2.77Å; V591-T594 PolarHBondContact O-N 3.47Å; V591-T594 PolarHBondContact O-OG1 3.34Å; I592-T594 VanDerWaalsContact C-N 3.25Å; I592-T594 PolarHBondContact O-N 3.03Å; T594-K604 PolarHBondContact OG1-NZ 3.21Å |
| 595 | G | 54.3 | Low | 70.4 | Confident | 25 Ų | 25 | 65.8 Ų | 65.8 | 26% | 0.258 | 36% | 0.356 | S | S | . | . | trans | 72.9 | 144.2 | 170.6 | 0 | 0 | 0 | 0 | 0 | 115 | I592 Q593 D597 | I592-G595 PolarHBondContact O-N 2.92Å; I592-G595 VanDerWaalsContact O-N 3.07Å; Q593-G595 PolarHBondContact O-N 3.41Å; G595-D597 PolarHBondContact O-N 3.03Å | ||
| 596 | P | 48.7 | Very low | 70 | Confident | 78 Ų | 78 | 68.9 Ų | 68.9 | 51% | 0.506 | 37% | 0.374 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -72.6 | -10.2 | 175 | 26.4 | -31.6 | 0 | 0 | 0 | 114.1 | E598 | P596-E598 VanDerWaalsContact C-N 3.31Å; P596-E598 PolarHBondContact O-N 3.38Å |
| 597 | D | 47.3 | Very low | 69.7 | Low | 169 Ų | 169 | 63.7 Ų | 63.7 | 90% | 0.904 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.8 | -1.5 | -180 | -74.8 | -35.8 | 0 | 0 | 0 | 114.3 | G595 | G595-D597 PolarHBondContact O-N 3.03Š|
| 598 | E | 53 | Low | 69.7 | Low | 116 Ų | 116 | 63.5 Ų | 63.5 | 54% | 0.542 | 35% | 0.348 | S | S | . | . | S | Bend | trans | -89.3 | 153.2 | 173.5 | -68 | -168.5 | 160.1 | 0 | 0 | 111.6 | P596 G600 G601 | P596-E598 VanDerWaalsContact C-N 3.31Å; P596-E598 PolarHBondContact O-N 3.38Å; E598-G600 PolarHBondContact O-N 2.89Å; E598-G600 VanDerWaalsContact O-N 3.14Å; E598-G601 PolarHBondContact O-N 2.87Å |
| 599 | E | 43.2 | Very low | 69.7 | Low | 205 Ų | 205 | 66 Ų | 66 | 96% | 0.958 | 36% | 0.36 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.1 | 120.1 | 172.4 | -77.9 | 177.2 | 160.8 | 0 | 0 | 109.6 | ||
| 600 | G | 54.4 | Low | 69.8 | Low | 39 Ų | 39 | 64.5 Ų | 64.5 | 40% | 0.402 | 35% | 0.353 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 94.6 | 16.5 | -174.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E598 D602 D603 K604 | E598-G600 PolarHBondContact O-N 2.89Å; E598-G600 VanDerWaalsContact O-N 3.14Å; G600-D602 VanDerWaalsContact C-N 3.29Å; G600-D602 PolarHBondContact O-N 3.3Å; G600-D603 PolarHBondContact O-N 2.9Å; G600-K604 PolarHBondContact O-N 3.26Å |
| 601 | G | 62.2 | Low | 70.1 | Confident | 7 Ų | 7 | 60.9 Ų | 60.9 | 7% | 0.072 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -55.4 | -37.6 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | E598 K604 A605 | E598-G601 PolarHBondContact O-N 2.87Å; G601-K604 PolarHBondContact O-N 3.06Å; G601-A605 PolarHBondContact O-N 2.89Å |
| 602 | D | 64.6 | Low | 70.7 | Confident | 129 Ų | 129 | 60.5 Ų | 60.5 | 69% | 0.69 | 33% | 0.334 | S | S | * | . | H | α-helix | trans | -66.6 | -44.6 | -178 | -61.7 | -12.6 | 0 | 0 | 0 | 112.1 | G600 K604 A605 V606 | G600-D602 VanDerWaalsContact C-N 3.29Å; G600-D602 PolarHBondContact O-N 3.3Å; D602-K604 VanDerWaalsContact C-N 3.26Å; D602-K604 PolarHBondContact O-N 3.31Å; D602-A605 WeakPolarHBondContact O-CB 3.48Å; D602-A605 PolarHBondContact O-N 3.32Å; D602-A605 VanDerWaalsContact O-N 3.13Å; D602-V606 PolarHBondContact O-N 2.99Å; D602-V606 VanDerWaalsContact O-N 3.1Å |
| 603 | D | 67.3 | Low | 71.3 | Confident | 102 Ų | 102 | 62.8 Ų | 62.8 | 55% | 0.545 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.9 | -34.5 | 178.7 | -61.8 | -20.4 | 0 | 0 | 0 | 112.1 | G600 T607 | G600-D603 PolarHBondContact O-N 2.9Å; D603-T607 PolarHBondContact O-N 2.97Å; D603-T607 VanDerWaalsContact O-N 3.1Å; D603-T607 PolarHBondContact O-OG1 3.3Å |
| 604 | K | 75 | Confident | 72.1 | Confident | 36 Ų | 36 | 55.5 Ų | 55.5 | 16% | 0.157 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -69.6 | -38 | 175.2 | -75.9 | -176.8 | -178.9 | -178.3 | 0 | 111.8 | V591 T594 G600 G601 D602 T607 A608 | V591-K604 HydrophobicContact CG1-CB 3.78Å; V591-K604 HydrophobicContact CG1-CG 4.34Å; V591-K604 VanDerWaalsContact CG1-O 3.22Å; V591-K604 WeakPolarHBondContact CG1-O 3.4Å; T594-K604 PolarHBondContact OG1-NZ 3.21Å; G600-K604 PolarHBondContact O-N 3.26Å; G601-K604 PolarHBondContact O-N 3.06Å; D602-K604 VanDerWaalsContact C-N 3.26Å; D602-K604 PolarHBondContact O-N 3.31Å; K604-T607 PolarHBondContact O-N 2.98Å; K604-A608 WeakPolarHBondContact O-CB 3.49Å; K604-A608 PolarHBondContact O-N 3.42Å |
| 605 | A | 80.6 | Confident | 73.4 | Confident | 12 Ų | 12 | 53.1 Ų | 53.1 | 10% | 0.099 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | G601 D602 T607 A608 M609 F651 | G601-A605 PolarHBondContact O-N 2.89Å; D602-A605 WeakPolarHBondContact O-CB 3.48Å; D602-A605 PolarHBondContact O-N 3.32Å; D602-A605 VanDerWaalsContact O-N 3.13Å; A605-T607 PolarHBondContact O-N 2.92Å; A605-A608 WeakPolarHBondContact O-CB 3.22Å; A605-A608 PolarHBondContact O-N 3.2Å; A605-A608 VanDerWaalsContact O-N 3.09Å; A605-M609 WeakPolarHBondContact O-CG 3.44Å; A605-M609 PolarHBondContact O-N 3.44Å; A605-F651 HydrophobicContact CB-CE1 4.47Å; A605-F651 HydrophobicContact CB-CZ 4.31Å |
| 606 | V | 82.6 | Confident | 75.2 | Confident | 71 Ų | 71 | 53.3 Ų | 53.3 | 43% | 0.43 | 29% | 0.293 | S | S | . | . | H | α-helix | trans | -58 | -47.4 | 175.9 | 176.8 | 0 | 0 | 0 | 0 | 111.2 | D556 D602 A608 M609 G610 | D556-V606 HydrophobicContact CB-CG1 3.98Å; D602-V606 PolarHBondContact O-N 2.99Å; D602-V606 VanDerWaalsContact O-N 3.1Å; V606-A608 VanDerWaalsContact C-N 3.29Å; V606-A608 PolarHBondContact O-N 3.12Å; V606-M609 WeakPolarHBondContact O-CB 3.49Å; V606-M609 PolarHBondContact O-N 3.04Å; V606-G610 PolarHBondContact O-N 3.48Å |
| 607 | T | 83.6 | Confident | 77.2 | Confident | 4 Ų | 4 | 50.9 Ų | 50.9 | 3% | 0.025 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -61.3 | -38.1 | 176.9 | -57.2 | 0 | 0 | 0 | 0 | 112.2 | E554 D603 K604 A605 G610 I611 | E554-T607 HydrophobicContact CB-CG2 4.46Å; E554-T607 PolarHBondContact O-OG1 3.17Å; E554-T607 VanDerWaalsContact O-OG1 3.11Å; D603-T607 PolarHBondContact O-N 2.97Å; D603-T607 VanDerWaalsContact O-N 3.1Å; D603-T607 PolarHBondContact O-OG1 3.3Å; K604-T607 PolarHBondContact O-N 2.98Å; A605-T607 PolarHBondContact O-N 2.92Å; T607-G610 PolarHBondContact O-N 3.42Å; T607-I611 HydrophobicContact CG2-CD1 4.23Å; T607-I611 VanDerWaalsContact O-CG1 3.27Å; T607-I611 WeakPolarHBondContact O-CG1 3.36Å; T607-I611 PolarHBondContact O-N 3.12Å |
| 608 | A | 87.4 | Confident | 79.3 | Confident | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -66.4 | -40.9 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | F588 V591 K604 A605 V606 I611 L612 F651 | F588-A608 HydrophobicContact CD2-CB 3.95Å; F588-A608 HydrophobicContact CE2-CB 3.96Å; V591-A608 HydrophobicContact CG1-CB 4.02Å; K604-A608 WeakPolarHBondContact O-CB 3.49Å; K604-A608 PolarHBondContact O-N 3.42Å; A605-A608 WeakPolarHBondContact O-CB 3.22Å; A605-A608 PolarHBondContact O-N 3.2Å; A605-A608 VanDerWaalsContact O-N 3.09Å; V606-A608 VanDerWaalsContact C-N 3.29Å; V606-A608 PolarHBondContact O-N 3.12Å; A608-I611 WeakPolarHBondContact O-CB 3.18Å; A608-I611 PolarHBondContact O-N 3.42Å; A608-L612 WeakPolarHBondContact O-CG 3.39Å; A608-L612 PolarHBondContact O-N 3.25Å; A608-L612 VanDerWaalsContact O-N 3.08Å; A608-F651 HydrophobicContact CB-CE1 3.68Å; A608-F651 HydrophobicContact CB-CZ 3.62Å |
| 609 | M | 88.5 | Confident | 81.1 | Confident | 52 Ų | 52 | 37.7 Ų | 37.7 | 26% | 0.256 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.2 | -48.7 | 172 | -66.7 | 167.4 | 169.1 | 0 | 0 | 110.9 | A605 V606 I611 L612 N613 E650 F651 E654 | A605-M609 WeakPolarHBondContact O-CG 3.44Å; A605-M609 PolarHBondContact O-N 3.44Å; V606-M609 WeakPolarHBondContact O-CB 3.49Å; V606-M609 PolarHBondContact O-N 3.04Å; M609-I611 VanDerWaalsContact C-N 3.25Å; M609-I611 PolarHBondContact O-N 3.21Å; M609-L612 PolarHBondContact O-N 2.99Å; M609-N613 PolarHBondContact O-N 2.92Å; M609-E650 HydrophobicContact CE-CB 4.33Å; M609-E650 WeakPolarHBondContact CE-O 3.48Å; M609-F651 HydrophobicContact CE-CD1 4.37Å; M609-F651 HydrophobicContact CE-CE1 4.38Å; M609-F651 HydrophobicContact CG-CD1 3.88Å; M609-F651 HydrophobicContact CG-CE1 3.84Å; M609-E654 WeakPolarHBondContact CG-OE1 3.4Å |
| 610 | G | 88.6 | Confident | 83.3 | Confident | 5 Ų | 5 | 31 Ų | 31 | 5% | 0.052 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.8 | -40.4 | 176 | 0 | 0 | 0 | 0 | 0 | 112.8 | D556 Q563 V606 T607 N613 T614 | D556-G610 WeakPolarHBondContact OD1-CA 3.19Å; Q563-G610 PolarHBondContact NE2-O 2.98Å; V606-G610 PolarHBondContact O-N 3.48Å; T607-G610 PolarHBondContact O-N 3.42Å; G610-N613 PolarHBondContact O-N 3.41Å; G610-T614 PolarHBondContact O-N 3.27Å; G610-T614 PolarHBondContact O-OG1 3.25Å |
| 611 | I | 91.1 | Very high | 84.9 | Confident | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -44.9 | 174.6 | -69.8 | 163.5 | 0 | 0 | 0 | 112.1 | T559 L584 T587 F588 T607 A608 M609 T614 I615 | T559-I611 HydrophobicContact CG2-CG1 4.3Å; L584-I611 HydrophobicContact CB-CG2 3.94Å; L584-I611 HydrophobicContact CD2-CG2 4.15Å; L584-I611 WeakPolarHBondContact O-CG2 3.37Å; T587-I611 HydrophobicContact CG2-CD1 3.62Å; F588-I611 HydrophobicContact CB-CG2 4Å; T607-I611 HydrophobicContact CG2-CD1 4.23Å; T607-I611 VanDerWaalsContact O-CG1 3.27Å; T607-I611 WeakPolarHBondContact O-CG1 3.36Å; T607-I611 PolarHBondContact O-N 3.12Å; A608-I611 WeakPolarHBondContact O-CB 3.18Å; A608-I611 PolarHBondContact O-N 3.42Å; M609-I611 VanDerWaalsContact C-N 3.25Å; M609-I611 PolarHBondContact O-N 3.21Å; I611-T614 WeakPolarHBondContact O-CB 3.44Å; I611-T614 PolarHBondContact O-N 2.74Å; I611-I615 HydrophobicContact CG2-CD1 4.34Å; I611-I615 WeakPolarHBondContact O-CG1 3.28Å; I611-I615 PolarHBondContact O-N 2.87Å |
| 612 | L | 92.3 | Very high | 86 | Confident | 0 Ų | 0 | 30.5 Ų | 30.5 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 177.9 | -65.6 | 179 | 0 | 0 | 0 | 111 | F588 A608 M609 T614 I615 D616 V639 F651 E654 I655 L658 | F588-L612 HydrophobicContact CD2-CD1 4.45Å; F588-L612 HydrophobicContact CD2-CD2 3.83Å; F588-L612 HydrophobicContact CD2-CG 3.94Å; F588-L612 HydrophobicContact CE1-CD2 4.43Å; F588-L612 HydrophobicContact CE2-CD1 3.59Å; F588-L612 HydrophobicContact CE2-CD2 3.62Å; F588-L612 HydrophobicContact CE2-CG 3.57Å; F588-L612 HydrophobicContact CG-CD2 4.32Å; F588-L612 HydrophobicContact CZ-CD1 3.96Å; F588-L612 HydrophobicContact CZ-CD2 3.9Å; F588-L612 HydrophobicContact CZ-CG 4.21Å; A608-L612 WeakPolarHBondContact O-CG 3.39Å; A608-L612 PolarHBondContact O-N 3.25Å; A608-L612 VanDerWaalsContact O-N 3.08Å; M609-L612 PolarHBondContact O-N 2.99Å; L612-T614 VanDerWaalsContact C-N 3.3Å; L612-T614 PolarHBondContact O-N 3.44Å; L612-I615 WeakPolarHBondContact O-CA 3.39Å; L612-I615 WeakPolarHBondContact O-CB 3.41Å; L612-I615 PolarHBondContact O-N 2.88Å; L612-D616 PolarHBondContact O-N 3.48Å; L612-V639 HydrophobicContact CD2-CG1 3.38Å; L612-F651 HydrophobicContact CD1-CB 4.14Å; L612-F651 HydrophobicContact CD1-CD1 4.36Å; L612-F651 HydrophobicContact CD1-CG 4.42Å; L612-E654 HydrophobicContact CB-CB 3.82Å; L612-E654 HydrophobicContact CB-CG 4.31Å; L612-E654 HydrophobicContact CD1-CB 3.52Å; L612-E654 HydrophobicContact CD1-CG 4.25Å; L612-E654 HydrophobicContact CG-CB 4.32Å; L612-I655 HydrophobicContact CD1-CG2 4.29Å; L612-L658 HydrophobicContact CB-CD1 4.32Å; L612-L658 HydrophobicContact CD2-CD1 3.85Å |
| 613 | N | 91.7 | Very high | 86.9 | Confident | 65 Ų | 65 | 28.1 Ų | 28.1 | 35% | 0.348 | 16% | 0.157 | S | C | . | . | H | α-helix | trans | -63.1 | -35 | 175.8 | -68.3 | -15.9 | 0 | 0 | 0 | 112.1 | M609 G610 D616 T617 | M609-N613 PolarHBondContact O-N 2.92Å; G610-N613 PolarHBondContact O-N 3.41Å; N613-D616 PolarHBondContact O-N 3.47Å; N613-T617 WeakPolarHBondContact O-CB 3.48Å; N613-T617 PolarHBondContact O-N 2.82Å; N613-T617 PolarHBondContact O-OG1 3.07Å |
| 614 | T | 91.6 | Very high | 87.6 | Confident | 0 Ų | 0 | 29.9 Ų | 29.9 | 0% | 0 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 171.4 | -55.5 | 0 | 0 | 0 | 0 | 112.4 | T559 I562 Q563 I566 L584 G610 I611 L612 D616 L618 | T559-T614 PolarHBondContact O-OG1 2.83Å; I562-T614 HydrophobicContact CB-CG2 4.16Å; I562-T614 HydrophobicContact CG2-CG2 3.47Å; I562-T614 VanDerWaalsContact CG2-CG2 3.47Å; Q563-T614 HydrophobicContact CG-CG2 4.18Å; Q563-T614 WeakPolarHBondContact CG-OG1 3.23Å; Q563-T614 PolarHBondContact NE2-OG1 2.91Å; I566-T614 HydrophobicContact CD1-CG2 3.85Å; L584-T614 HydrophobicContact CD1-CG2 3.71Å; L584-T614 HydrophobicContact CD2-CG2 4.37Å; G610-T614 PolarHBondContact O-N 3.27Å; G610-T614 PolarHBondContact O-OG1 3.25Å; I611-T614 WeakPolarHBondContact O-CB 3.44Å; I611-T614 PolarHBondContact O-N 2.74Å; L612-T614 VanDerWaalsContact C-N 3.3Å; L612-T614 PolarHBondContact O-N 3.44Å; T614-D616 VanDerWaalsContact C-N 3.32Å; T614-L618 WeakPolarHBondContact O-CB 3.38Å; T614-L618 PolarHBondContact O-N 3.49Å; T614-L618 VanDerWaalsContact O-N 3.11Å |
| 615 | I | 93.8 | Very high | 88.1 | Confident | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.005 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 174.4 | -65.8 | 170.5 | 0 | 0 | 0 | 109.8 | T581 L584 I611 L612 L618 L619 L658 | T581-I615 HydrophobicContact CG2-CG1 4.44Å; T581-I615 HydrophobicContact CG2-CG2 4.03Å; L584-I615 HydrophobicContact CB-CD1 3.99Å; L584-I615 HydrophobicContact CB-CG1 3.83Å; L584-I615 HydrophobicContact CD1-CG1 3.87Å; L584-I615 HydrophobicContact CG-CG1 4.49Å; I611-I615 HydrophobicContact CG2-CD1 4.34Å; I611-I615 WeakPolarHBondContact O-CG1 3.28Å; I611-I615 PolarHBondContact O-N 2.87Å; L612-I615 WeakPolarHBondContact O-CA 3.39Å; L612-I615 WeakPolarHBondContact O-CB 3.41Å; L612-I615 PolarHBondContact O-N 2.88Å; I615-L618 WeakPolarHBondContact O-CB 3.3Å; I615-L618 PolarHBondContact O-N 2.71Å; I615-L619 WeakPolarHBondContact O-CG 3.25Å; I615-L619 PolarHBondContact O-N 3.43Å; I615-L658 HydrophobicContact CB-CD2 4.1Å; I615-L658 HydrophobicContact CG2-CD2 3.73Å |
| 616 | D | 92 | Very high | 88.3 | Confident | 29 Ų | 29 | 38.1 Ų | 38.1 | 16% | 0.155 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -64.3 | -47.7 | 179.3 | -165.9 | 52.9 | 0 | 0 | 0 | 111.9 | L612 N613 T614 L618 L619 S620 L658 S661 | L612-D616 PolarHBondContact O-N 3.48Å; N613-D616 PolarHBondContact O-N 3.47Å; T614-D616 VanDerWaalsContact C-N 3.32Å; D616-L618 PolarHBondContact O-N 3.18Å; D616-L619 WeakPolarHBondContact O-CA 3.45Å; D616-L619 WeakPolarHBondContact O-CB 3.44Å; D616-L619 PolarHBondContact O-N 2.97Å; D616-S620 PolarHBondContact O-N 3.33Å; D616-S620 PolarHBondContact O-OG 2.66Å; D616-L658 HydrophobicContact CB-CD2 3.62Å; D616-L658 HydrophobicContact CB-CG 4.47Å; D616-S661 VanDerWaalsContact OD1-CB 3.3Å; D616-S661 WeakPolarHBondContact OD1-CB 3.49Å; D616-S661 PolarHBondContact OD1-OG 3.33Å |
| 617 | T | 91.6 | Very high | 88.4 | Confident | 27 Ų | 27 | 42.4 Ų | 42.4 | 17% | 0.166 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -54 | -40.6 | 173.2 | -56.8 | 0 | 0 | 0 | 0 | 111.6 | Q563 I566 N613 S620 V621 | Q563-T617 HydrophobicContact CB-CG2 4.33Å; I566-T617 HydrophobicContact CB-CG2 4.49Å; I566-T617 HydrophobicContact CG2-CG2 4.22Å; N613-T617 WeakPolarHBondContact O-CB 3.48Å; N613-T617 PolarHBondContact O-N 2.82Å; N613-T617 PolarHBondContact O-OG1 3.07Å; T617-S620 PolarHBondContact O-N 3Å; T617-V621 WeakPolarHBondContact O-CG2 3.27Å; T617-V621 PolarHBondContact O-N 2.67Å; T617-V621 VanDerWaalsContact O-N 3.16Å |
| 618 | L | 91.1 | Very high | 88.6 | Confident | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -68.2 | -36.5 | 177.5 | -174.1 | 59.5 | 0 | 0 | 0 | 112.4 | I566 V573 A577 M580 T581 T614 I615 D616 V621 V622 | I566-L618 HydrophobicContact CD1-CB 4.26Å; I566-L618 HydrophobicContact CD1-CD1 4.34Å; I566-L618 HydrophobicContact CG2-CD1 4.04Å; V573-L618 HydrophobicContact CG1-CD1 3.61Å; A577-L618 HydrophobicContact CB-CD1 3.85Å; A577-L618 HydrophobicContact CB-CD2 4.13Å; A577-L618 HydrophobicContact CB-CG 4.15Å; M580-L618 HydrophobicContact CB-CD2 4.22Å; T581-L618 WeakPolarHBondContact OG1-CD2 3.36Å; T614-L618 WeakPolarHBondContact O-CB 3.38Å; T614-L618 PolarHBondContact O-N 3.49Å; T614-L618 VanDerWaalsContact O-N 3.11Å; I615-L618 WeakPolarHBondContact O-CB 3.3Å; I615-L618 PolarHBondContact O-N 2.71Å; D616-L618 PolarHBondContact O-N 3.18Å; L618-V621 PolarHBondContact O-N 2.91Å; L618-V622 WeakPolarHBondContact O-CG2 3.44Å; L618-V622 PolarHBondContact O-N 3.11Å |
| 619 | L | 90.5 | Very high | 88.6 | Confident | 8 Ų | 8 | 45 Ų | 45 | 4% | 0.042 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -62.8 | -45.6 | 174.7 | -71.6 | 173.5 | 0 | 0 | 0 | 111.2 | I615 D616 V621 V622 E623 L632 L658 L662 | I615-L619 WeakPolarHBondContact O-CG 3.25Å; I615-L619 PolarHBondContact O-N 3.43Å; D616-L619 WeakPolarHBondContact O-CA 3.45Å; D616-L619 WeakPolarHBondContact O-CB 3.44Å; D616-L619 PolarHBondContact O-N 2.97Å; L619-V621 VanDerWaalsContact C-N 3.31Å; L619-V621 PolarHBondContact O-N 2.78Å; L619-V622 CarbonylContact O-C 3.55Å; L619-V622 PolarHBondContact O-N 3.46Å; L619-E623 PolarHBondContact O-N 3.5Å; L619-E623 VanDerWaalsContact O-N 3.08Å; L619-L632 HydrophobicContact CD2-CB 3.86Å; L619-L632 HydrophobicContact CD2-CD1 3.82Å; L619-L658 HydrophobicContact CD1-CD2 3.74Å; L619-L662 HydrophobicContact CD1-CD2 4.04Å; L619-L662 HydrophobicContact CD1-CG 3.97Å; L619-L662 HydrophobicContact CD2-CD2 3.68Å |
| 620 | S | 88.6 | Confident | 88.5 | Confident | 63 Ų | 63 | 49.3 Ų | 49.3 | 44% | 0.441 | 25% | 0.251 | S | S | . | . | H | α-helix | trans | -60.3 | -40.3 | 177.6 | -52.3 | 0 | 0 | 0 | 0 | 111.8 | D616 T617 V622 E623 | D616-S620 PolarHBondContact O-N 3.33Å; D616-S620 PolarHBondContact O-OG 2.66Å; T617-S620 PolarHBondContact O-N 3Å; S620-V622 PolarHBondContact O-N 2.95Å; S620-E623 WeakPolarHBondContact O-CB 3.38Å; S620-E623 PolarHBondContact O-N 2.94Å |
| 621 | V | 87.8 | Confident | 88.5 | Confident | 36 Ų | 36 | 54.5 Ų | 54.5 | 22% | 0.218 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -68.4 | -30.9 | 177.4 | 168 | 0 | 0 | 0 | 0 | 113.3 | I566 T617 L618 L619 | I566-V621 HydrophobicContact CG2-CB 4.11Å; I566-V621 HydrophobicContact CG2-CG1 4.37Å; I566-V621 HydrophobicContact CG2-CG2 3.76Å; T617-V621 WeakPolarHBondContact O-CG2 3.27Å; T617-V621 PolarHBondContact O-N 2.67Å; T617-V621 VanDerWaalsContact O-N 3.16Å; L618-V621 PolarHBondContact O-N 2.91Å; L619-V621 VanDerWaalsContact C-N 3.31Å; L619-V621 PolarHBondContact O-N 2.78Å |
| 622 | V | 87 | Confident | 88.5 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 27% | 0.274 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.1 | 11.6 | 179.3 | -54.6 | 0 | 0 | 0 | 0 | 113.6 | A577 L618 L619 S620 D624 H625 I628 T629 L632 | A577-V622 HydrophobicContact CB-CG1 3.96Å; L618-V622 WeakPolarHBondContact O-CG2 3.44Å; L618-V622 PolarHBondContact O-N 3.11Å; L619-V622 CarbonylContact O-C 3.55Å; L619-V622 PolarHBondContact O-N 3.46Å; S620-V622 PolarHBondContact O-N 2.95Å; V622-D624 VanDerWaalsContact C-N 3.25Å; V622-D624 PolarHBondContact O-N 3.38Å; V622-H625 WeakPolarHBondContact O-CA 3.48Å; V622-H625 WeakPolarHBondContact O-CB 3.28Å; V622-H625 PolarHBondContact O-N 3.16Å; V622-I628 HydrophobicContact CB-CG2 4.26Å; V622-I628 HydrophobicContact CG1-CG2 4.3Å; V622-I628 HydrophobicContact CG2-CG2 4.25Å; V622-T629 PolarHBondContact O-OG1 3.07Å; V622-L632 HydrophobicContact CG2-CD1 3.64Å |
| 623 | E | 82.5 | Confident | 88.5 | Confident | 79 Ų | 79 | 55.3 Ų | 55.3 | 37% | 0.369 | 28% | 0.278 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.3 | -39.3 | -173.3 | 174.2 | 168.1 | -163.2 | 0 | 0 | 112.3 | L619 S620 H625 Q665 | L619-E623 PolarHBondContact O-N 3.5Å; L619-E623 VanDerWaalsContact O-N 3.08Å; S620-E623 WeakPolarHBondContact O-CB 3.38Å; S620-E623 PolarHBondContact O-N 2.94Å; E623-H625 PolarHBondContact O-N 3.05Å; E623-Q665 HydrophobicContact CG-CG 4.14Å; E623-Q665 PolarHBondContact O-NE2 2.64Å; E623-Q665 PolarHBondContact O-OE1 2.63Å |
| 624 | D | 82.8 | Confident | 88.4 | Confident | 140 Ų | 140 | 53.5 Ų | 53.5 | 75% | 0.749 | 28% | 0.275 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.5 | -11.1 | 177.6 | -73.4 | -35 | 0 | 0 | 0 | 114.6 | V622 K626 | V622-D624 VanDerWaalsContact C-N 3.25Å; V622-D624 PolarHBondContact O-N 3.38Å; D624-K626 PolarHBondContact O-N 3.47Å |
| 625 | H | 85.5 | Confident | 88.5 | Confident | 89 Ų | 89 | 54.3 Ų | 54.3 | 41% | 0.412 | 28% | 0.279 | S | S | . | . | trans | -103.5 | 72 | -173.6 | -67.5 | -71.6 | 0 | 0 | 0 | 113.1 | V622 E623 E627 I628 T629 | V622-H625 WeakPolarHBondContact O-CA 3.48Å; V622-H625 WeakPolarHBondContact O-CB 3.28Å; V622-H625 PolarHBondContact O-N 3.16Å; E623-H625 PolarHBondContact O-N 3.05Å; H625-E627 VanDerWaalsContact C-N 3.28Å; H625-E627 PolarHBondContact O-N 3.1Å; H625-I628 HydrophobicContact CB-CB 4.16Å; H625-I628 HydrophobicContact CB-CD1 4.06Å; H625-I628 HydrophobicContact CB-CG1 4.32Å; H625-I628 WeakPolarHBondContact O-CA 3.49Å; H625-I628 WeakPolarHBondContact O-CB 3.48Å; H625-I628 PolarHBondContact O-N 3.17Å; H625-T629 PolarHBondContact O-N 3.39Å; H625-T629 PolarHBondContact O-OG1 3.06Å; H625-T629 VanDerWaalsContact O-OG1 3.12Å | ||
| 626 | K | 83.4 | Confident | 88.5 | Confident | 132 Ų | 132 | 54.3 Ų | 54.3 | 57% | 0.574 | 28% | 0.279 | S | S | * | . | H | α-helix | trans | -44.2 | -41.1 | -176.4 | -60.6 | -168.5 | 177.2 | -163.4 | 0 | 116.5 | D624 I628 Q630 | D624-K626 PolarHBondContact O-N 3.47Å; K626-I628 VanDerWaalsContact C-N 3.31Å; K626-I628 PolarHBondContact O-N 2.93Å; K626-Q630 WeakPolarHBondContact O-CB 3.16Å; K626-Q630 PolarHBondContact O-N 3.23Å; K626-Q630 VanDerWaalsContact O-N 3.1Å |
| 627 | E | 85.9 | Confident | 88.5 | Confident | 160 Ų | 160 | 54.6 Ų | 54.6 | 75% | 0.748 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -68 | -30.7 | 179.6 | -67.9 | -173.8 | 178.3 | 0 | 0 | 113.2 | H625 Q631 | H625-E627 VanDerWaalsContact C-N 3.28Å; H625-E627 PolarHBondContact O-N 3.1Å; E627-Q631 WeakPolarHBondContact O-CG 3.3Å; E627-Q631 PolarHBondContact O-NE2 3.24Å |
| 628 | I | 87.3 | Confident | 88.4 | Confident | 30 Ų | 30 | 59.5 Ų | 59.5 | 15% | 0.154 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -81.7 | -47 | 178.1 | -63.1 | 176.2 | 0 | 0 | 0 | 108.8 | T574 A577 V578 V622 H625 K626 Q630 Q631 L632 | T574-I628 HydrophobicContact CG2-CD1 3.37Å; A577-I628 HydrophobicContact CB-CG2 4.26Å; V578-I628 HydrophobicContact CG2-CG2 4.23Å; V622-I628 HydrophobicContact CB-CG2 4.26Å; V622-I628 HydrophobicContact CG1-CG2 4.3Å; V622-I628 HydrophobicContact CG2-CG2 4.25Å; H625-I628 HydrophobicContact CB-CB 4.16Å; H625-I628 HydrophobicContact CB-CD1 4.06Å; H625-I628 HydrophobicContact CB-CG1 4.32Å; H625-I628 WeakPolarHBondContact O-CA 3.49Å; H625-I628 WeakPolarHBondContact O-CB 3.48Å; H625-I628 PolarHBondContact O-N 3.17Å; K626-I628 VanDerWaalsContact C-N 3.31Å; K626-I628 PolarHBondContact O-N 2.93Å; I628-Q630 PolarHBondContact O-N 2.83Å; I628-Q631 WeakPolarHBondContact O-CA 3.32Å; I628-Q631 WeakPolarHBondContact O-CB 3.47Å; I628-Q631 PolarHBondContact O-N 3.36Å; I628-L632 HydrophobicContact CG2-CD1 4.28Å; I628-L632 HydrophobicContact CG2-CG 4.23Å; I628-L632 WeakPolarHBondContact O-CG 3.21Å; I628-L632 PolarHBondContact O-N 3.01Å |
| 629 | T | 86.6 | Confident | 88.5 | Confident | 29 Ų | 29 | 59.5 Ų | 59.5 | 18% | 0.178 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -52 | -43.5 | 175.7 | -41.7 | 0 | 0 | 0 | 0 | 111.4 | V622 H625 Q631 L632 E633 L662 | V622-T629 PolarHBondContact O-OG1 3.07Å; H625-T629 PolarHBondContact O-N 3.39Å; H625-T629 PolarHBondContact O-OG1 3.06Å; H625-T629 VanDerWaalsContact O-OG1 3.12Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 2.87Å; T629-L632 PolarHBondContact O-N 3.27Å; T629-E633 WeakPolarHBondContact O-CB 3.39Å; T629-E633 PolarHBondContact O-N 3.25Å; T629-L662 HydrophobicContact CG2-CD2 4.47Å |
| 630 | Q | 86.5 | Confident | 88.5 | Confident | 143 Ų | 143 | 59.2 Ų | 59.2 | 67% | 0.668 | 30% | 0.3 | S | S | * | . | H | α-helix | trans | -63.8 | -31.8 | 176.9 | -172.5 | 173.1 | 32.6 | 0 | 0 | 113.8 | K626 I628 | K626-Q630 WeakPolarHBondContact O-CB 3.16Å; K626-Q630 PolarHBondContact O-N 3.23Å; K626-Q630 VanDerWaalsContact O-N 3.1Å; I628-Q630 PolarHBondContact O-N 2.83Å |
| 631 | Q | 89.7 | Confident | 88.6 | Confident | 113 Ų | 113 | 56.9 Ų | 56.9 | 53% | 0.528 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -75.7 | -36.6 | 175.1 | -70.7 | 174.4 | 54.9 | 0 | 0 | 111.7 | V578 E627 I628 T629 | V578-Q631 HydrophobicContact CG2-CB 4.05Å; E627-Q631 WeakPolarHBondContact O-CG 3.3Å; E627-Q631 PolarHBondContact O-NE2 3.24Å; I628-Q631 WeakPolarHBondContact O-CA 3.32Å; I628-Q631 WeakPolarHBondContact O-CB 3.47Å; I628-Q631 PolarHBondContact O-N 3.36Å; T629-Q631 VanDerWaalsContact C-N 3.31Å; T629-Q631 PolarHBondContact O-N 2.87Å |
| 632 | L | 91.3 | Very high | 88.6 | Confident | 0 Ų | 0 | 56.6 Ų | 56.6 | 0% | 0 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -68.9 | -39.2 | 176.5 | -61.9 | -168.4 | 0 | 0 | 0 | 111.9 | V578 T581 L619 V622 I628 T629 G634 I635 C636 | V578-L632 HydrophobicContact CB-CD2 4.3Å; V578-L632 HydrophobicContact CG2-CD2 3.97Å; T581-L632 HydrophobicContact CG2-CD2 4.12Å; T581-L632 VanDerWaalsContact OG1-CD2 3.26Å; T581-L632 WeakPolarHBondContact OG1-CD2 3.36Å; L619-L632 HydrophobicContact CD2-CB 3.86Å; L619-L632 HydrophobicContact CD2-CD1 3.82Å; V622-L632 HydrophobicContact CG2-CD1 3.64Å; I628-L632 HydrophobicContact CG2-CD1 4.28Å; I628-L632 HydrophobicContact CG2-CG 4.23Å; I628-L632 WeakPolarHBondContact O-CG 3.21Å; I628-L632 PolarHBondContact O-N 3.01Å; T629-L632 PolarHBondContact O-N 3.27Å; L632-G634 PolarHBondContact O-N 3.3Å; L632-I635 HydrophobicContact CD2-CD1 4.26Å; L632-I635 WeakPolarHBondContact O-CA 3.39Å; L632-I635 WeakPolarHBondContact O-CB 3.35Å; L632-I635 PolarHBondContact O-N 3.36Å; L632-C636 PolarHBondContact O-N 3.24Å; L632-C636 PolarHBondContact O-SG 3.32Å; L632-C636 VanDerWaalsContact O-SG 3.39Å |
| 633 | E | 91.4 | Very high | 88.7 | Confident | 17 Ų | 17 | 56.6 Ų | 56.6 | 8% | 0.079 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -49 | -46.1 | 176.7 | -172.1 | -169.2 | 126.4 | 0 | 0 | 111.7 | T629 I635 C636 L637 L662 S668 M671 | T629-E633 WeakPolarHBondContact O-CB 3.39Å; T629-E633 PolarHBondContact O-N 3.25Å; E633-I635 VanDerWaalsContact C-N 3.26Å; E633-I635 PolarHBondContact O-N 3.24Å; E633-C636 PolarHBondContact O-N 2.85Å; E633-L637 HydrophobicContact CG-CD1 4.06Å; E633-L637 HydrophobicContact CG-CG 4.45Å; E633-L637 WeakPolarHBondContact O-CB 3.46Å; E633-L637 VanDerWaalsContact O-CG 3.31Å; E633-L637 WeakPolarHBondContact O-CG 3.31Å; E633-L637 PolarHBondContact O-N 2.82Å; E633-L662 HydrophobicContact CB-CD2 4.1Å; E633-L662 HydrophobicContact CG-CD2 4.41Å; E633-S668 VanDerWaalsContact CD-OG 3.29Å; E633-S668 VanDerWaalsContact OE1-CB 3.26Å; E633-S668 WeakPolarHBondContact OE1-CB 3.44Å; E633-S668 PolarHBondContact OE1-OG 2.85Å; E633-S668 WeakPolarHBondContact OE2-CB 3.35Å; E633-S668 PolarHBondContact OE2-OG 2.9Å; E633-M671 HydrophobicContact CG-CG 4.3Å; E633-M671 HydrophobicContact CG-SD 4.02Å |
| 634 | G | 90.7 | Very high | 88.9 | Confident | 28 Ų | 28 | 53.6 Ų | 53.6 | 29% | 0.289 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -65.1 | -26.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.4 | L632 Q638 | L632-G634 PolarHBondContact O-N 3.3Å; G634-Q638 WeakPolarHBondContact O-CG 3.29Å |
| 635 | I | 93 | Very high | 89 | Confident | 17 Ų | 17 | 54.4 Ų | 54.4 | 9% | 0.087 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -82.4 | -48.3 | 176.3 | -58.4 | 159.3 | 0 | 0 | 0 | 109.4 | V578 T581 Q582 A585 L632 E633 L637 Q638 V639 | V578-I635 HydrophobicContact CG1-CD1 4.23Å; T581-I635 HydrophobicContact CG2-CB 4.21Å; T581-I635 HydrophobicContact CG2-CD1 4.29Å; T581-I635 HydrophobicContact CG2-CG2 3.88Å; Q582-I635 HydrophobicContact CG-CD1 3.49Å; Q582-I635 VanDerWaalsContact CG-CD1 3.49Å; Q582-I635 HydrophobicContact CG-CG1 4.13Å; A585-I635 HydrophobicContact CB-CG2 3.61Å; L632-I635 HydrophobicContact CD2-CD1 4.26Å; L632-I635 WeakPolarHBondContact O-CA 3.39Å; L632-I635 WeakPolarHBondContact O-CB 3.35Å; L632-I635 PolarHBondContact O-N 3.36Å; E633-I635 VanDerWaalsContact C-N 3.26Å; E633-I635 PolarHBondContact O-N 3.24Å; I635-L637 VanDerWaalsContact C-N 3.31Å; I635-L637 PolarHBondContact O-N 3.02Å; I635-Q638 WeakPolarHBondContact O-CB 3.29Å; I635-Q638 PolarHBondContact O-N 2.69Å; I635-V639 PolarHBondContact O-N 2.87Å |
| 636 | C | 93.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 54.9 Ų | 54.9 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -60.7 | -39.8 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 111.7 | L632 E633 Q638 V639 I640 L662 | L632-C636 PolarHBondContact O-N 3.24Å; L632-C636 PolarHBondContact O-SG 3.32Å; L632-C636 VanDerWaalsContact O-SG 3.39Å; E633-C636 PolarHBondContact O-N 2.85Å; C636-Q638 PolarHBondContact O-N 3.16Å; C636-V639 WeakPolarHBondContact O-CA 3.33Å; C636-V639 WeakPolarHBondContact O-CB 3.41Å; C636-V639 PolarHBondContact O-N 3.25Å; C636-I640 VanDerWaalsContact O-CG1 3.27Å; C636-I640 WeakPolarHBondContact O-CG1 3.33Å; C636-I640 PolarHBondContact O-N 2.97Å; C636-L662 HydrophobicContact CB-CD1 3.64Å |
| 637 | L | 91.4 | Very high | 88.8 | Confident | 36 Ų | 36 | 52.3 Ų | 52.3 | 19% | 0.188 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -60.7 | -29.5 | 174.5 | -78.1 | 173.8 | 0 | 0 | 0 | 113.5 | E633 I635 G641 Q670 M671 | E633-L637 HydrophobicContact CG-CD1 4.06Å; E633-L637 HydrophobicContact CG-CG 4.45Å; E633-L637 WeakPolarHBondContact O-CB 3.46Å; E633-L637 VanDerWaalsContact O-CG 3.31Å; E633-L637 WeakPolarHBondContact O-CG 3.31Å; E633-L637 PolarHBondContact O-N 2.82Å; I635-L637 VanDerWaalsContact C-N 3.31Å; I635-L637 PolarHBondContact O-N 3.02Å; L637-G641 PolarHBondContact O-N 3.25Å; L637-Q670 HydrophobicContact CD1-CB 3.64Å; L637-M671 HydrophobicContact CD1-SD 4.27Å; L637-M671 HydrophobicContact CD2-SD 3.72Å; L637-M671 HydrophobicContact CG-SD 4.11Å |
| 638 | Q | 90.3 | Very high | 88.7 | Confident | 130 Ų | 130 | 46 Ų | 46 | 61% | 0.607 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -70.2 | -40.1 | 173.6 | -67.2 | 175.5 | 0.7 | 0 | 0 | 111.4 | G634 I635 C636 T642 | G634-Q638 WeakPolarHBondContact O-CG 3.29Å; I635-Q638 WeakPolarHBondContact O-CB 3.29Å; I635-Q638 PolarHBondContact O-N 2.69Å; C636-Q638 PolarHBondContact O-N 3.16Å; Q638-T642 WeakPolarHBondContact O-CB 3.33Å; Q638-T642 PolarHBondContact O-N 3.04Å; Q638-T642 PolarHBondContact O-OG1 3.21Å |
| 639 | V | 91.8 | Very high | 88.5 | Confident | 0 Ų | 0 | 47.7 Ų | 47.7 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64.8 | -55.1 | 176.8 | 174 | 0 | 0 | 0 | 0 | 110.1 | A585 F588 L612 I635 C636 G641 T642 V643 | A585-V639 HydrophobicContact CB-CG2 3.6Å; F588-V639 HydrophobicContact CD1-CG1 3.76Å; F588-V639 HydrophobicContact CE1-CG1 3.58Å; F588-V639 HydrophobicContact CG-CG1 4.4Å; F588-V639 HydrophobicContact CZ-CG1 4.11Å; L612-V639 HydrophobicContact CD2-CG1 3.38Å; I635-V639 PolarHBondContact O-N 2.87Å; C636-V639 WeakPolarHBondContact O-CA 3.33Å; C636-V639 WeakPolarHBondContact O-CB 3.41Å; C636-V639 PolarHBondContact O-N 3.25Å; V639-G641 VanDerWaalsContact C-N 3.32Å; V639-G641 PolarHBondContact O-N 3.36Å; V639-T642 WeakPolarHBondContact O-CB 3.41Å; V639-T642 PolarHBondContact O-N 2.75Å; V639-V643 PolarHBondContact O-N 3.36Å |
| 640 | I | 92.5 | Very high | 88.3 | Confident | 2 Ų | 2 | 50.8 Ų | 50.8 | 1% | 0.01 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -54.4 | -48.9 | 176.5 | -63 | 165.6 | 0 | 0 | 0 | 110.2 | C636 T642 V643 L644 I655 L658 A659 L662 L674 | C636-I640 VanDerWaalsContact O-CG1 3.27Å; C636-I640 WeakPolarHBondContact O-CG1 3.33Å; C636-I640 PolarHBondContact O-N 2.97Å; I640-T642 VanDerWaalsContact C-N 3.28Å; I640-T642 PolarHBondContact O-N 3.18Å; I640-V643 PolarHBondContact O-N 3Å; I640-L644 HydrophobicContact CG2-CD1 3.81Å; I640-L644 HydrophobicContact CG2-CG 4.31Å; I640-L644 WeakPolarHBondContact O-CG 3.48Å; I640-L644 PolarHBondContact O-N 3.45Å; I640-I655 HydrophobicContact CB-CB 4.48Å; I640-I655 HydrophobicContact CG1-CB 4.06Å; I640-I655 HydrophobicContact CG1-CG2 4.42Å; I640-I655 HydrophobicContact CG2-CB 4.37Å; I640-I655 HydrophobicContact CG2-CD1 4.4Å; I640-L658 HydrophobicContact CD1-CB 4.4Å; I640-A659 HydrophobicContact CD1-CB 4.18Å; I640-L662 HydrophobicContact CD1-CD1 4.47Å; I640-L674 HydrophobicContact CG2-CD1 3.72Å; I640-L674 HydrophobicContact CG2-CD2 4.28Å |
| 641 | G | 89.1 | Confident | 88.5 | Confident | 14 Ų | 14 | 44.4 Ų | 44.4 | 14% | 0.144 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -62.6 | -32.4 | 180 | 0 | 0 | 0 | 0 | 0 | 113.6 | L637 V639 Q645 | L637-G641 PolarHBondContact O-N 3.25Å; V639-G641 VanDerWaalsContact C-N 3.32Å; V639-G641 PolarHBondContact O-N 3.36Å; G641-Q645 VanDerWaalsContact O-CB 3.23Å; G641-Q645 WeakPolarHBondContact O-CB 3.5Å; G641-Q645 WeakPolarHBondContact O-CG 3.29Å; G641-Q645 PolarHBondContact O-N 3.34Å |
| 642 | T | 88.1 | Confident | 88.5 | Confident | 29 Ų | 29 | 39.2 Ų | 39.2 | 18% | 0.178 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -69 | -45.5 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 111.1 | Q638 V639 I640 Q645 Q646 | Q638-T642 WeakPolarHBondContact O-CB 3.33Å; Q638-T642 PolarHBondContact O-N 3.04Å; Q638-T642 PolarHBondContact O-OG1 3.21Å; V639-T642 WeakPolarHBondContact O-CB 3.41Å; V639-T642 PolarHBondContact O-N 2.75Å; I640-T642 VanDerWaalsContact C-N 3.28Å; I640-T642 PolarHBondContact O-N 3.18Å; T642-Q645 PolarHBondContact O-N 2.96Å; T642-Q646 WeakPolarHBondContact O-CB 3.43Å; T642-Q646 WeakPolarHBondContact O-CG 3.41Å; T642-Q646 PolarHBondContact O-N 3.28Å |
| 643 | V | 88.9 | Confident | 88.5 | Confident | 0 Ų | 0 | 44.7 Ų | 44.7 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -63.2 | -49.3 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 111 | F588 I592 V639 I640 Q645 Q646 H647 V648 F651 Y652 I655 | F588-V643 HydrophobicContact CE1-CG2 3.84Å; F588-V643 HydrophobicContact CZ-CG2 3.56Å; I592-V643 HydrophobicContact CD1-CG2 4.2Å; V639-V643 PolarHBondContact O-N 3.36Å; I640-V643 PolarHBondContact O-N 3Å; V643-Q645 VanDerWaalsContact C-N 3.33Å; V643-Q645 PolarHBondContact O-N 2.95Å; V643-Q646 PolarHBondContact O-N 3.24Å; V643-H647 PolarHBondContact O-N 2.96Å; V643-V648 HydrophobicContact CG1-CB 4.37Å; V643-V648 WeakPolarHBondContact CG1-O 3.44Å; V643-V648 PolarHBondContact O-N 3.32Å; V643-F651 HydrophobicContact CG1-CB 3.85Å; V643-F651 HydrophobicContact CG2-CB 4.22Å; V643-F651 HydrophobicContact CG2-CD2 4.44Å; V643-Y652 HydrophobicContact CG1-CD1 3.98Å; V643-Y652 HydrophobicContact CG1-CE1 4.11Å; V643-I655 HydrophobicContact CB-CD1 4.04Å; V643-I655 HydrophobicContact CB-CG2 4.03Å; V643-I655 HydrophobicContact CG1-CD1 3.72Å; V643-I655 HydrophobicContact CG1-CG2 4.19Å; V643-I655 HydrophobicContact CG2-CG2 3.86Å |
| 644 | L | 87.4 | Confident | 88.5 | Confident | 16 Ų | 16 | 45 Ų | 45 | 8% | 0.084 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -64.1 | -35.6 | -179.9 | -64.9 | 178.6 | 0 | 0 | 0 | 112.7 | I640 Y652 I655 L674 L677 V681 | I640-L644 HydrophobicContact CG2-CD1 3.81Å; I640-L644 HydrophobicContact CG2-CG 4.31Å; I640-L644 WeakPolarHBondContact O-CG 3.48Å; I640-L644 PolarHBondContact O-N 3.45Å; L644-Y652 HydrophobicContact CD2-CE1 4.25Å; L644-I655 HydrophobicContact CD2-CD1 3.41Å; L644-I655 VanDerWaalsContact CD2-CD1 3.41Å; L644-I655 HydrophobicContact CG-CD1 3.7Å; L644-L674 HydrophobicContact CD1-CD1 3.69Å; L644-L677 HydrophobicContact CD1-CB 4.33Å; L644-V681 HydrophobicContact CB-CG2 4.32Å; L644-V681 HydrophobicContact CD2-CB 4.41Å; L644-V681 HydrophobicContact CD2-CG1 4.31Å; L644-V681 HydrophobicContact CD2-CG2 3.74Å |
| 645 | Q | 84.6 | Confident | 88.7 | Confident | 158 Ų | 158 | 43.8 Ų | 43.8 | 74% | 0.738 | 22% | 0.215 | S | C | * | . | H | α-helix | trans | -75.7 | -30.3 | 178.5 | -75.4 | 172.4 | 17.1 | 0 | 0 | 113.4 | G641 T642 V643 | G641-Q645 VanDerWaalsContact O-CB 3.23Å; G641-Q645 WeakPolarHBondContact O-CB 3.5Å; G641-Q645 WeakPolarHBondContact O-CG 3.29Å; G641-Q645 PolarHBondContact O-N 3.34Å; T642-Q645 PolarHBondContact O-N 2.96Å; V643-Q645 VanDerWaalsContact C-N 3.33Å; V643-Q645 PolarHBondContact O-N 2.95Å |
| 646 | Q | 83.4 | Confident | 88.7 | Confident | 98 Ų | 98 | 43.4 Ų | 43.4 | 46% | 0.458 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -88.7 | -7.1 | 179.2 | -68.3 | -176.5 | 17.7 | 0 | 0 | 112.9 | T642 V643 V648 | T642-Q646 WeakPolarHBondContact O-CB 3.43Å; T642-Q646 WeakPolarHBondContact O-CG 3.41Å; T642-Q646 PolarHBondContact O-N 3.28Å; V643-Q646 PolarHBondContact O-N 3.24Å; Q646-V648 VanDerWaalsContact C-N 3.34Å; Q646-V648 HydrophobicContact CB-CG2 3.77Å |
| 647 | H | 82.1 | Confident | 88.7 | Confident | 79 Ų | 79 | 45.6 Ų | 45.6 | 37% | 0.366 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 56.6 | 44.7 | -177.4 | -63.8 | -86.6 | 0 | 0 | 0 | 112.8 | V643 L649 Q684 D685 | V643-H647 PolarHBondContact O-N 2.96Å; H647-L649 PolarHBondContact O-N 2.84Å; H647-Q684 PolarHBondContact CE1-OE1 3.37Å; H647-D685 IonicContact CG-OD2 3.9Å; H647-D685 IonicContact ND1-OD1 3.16Å; H647-D685 IonicContact ND1-OD2 2.8Å; H647-D685 PolarHBondContact ND1-OD2 3.33Å |
| 648 | V | 83.4 | Confident | 88.7 | Confident | 27 Ų | 27 | 43.9 Ų | 43.9 | 16% | 0.164 | 22% | 0.22 | C | C | . | . | trans | -88.6 | 89.1 | 177.9 | -167.6 | 0 | 0 | 0 | 0 | 109.1 | V643 Q646 E650 F651 Y652 | V643-V648 HydrophobicContact CG1-CB 4.37Å; V643-V648 WeakPolarHBondContact CG1-O 3.44Å; V643-V648 PolarHBondContact O-N 3.32Å; Q646-V648 VanDerWaalsContact C-N 3.34Å; Q646-V648 HydrophobicContact CB-CG2 3.77Å; V648-E650 PolarHBondContact O-N 3.36Å; V648-F651 HydrophobicContact CB-CD2 4Å; V648-F651 HydrophobicContact CB-CE2 4.45Å; V648-F651 HydrophobicContact CG1-CD2 3.42Å; V648-F651 VanDerWaalsContact CG1-CD2 3.42Å; V648-F651 HydrophobicContact CG1-CE2 3.52Å; V648-F651 HydrophobicContact CG1-CG 4.49Å; V648-F651 PolarHBondContact O-N 3.26Å; V648-Y652 WeakPolarHBondContact O-CD1 3.15Å | ||
| 649 | L | 82.5 | Confident | 88.9 | Confident | 66 Ų | 66 | 37.8 Ų | 37.8 | 35% | 0.346 | 19% | 0.191 | S | C | . | . | G | 310 helix | trans | -55.6 | -34.5 | -174.8 | -65.7 | 176.3 | 0 | 0 | 0 | 113.7 | H647 F651 Y652 D685 Y689 | H647-L649 PolarHBondContact O-N 2.84Å; L649-F651 PolarHBondContact O-N 3.08Å; L649-Y652 HydrophobicContact CD2-CD2 3.93Å; L649-Y652 HydrophobicContact CD2-CE1 4.48Å; L649-Y652 HydrophobicContact CD2-CE2 3.31Å; L649-Y652 PolarHBondContact O-N 3.36Å; L649-D685 HydrophobicContact CD2-CB 3.9Å; L649-Y689 HydrophobicContact CD2-CE2 4.44Å; L649-Y689 PolarHBondContact O-OH 3.44Å |
| 650 | E | 83.6 | Confident | 88.9 | Confident | 94 Ų | 94 | 40.4 Ų | 40.4 | 44% | 0.439 | 20% | 0.203 | S | C | . | . | G | 310 helix | trans | -58.9 | -21.5 | -177.1 | -67.5 | 171.2 | -174 | 0 | 0 | 113.7 | M609 V648 | M609-E650 HydrophobicContact CE-CB 4.33Å; M609-E650 WeakPolarHBondContact CE-O 3.48Å; V648-E650 PolarHBondContact O-N 3.36Å |
| 651 | F | 89.1 | Confident | 88.8 | Confident | 9 Ų | 9 | 41.6 Ų | 41.6 | 4% | 0.039 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -109.5 | 10.7 | -177 | -54.5 | -54.5 | 0 | 0 | 0 | 113.9 | F588 I592 A605 A608 M609 L612 V643 V648 L649 E654 I655 | F588-F651 HydrophobicContact CZ-CD2 4.39Å; I592-F651 HydrophobicContact CD1-CD2 3.83Å; I592-F651 HydrophobicContact CD1-CE2 3.65Å; I592-F651 HydrophobicContact CG1-CE2 3.95Å; A605-F651 HydrophobicContact CB-CE1 4.47Å; A605-F651 HydrophobicContact CB-CZ 4.31Å; A608-F651 HydrophobicContact CB-CE1 3.68Å; A608-F651 HydrophobicContact CB-CZ 3.62Å; M609-F651 HydrophobicContact CE-CD1 4.37Å; M609-F651 HydrophobicContact CE-CE1 4.38Å; M609-F651 HydrophobicContact CG-CD1 3.88Å; M609-F651 HydrophobicContact CG-CE1 3.84Å; L612-F651 HydrophobicContact CD1-CB 4.14Å; L612-F651 HydrophobicContact CD1-CD1 4.36Å; L612-F651 HydrophobicContact CD1-CG 4.42Å; V643-F651 HydrophobicContact CG1-CB 3.85Å; V643-F651 HydrophobicContact CG2-CB 4.22Å; V643-F651 HydrophobicContact CG2-CD2 4.44Å; V648-F651 HydrophobicContact CB-CD2 4Å; V648-F651 HydrophobicContact CB-CE2 4.45Å; V648-F651 HydrophobicContact CG1-CD2 3.42Å; V648-F651 VanDerWaalsContact CG1-CD2 3.42Å; V648-F651 HydrophobicContact CG1-CE2 3.52Å; V648-F651 HydrophobicContact CG1-CG 4.49Å; V648-F651 PolarHBondContact O-N 3.26Å; L649-F651 PolarHBondContact O-N 3.08Å; F651-E654 VanDerWaalsContact C-OE2 3.28Å; F651-E654 VanDerWaalsContact CA-OE2 3.22Å; F651-E654 WeakPolarHBondContact CA-OE2 3.38Å; F651-I655 WeakPolarHBondContact O-CG1 3.36Å; F651-I655 WeakPolarHBondContact O-CG2 3.26Å; F651-I655 PolarHBondContact O-N 2.64Å; F651-I655 VanDerWaalsContact O-N 3.17Å |
| 652 | Y | 90.3 | Very high | 88.9 | Confident | 3 Ų | 3 | 41.3 Ų | 41.3 | 1% | 0.012 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -65.7 | -39.7 | -174.8 | -82.3 | 11.3 | 0 | 0 | 0 | 112.4 | V643 L644 V648 L649 I655 L656 V681 D685 Y689 | V643-Y652 HydrophobicContact CG1-CD1 3.98Å; V643-Y652 HydrophobicContact CG1-CE1 4.11Å; L644-Y652 HydrophobicContact CD2-CE1 4.25Å; V648-Y652 WeakPolarHBondContact O-CD1 3.15Å; L649-Y652 HydrophobicContact CD2-CD2 3.93Å; L649-Y652 HydrophobicContact CD2-CE1 4.48Å; L649-Y652 HydrophobicContact CD2-CE2 3.31Å; L649-Y652 PolarHBondContact O-N 3.36Å; Y652-I655 HydrophobicContact CD1-CD1 4.13Å; Y652-I655 VanDerWaalsContact O-CG1 3.25Å; Y652-I655 WeakPolarHBondContact O-CG1 3.38Å; Y652-L656 WeakPolarHBondContact O-CB 3.4Å; Y652-L656 WeakPolarHBondContact O-CD1 3.49Å; Y652-L656 WeakPolarHBondContact O-CG 3.26Å; Y652-L656 PolarHBondContact O-N 3.27Å; Y652-L656 VanDerWaalsContact O-N 3.1Å; Y652-V681 HydrophobicContact CD2-CG1 4.14Å; Y652-V681 HydrophobicContact CE1-CG1 4.45Å; Y652-V681 HydrophobicContact CE2-CG1 3.28Å; Y652-V681 VanDerWaalsContact CZ-CG1 3.48Å; Y652-V681 WeakPolarHBondContact OH-CG1 3.49Å; Y652-D685 PolarHBondContact OH-OD1 2.97Å; Y652-Y689 AromaticContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CE2 4.09Å; Y652-Y689 HydrophobicContact CD2-CG 4.22Å |
| 653 | E | 91.3 | Very high | 89.1 | Confident | 116 Ų | 116 | 40 Ų | 40 | 54% | 0.542 | 20% | 0.199 | S | C | . | . | H | α-helix | trans | -60.6 | -50.2 | 178.2 | -172.3 | 178.7 | 159.2 | 0 | 0 | 110.9 | I655 L656 S657 | E653-I655 PolarHBondContact O-N 3.14Å; E653-L656 PolarHBondContact O-N 2.86Å; E653-S657 PolarHBondContact O-N 3.13Å |
| 654 | E | 92.1 | Very high | 89 | Confident | 22 Ų | 22 | 41.9 Ų | 41.9 | 10% | 0.103 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.6 | -39.8 | -176.4 | -63 | 80.5 | 178 | 0 | 0 | 112.2 | M609 L612 F651 L656 S657 L658 | M609-E654 WeakPolarHBondContact CG-OE1 3.4Å; L612-E654 HydrophobicContact CB-CB 3.82Å; L612-E654 HydrophobicContact CB-CG 4.31Å; L612-E654 HydrophobicContact CD1-CB 3.52Å; L612-E654 HydrophobicContact CD1-CG 4.25Å; L612-E654 HydrophobicContact CG-CB 4.32Å; F651-E654 VanDerWaalsContact C-OE2 3.28Å; F651-E654 VanDerWaalsContact CA-OE2 3.22Å; F651-E654 WeakPolarHBondContact CA-OE2 3.38Å; E654-L656 VanDerWaalsContact C-N 3.32Å; E654-L656 PolarHBondContact O-N 3.35Å; E654-S657 PolarHBondContact O-N 3Å; E654-L658 WeakPolarHBondContact O-CG 3.45Å; E654-L658 PolarHBondContact O-N 3.36Å |
| 655 | I | 93.4 | Very high | 88.9 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.015 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.4 | -30.2 | 177.4 | 66.6 | 171 | 0 | 0 | 0 | 112.4 | L612 I640 V643 L644 F651 Y652 E653 A659 | L612-I655 HydrophobicContact CD1-CG2 4.29Å; I640-I655 HydrophobicContact CB-CB 4.48Å; I640-I655 HydrophobicContact CG1-CB 4.06Å; I640-I655 HydrophobicContact CG1-CG2 4.42Å; I640-I655 HydrophobicContact CG2-CB 4.37Å; I640-I655 HydrophobicContact CG2-CD1 4.4Å; V643-I655 HydrophobicContact CB-CD1 4.04Å; V643-I655 HydrophobicContact CB-CG2 4.03Å; V643-I655 HydrophobicContact CG1-CD1 3.72Å; V643-I655 HydrophobicContact CG1-CG2 4.19Å; V643-I655 HydrophobicContact CG2-CG2 3.86Å; L644-I655 HydrophobicContact CD2-CD1 3.41Å; L644-I655 VanDerWaalsContact CD2-CD1 3.41Å; L644-I655 HydrophobicContact CG-CD1 3.7Å; F651-I655 WeakPolarHBondContact O-CG1 3.36Å; F651-I655 WeakPolarHBondContact O-CG2 3.26Å; F651-I655 PolarHBondContact O-N 2.64Å; F651-I655 VanDerWaalsContact O-N 3.17Å; Y652-I655 HydrophobicContact CD1-CD1 4.13Å; Y652-I655 VanDerWaalsContact O-CG1 3.25Å; Y652-I655 WeakPolarHBondContact O-CG1 3.38Å; E653-I655 PolarHBondContact O-N 3.14Å; I655-A659 WeakPolarHBondContact O-CB 3.41Å; I655-A659 PolarHBondContact O-N 3.21Å |
| 656 | L | 93.7 | Very high | 89 | Confident | 10 Ų | 10 | 43.7 Ų | 43.7 | 5% | 0.052 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -73.4 | -38.6 | 176.3 | -72.4 | 169.1 | 0 | 0 | 0 | 110.2 | Y652 E653 E654 A659 H660 V678 D692 M693 L696 | Y652-L656 WeakPolarHBondContact O-CB 3.4Å; Y652-L656 WeakPolarHBondContact O-CD1 3.49Å; Y652-L656 WeakPolarHBondContact O-CG 3.26Å; Y652-L656 PolarHBondContact O-N 3.27Å; Y652-L656 VanDerWaalsContact O-N 3.1Å; E653-L656 PolarHBondContact O-N 2.86Å; E654-L656 VanDerWaalsContact C-N 3.32Å; E654-L656 PolarHBondContact O-N 3.35Å; L656-A659 PolarHBondContact O-N 3.24Å; L656-H660 WeakPolarHBondContact O-CB 3.49Å; L656-H660 PolarHBondContact O-N 3.28Å; L656-V678 HydrophobicContact CD2-CG1 4.45Å; L656-V678 HydrophobicContact CD2-CG2 4.39Å; L656-D692 HydrophobicContact CD1-CB 3.86Å; L656-M693 HydrophobicContact CD1-CB 4.43Å; L656-M693 HydrophobicContact CD1-CG 3.56Å; L656-M693 HydrophobicContact CD2-CG 3.95Å; L656-M693 HydrophobicContact CG-CG 4.43Å; L656-L696 HydrophobicContact CD2-CD2 3.94Å |
| 657 | S | 93 | Very high | 89.4 | Confident | 45 Ų | 45 | 39.3 Ų | 39.3 | 32% | 0.315 | 20% | 0.2 | S | C | . | . | H | α-helix | trans | -58.9 | -50.1 | 169.5 | -172.8 | 0 | 0 | 0 | 0 | 111.6 | E653 E654 A659 H660 S661 | E653-S657 PolarHBondContact O-N 3.13Å; E654-S657 PolarHBondContact O-N 3Å; S657-A659 VanDerWaalsContact C-N 3.29Å; S657-A659 PolarHBondContact O-N 2.9Å; S657-H660 CarbonylContact O-C 3.54Å; S657-H660 WeakPolarHBondContact O-CA 3.44Å; S657-H660 VanDerWaalsContact O-CB 3.31Å; S657-H660 WeakPolarHBondContact O-CB 3.43Å; S657-H660 PolarHBondContact O-N 3.21Å; S657-S661 PolarHBondContact O-N 3.32Å; S657-S661 PolarHBondContact O-OG 3.13Å |
| 658 | L | 93 | Very high | 89.8 | Confident | 1 Ų | 1 | 36.2 Ų | 36.2 | 1% | 0.005 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57 | -41.7 | 175.6 | -74.6 | 174.1 | 0 | 0 | 0 | 112.7 | L612 I615 D616 L619 I640 E654 H660 L662 | L612-L658 HydrophobicContact CB-CD1 4.32Å; L612-L658 HydrophobicContact CD2-CD1 3.85Å; I615-L658 HydrophobicContact CB-CD2 4.1Å; I615-L658 HydrophobicContact CG2-CD2 3.73Å; D616-L658 HydrophobicContact CB-CD2 3.62Å; D616-L658 HydrophobicContact CB-CG 4.47Å; L619-L658 HydrophobicContact CD1-CD2 3.74Å; I640-L658 HydrophobicContact CD1-CB 4.4Å; E654-L658 WeakPolarHBondContact O-CG 3.45Å; E654-L658 PolarHBondContact O-N 3.36Å; L658-H660 VanDerWaalsContact C-N 3.35Å; L658-L662 WeakPolarHBondContact O-CD1 3.22Å; L658-L662 VanDerWaalsContact O-CG 3.25Å; L658-L662 WeakPolarHBondContact O-CG 3.23Å; L658-L662 PolarHBondContact O-N 3.35Å; L658-L662 VanDerWaalsContact O-N 3.12Å |
| 659 | A | 93.6 | Very high | 90.2 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.008 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -67.2 | -37.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | I640 I655 L656 S657 T663 M671 L674 L696 | I640-A659 HydrophobicContact CD1-CB 4.18Å; I655-A659 WeakPolarHBondContact O-CB 3.41Å; I655-A659 PolarHBondContact O-N 3.21Å; L656-A659 PolarHBondContact O-N 3.24Å; S657-A659 VanDerWaalsContact C-N 3.29Å; S657-A659 PolarHBondContact O-N 2.9Å; A659-T663 WeakPolarHBondContact O-CG2 3.48Å; A659-T663 PolarHBondContact O-N 2.94Å; A659-T663 PolarHBondContact O-OG1 3.39Å; A659-M671 HydrophobicContact CB-CE 4.09Å; A659-L674 HydrophobicContact CB-CD2 3.67Å; A659-L696 HydrophobicContact CB-CD1 3.87Å; A659-L696 HydrophobicContact CB-CD2 3.77Å; A659-L696 HydrophobicContact CB-CG 4.37Å |
| 660 | H | 92.4 | Very high | 90.4 | Very high | 55 Ų | 55 | 41.7 Ų | 41.7 | 26% | 0.255 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -60.7 | -53.8 | 173.2 | 170.8 | 75.3 | 0 | 0 | 0 | 110.3 | L656 S657 L658 L662 T663 C664 P695 N699 | L656-H660 WeakPolarHBondContact O-CB 3.49Å; L656-H660 PolarHBondContact O-N 3.28Å; S657-H660 CarbonylContact O-C 3.54Å; S657-H660 WeakPolarHBondContact O-CA 3.44Å; S657-H660 VanDerWaalsContact O-CB 3.31Å; S657-H660 WeakPolarHBondContact O-CB 3.43Å; S657-H660 PolarHBondContact O-N 3.21Å; L658-H660 VanDerWaalsContact C-N 3.35Å; H660-L662 VanDerWaalsContact C-N 3.25Å; H660-L662 PolarHBondContact O-N 2.95Å; H660-T663 WeakPolarHBondContact O-CA 3.47Å; H660-T663 PolarHBondContact O-N 3.3Å; H660-T663 PolarHBondContact O-OG1 2.97Å; H660-C664 PolarHBondContact O-N 3.22Å; H660-C664 PolarHBondContact O-SG 3.35Å; H660-P695 HydrophobicContact CB-CB 4.3Å; H660-P695 VanDerWaalsContact ND1-C 3.35Å; H660-P695 WeakPolarHBondContact ND1-CB 3.45Å; H660-P695 PolarHBondContact ND1-O 3.07Å; H660-P695 VanDerWaalsContact ND1-O 3.13Å; H660-N699 PolarHBondContact CE1-ND2 3.36Å; H660-N699 PolarHBondContact ND1-ND2 3.01Å; H660-N699 PolarHBondContact O-ND2 3.38Å |
| 661 | S | 90.8 | Very high | 90.9 | Very high | 28 Ų | 28 | 37.2 Ų | 37.2 | 20% | 0.196 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -54.5 | -38.7 | 177.9 | -59.8 | 0 | 0 | 0 | 0 | 113 | D616 S657 T663 | D616-S661 VanDerWaalsContact OD1-CB 3.3Å; D616-S661 WeakPolarHBondContact OD1-CB 3.49Å; D616-S661 PolarHBondContact OD1-OG 3.33Å; S657-S661 PolarHBondContact O-N 3.32Å; S657-S661 PolarHBondContact O-OG 3.13Å; S661-T663 VanDerWaalsContact C-N 3.27Å; S661-T663 PolarHBondContact O-N 3.21Å |
| 662 | L | 91.2 | Very high | 91.1 | Very high | 8 Ų | 8 | 37.1 Ų | 37.1 | 4% | 0.042 | 20% | 0.197 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.8 | -15.2 | 176.6 | -70.8 | 168.7 | 0 | 0 | 0 | 114.5 | L619 T629 E633 C636 I640 L658 H660 M671 | L619-L662 HydrophobicContact CD1-CD2 4.04Å; L619-L662 HydrophobicContact CD1-CG 3.97Å; L619-L662 HydrophobicContact CD2-CD2 3.68Å; T629-L662 HydrophobicContact CG2-CD2 4.47Å; E633-L662 HydrophobicContact CB-CD2 4.1Å; E633-L662 HydrophobicContact CG-CD2 4.41Å; C636-L662 HydrophobicContact CB-CD1 3.64Å; I640-L662 HydrophobicContact CD1-CD1 4.47Å; L658-L662 WeakPolarHBondContact O-CD1 3.22Å; L658-L662 VanDerWaalsContact O-CG 3.25Å; L658-L662 WeakPolarHBondContact O-CG 3.23Å; L658-L662 PolarHBondContact O-N 3.35Å; L658-L662 VanDerWaalsContact O-N 3.12Å; H660-L662 VanDerWaalsContact C-N 3.25Å; H660-L662 PolarHBondContact O-N 2.95Å; L662-M671 HydrophobicContact CB-CE 3.91Å; L662-M671 HydrophobicContact CB-SD 4.25Å; L662-M671 HydrophobicContact CD1-CE 4.29Å; L662-M671 HydrophobicContact CD1-SD 4.25Å |
| 663 | T | 91.4 | Very high | 91.1 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.9 | -6.1 | -175.8 | 52.4 | 0 | 0 | 0 | 0 | 114.3 | A659 H660 S661 Q665 V667 M671 L696 N699 | A659-T663 WeakPolarHBondContact O-CG2 3.48Å; A659-T663 PolarHBondContact O-N 2.94Å; A659-T663 PolarHBondContact O-OG1 3.39Å; H660-T663 WeakPolarHBondContact O-CA 3.47Å; H660-T663 PolarHBondContact O-N 3.3Å; H660-T663 PolarHBondContact O-OG1 2.97Å; S661-T663 VanDerWaalsContact C-N 3.27Å; S661-T663 PolarHBondContact O-N 3.21Å; T663-Q665 PolarHBondContact O-N 3.15Å; T663-V667 HydrophobicContact CG2-CG1 4.36Å; T663-V667 HydrophobicContact CG2-CG2 4.44Å; T663-M671 HydrophobicContact CG2-CB 4.1Å; T663-M671 HydrophobicContact CG2-CE 3.72Å; T663-M671 HydrophobicContact CG2-CG 4.18Å; T663-L696 HydrophobicContact CG2-CD1 4Å; T663-N699 WeakPolarHBondContact OG1-CB 3.4Å; T663-N699 PolarHBondContact OG1-ND2 2.7Å |
| 664 | C | 87.3 | Confident | 91.2 | Very high | 41 Ų | 41 | 38.3 Ų | 38.3 | 28% | 0.277 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -58.9 | -43.2 | -175.8 | -67.1 | 0 | 0 | 0 | 0 | 114.1 | H660 N699 V703 | H660-C664 PolarHBondContact O-N 3.22Å; H660-C664 PolarHBondContact O-SG 3.35Å; C664-N699 PolarHBondContact N-ND2 3.15Å; C664-N699 PolarHBondContact SG-ND2 2.86Å; C664-V703 WeakPolarHBondContact O-CG2 3.41Å |
| 665 | Q | 85 | Confident | 91.3 | Very high | 79 Ų | 79 | 37.3 Ų | 37.3 | 37% | 0.369 | 20% | 0.198 | S | C | . | . | S | Bend | trans | -93.2 | -40.6 | -178.2 | -66.9 | -162.6 | 2.7 | 0 | 0 | 114.6 | E623 T663 V703 | E623-Q665 HydrophobicContact CG-CG 4.14Å; E623-Q665 PolarHBondContact O-NE2 2.64Å; E623-Q665 PolarHBondContact O-OE1 2.63Å; T663-Q665 PolarHBondContact O-N 3.15Å; Q665-V703 WeakPolarHBondContact O-CG1 3.49Å |
| 666 | Q | 87.6 | Confident | 91.2 | Very high | 132 Ų | 132 | 39.7 Ų | 39.7 | 62% | 0.617 | 21% | 0.214 | S | C | * | . | trans | -157.1 | 135.6 | -176.6 | -179 | 175.7 | 0.4 | 0 | 0 | 109.8 | ||||
| 667 | V | 91.1 | Very high | 91.1 | Very high | 6 Ų | 6 | 42.9 Ų | 42.9 | 4% | 0.036 | 23% | 0.231 | C | C | . | . | trans | -89.7 | 115.6 | 173.7 | -167.9 | 0 | 0 | 0 | 0 | 110.3 | T663 M671 W672 Y700 V703 D704 | T663-V667 HydrophobicContact CG2-CG1 4.36Å; T663-V667 HydrophobicContact CG2-CG2 4.44Å; V667-M671 HydrophobicContact CG1-CB 3.94Å; V667-W672 VanDerWaalsContact CG1-CD1 3.48Å; V667-W672 HydrophobicContact CG1-CD2 4.13Å; V667-W672 HydrophobicContact CG1-CG 3.99Å; V667-W672 HydrophobicContact CG1-CZ2 4.4Å; V667-W672 VanDerWaalsContact CG1-NE1 3.33Å; V667-Y700 HydrophobicContact CG1-CD1 3.74Å; V667-Y700 HydrophobicContact CG1-CE1 3.56Å; V667-Y700 HydrophobicContact CG2-CD1 4.39Å; V667-V703 HydrophobicContact CG2-CB 4.2Å; V667-V703 HydrophobicContact CG2-CG1 4.24Å; V667-D704 HydrophobicContact CB-CB 3.97Å; V667-D704 HydrophobicContact CG2-CB 3.89Å | ||
| 668 | S | 91.1 | Very high | 91.1 | Very high | 15 Ų | 15 | 40.9 Ų | 40.9 | 11% | 0.105 | 22% | 0.217 | C | C | . | . | trans | -75.7 | 159.8 | 177.3 | 103.1 | 0 | 0 | 0 | 0 | 112 | E633 Q670 M671 W672 | E633-S668 VanDerWaalsContact CD-OG 3.29Å; E633-S668 VanDerWaalsContact OE1-CB 3.26Å; E633-S668 WeakPolarHBondContact OE1-CB 3.44Å; E633-S668 PolarHBondContact OE1-OG 2.85Å; E633-S668 WeakPolarHBondContact OE2-CB 3.35Å; E633-S668 PolarHBondContact OE2-OG 2.9Å; S668-Q670 PolarHBondContact O-N 3.1Å; S668-Q670 PolarHBondContact OG-N 3.12Å; S668-M671 PolarHBondContact O-N 3.14Å; S668-M671 PolarHBondContact OG-N 3.24Å; S668-M671 VanDerWaalsContact OG-N 3.12Å; S668-W672 VanDerWaalsContact O-CD1 3.31Å; S668-W672 PolarHBondContact O-N 3.17Å | ||
| 669 | P | 89.9 | Confident | 91.1 | Very high | 104 Ų | 104 | 43.1 Ų | 43.1 | 68% | 0.675 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -21.9 | 171.7 | -23 | 33.9 | 0 | 0 | 0 | 114.5 | ||
| 670 | Q | 88.6 | Confident | 91 | Very high | 103 Ų | 103 | 47.9 Ų | 47.9 | 48% | 0.481 | 25% | 0.247 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -40.7 | 175.6 | -58.3 | -177.3 | 5.6 | 0 | 0 | 110.3 | L637 S668 W672 Q673 | L637-Q670 HydrophobicContact CD1-CB 3.64Å; S668-Q670 PolarHBondContact O-N 3.1Å; S668-Q670 PolarHBondContact OG-N 3.12Å; Q670-W672 VanDerWaalsContact C-N 3.3Å; Q670-W672 PolarHBondContact O-N 3.44Å; Q670-Q673 VanDerWaalsContact O-CB 3.31Å; Q670-Q673 WeakPolarHBondContact O-CB 3.27Å; Q670-Q673 PolarHBondContact O-N 3.11Å |
| 671 | M | 92.7 | Very high | 90.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -60.2 | -39.7 | 173.1 | -65.4 | -52 | -68.3 | 0 | 0 | 111.6 | E633 L637 A659 L662 T663 V667 S668 Q673 L674 Y700 | E633-M671 HydrophobicContact CG-CG 4.3Å; E633-M671 HydrophobicContact CG-SD 4.02Å; L637-M671 HydrophobicContact CD1-SD 4.27Å; L637-M671 HydrophobicContact CD2-SD 3.72Å; L637-M671 HydrophobicContact CG-SD 4.11Å; A659-M671 HydrophobicContact CB-CE 4.09Å; L662-M671 HydrophobicContact CB-CE 3.91Å; L662-M671 HydrophobicContact CB-SD 4.25Å; L662-M671 HydrophobicContact CD1-CE 4.29Å; L662-M671 HydrophobicContact CD1-SD 4.25Å; T663-M671 HydrophobicContact CG2-CB 4.1Å; T663-M671 HydrophobicContact CG2-CE 3.72Å; T663-M671 HydrophobicContact CG2-CG 4.18Å; V667-M671 HydrophobicContact CG1-CB 3.94Å; S668-M671 PolarHBondContact O-N 3.14Å; S668-M671 PolarHBondContact OG-N 3.24Å; S668-M671 VanDerWaalsContact OG-N 3.12Å; M671-Q673 PolarHBondContact O-N 3.04Å; M671-Q673 VanDerWaalsContact O-N 3.08Å; M671-L674 HydrophobicContact CE-CD2 3.91Å; M671-L674 WeakPolarHBondContact O-CB 3.37Å; M671-L674 PolarHBondContact O-N 2.87Å; M671-Y700 PolarHBondContact O-OH 3.43Å |
| 672 | W | 93.1 | Very high | 91 | Very high | 7 Ų | 7 | 44.4 Ų | 44.4 | 3% | 0.027 | 23% | 0.228 | C | C | . | . | G | 310 helix | trans | -59.1 | -22.7 | 172.4 | -81.5 | 109.4 | 0 | 0 | 0 | 114.5 | V667 S668 Q670 L674 L675 P676 Y700 D704 T707 L708 Y714 | V667-W672 VanDerWaalsContact CG1-CD1 3.48Å; V667-W672 HydrophobicContact CG1-CD2 4.13Å; V667-W672 HydrophobicContact CG1-CG 3.99Å; V667-W672 HydrophobicContact CG1-CZ2 4.4Å; V667-W672 VanDerWaalsContact CG1-NE1 3.33Å; S668-W672 VanDerWaalsContact O-CD1 3.31Å; S668-W672 PolarHBondContact O-N 3.17Å; Q670-W672 VanDerWaalsContact C-N 3.3Å; Q670-W672 PolarHBondContact O-N 3.44Å; W672-L674 VanDerWaalsContact C-N 3.3Å; W672-L675 HydrophobicContact CE3-CD2 4.28Å; W672-L675 HydrophobicContact CZ3-CD2 3.96Å; W672-P676 WeakPolarHBondContact O-CD 3.48Å; W672-Y700 HydrophobicContact CD2-CD1 4.12Å; W672-Y700 HydrophobicContact CD2-CE1 4.27Å; W672-Y700 AromaticContact CE3-CD1 3.91Å; W672-Y700 HydrophobicContact CE3-CD1 3.91Å; W672-Y700 HydrophobicContact CE3-CE1 4.18Å; W672-Y700 AromaticContact CH2-CD1 3.84Å; W672-Y700 HydrophobicContact CH2-CD1 3.84Å; W672-Y700 HydrophobicContact CH2-CG 4.32Å; W672-Y700 HydrophobicContact CZ2-CD1 4.08Å; W672-Y700 AromaticContact CZ3-CD1 3.76Å; W672-Y700 HydrophobicContact CZ3-CD1 3.76Å; W672-Y700 HydrophobicContact CZ3-CE1 4.47Å; W672-Y700 HydrophobicContact CZ3-CG 4.26Å; W672-D704 HydrophobicContact CZ2-CB 4.13Å; W672-D704 PolarHBondContact NE1-OD2 2.79Å; W672-D704 VanDerWaalsContact NE1-OD2 3.11Å; W672-T707 HydrophobicContact CD2-CG2 3.91Å; W672-T707 VanDerWaalsContact CE2-CG2 3.45Å; W672-T707 HydrophobicContact CG-CG2 4.18Å; W672-T707 HydrophobicContact CZ2-CG2 3.86Å; W672-L708 HydrophobicContact CH2-CB 3.88Å; W672-L708 HydrophobicContact CH2-CD1 4.07Å; W672-L708 HydrophobicContact CZ3-CD1 4.34Å; W672-Y714 HydrophobicContact CD2-CE2 4.28Å; W672-Y714 AromaticContact CE3-CD1 3.99Å; W672-Y714 HydrophobicContact CE3-CD1 3.99Å; W672-Y714 AromaticContact CE3-CD2 3.81Å; W672-Y714 HydrophobicContact CE3-CD2 3.81Å; W672-Y714 AromaticContact CE3-CE1 3.96Å; W672-Y714 HydrophobicContact CE3-CE1 3.96Å; W672-Y714 AromaticContact CE3-CE2 3.78Å; W672-Y714 HydrophobicContact CE3-CE2 3.78Å; W672-Y714 AromaticContact CE3-CG 3.92Å; W672-Y714 HydrophobicContact CE3-CG 3.92Å; W672-Y714 AromaticContact CE3-CZ 3.85Å; W672-Y714 HydrophobicContact CH2-CD2 4.46Å; W672-Y714 HydrophobicContact CZ3-CD1 4.15Å; W672-Y714 AromaticContact CZ3-CD2 3.72Å; W672-Y714 HydrophobicContact CZ3-CD2 3.72Å; W672-Y714 HydrophobicContact CZ3-CE2 4.17Å; W672-Y714 AromaticContact CZ3-CG 3.71Å; W672-Y714 HydrophobicContact CZ3-CG 3.71Å |
| 673 | Q | 91.4 | Very high | 90.9 | Very high | 137 Ų | 137 | 48.9 Ų | 48.9 | 64% | 0.64 | 25% | 0.249 | S | C | * | . | G | 310 helix | trans | -78.1 | -14.5 | 173.8 | -62.1 | 176.6 | 19.3 | 0 | 0 | 113 | Q670 M671 P676 | Q670-Q673 VanDerWaalsContact O-CB 3.31Å; Q670-Q673 WeakPolarHBondContact O-CB 3.27Å; Q670-Q673 PolarHBondContact O-N 3.11Å; M671-Q673 PolarHBondContact O-N 3.04Å; M671-Q673 VanDerWaalsContact O-N 3.08Å; Q673-P676 WeakPolarHBondContact O-CD 3.5Å |
| 674 | L | 92.7 | Very high | 90.7 | Very high | 8 Ų | 8 | 54.1 Ų | 54.1 | 4% | 0.042 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -75.5 | -35.7 | 176.8 | -175.5 | 61 | 0 | 0 | 0 | 111.8 | I640 L644 A659 M671 W672 L677 V678 L696 | I640-L674 HydrophobicContact CG2-CD1 3.72Å; I640-L674 HydrophobicContact CG2-CD2 4.28Å; L644-L674 HydrophobicContact CD1-CD1 3.69Å; A659-L674 HydrophobicContact CB-CD2 3.67Å; M671-L674 HydrophobicContact CE-CD2 3.91Å; M671-L674 WeakPolarHBondContact O-CB 3.37Å; M671-L674 PolarHBondContact O-N 2.87Å; W672-L674 VanDerWaalsContact C-N 3.3Å; L674-L677 HydrophobicContact CD1-CD1 4.41Å; L674-L677 WeakPolarHBondContact O-CA 3.49Å; L674-L677 WeakPolarHBondContact O-CB 3.39Å; L674-L677 PolarHBondContact O-N 2.85Å; L674-V678 HydrophobicContact CD1-CG2 4.28Å; L674-V678 HydrophobicContact CG-CG2 3.97Å; L674-V678 PolarHBondContact O-N 3.24Å; L674-L696 HydrophobicContact CD2-CD2 4.42Å |
| 675 | L | 93.8 | Very high | 90.4 | Very high | 0 Ų | 0 | 54.6 Ų | 54.6 | 0% | 0 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -54.2 | -45.5 | -177.5 | 175.9 | 64.1 | 0 | 0 | 0 | 113.7 | W672 L677 V678 Y679 L697 Y700 Y714 I717 I718 M721 | W672-L675 HydrophobicContact CE3-CD2 4.28Å; W672-L675 HydrophobicContact CZ3-CD2 3.96Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 3.48Å; L675-V678 PolarHBondContact O-N 3.14Å; L675-Y679 PolarHBondContact O-N 3.27Å; L675-L697 HydrophobicContact CD1-CD2 3.68Å; L675-Y700 HydrophobicContact CB-CE2 4.11Å; L675-Y700 HydrophobicContact CD1-CD2 4.24Å; L675-Y700 HydrophobicContact CD1-CE2 4.22Å; L675-Y714 HydrophobicContact CD2-CD1 3.8Å; L675-Y714 HydrophobicContact CD2-CG 4.24Å; L675-I717 HydrophobicContact CD1-CG2 3.93Å; L675-I717 HydrophobicContact CG-CG2 4.02Å; L675-I718 HydrophobicContact CD1-CG1 4.38Å; L675-M721 HydrophobicContact CD1-CE 4.18Å |
| 676 | P | 92.8 | Very high | 90.3 | Very high | 54 Ų | 54 | 50.9 Ų | 50.9 | 35% | 0.351 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.1 | -32.7 | 173 | -25.1 | 35.1 | 0 | 0 | 0 | 114.7 | W672 Q673 E680 I717 | W672-P676 WeakPolarHBondContact O-CD 3.48Å; Q673-P676 WeakPolarHBondContact O-CD 3.5Å; P676-E680 PolarHBondContact O-N 3.4Å; P676-E680 VanDerWaalsContact O-N 3.07Å; P676-I717 HydrophobicContact CG-CD1 4.38Å |
| 677 | L | 91.1 | Very high | 90.4 | Very high | 77 Ų | 77 | 46.6 Ų | 46.6 | 40% | 0.403 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -71.8 | -44 | 178.1 | -62.4 | 172.6 | 0 | 0 | 0 | 110.8 | L644 L674 L675 Y679 E680 V681 | L644-L677 HydrophobicContact CD1-CB 4.33Å; L674-L677 HydrophobicContact CD1-CD1 4.41Å; L674-L677 WeakPolarHBondContact O-CA 3.49Å; L674-L677 WeakPolarHBondContact O-CB 3.39Å; L674-L677 PolarHBondContact O-N 2.85Å; L675-L677 VanDerWaalsContact C-N 3.31Å; L675-L677 PolarHBondContact O-N 3.48Å; L677-Y679 PolarHBondContact O-N 3.29Å; L677-E680 PolarHBondContact O-N 2.94Å; L677-E680 VanDerWaalsContact O-N 3.12Å; L677-V681 WeakPolarHBondContact O-CG2 3.46Å; L677-V681 PolarHBondContact O-N 3.04Å |
| 678 | V | 92.3 | Very high | 90.2 | Very high | 3 Ų | 3 | 52 Ų | 52 | 2% | 0.018 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -57.9 | -41.3 | 173.7 | 173.9 | 0 | 0 | 0 | 0 | 110.3 | L656 L674 L675 V681 F682 M693 L696 | L656-V678 HydrophobicContact CD2-CG1 4.45Å; L656-V678 HydrophobicContact CD2-CG2 4.39Å; L674-V678 HydrophobicContact CD1-CG2 4.28Å; L674-V678 HydrophobicContact CG-CG2 3.97Å; L674-V678 PolarHBondContact O-N 3.24Å; L675-V678 PolarHBondContact O-N 3.14Å; V678-V681 PolarHBondContact O-N 2.89Å; V678-F682 WeakPolarHBondContact O-CB 3.16Å; V678-F682 PolarHBondContact O-N 3.06Å; V678-M693 HydrophobicContact CG1-CE 4.32Å; V678-M693 HydrophobicContact CG1-CG 4.03Å; V678-M693 HydrophobicContact CG1-SD 3.67Å; V678-L696 HydrophobicContact CG2-CD2 4.2Å |
| 679 | Y | 94 | Very high | 90.2 | Very high | 48 Ų | 48 | 54.3 Ų | 54.3 | 19% | 0.188 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -63.5 | -41.5 | 175.1 | -177.8 | -115.8 | 0 | 0 | 0 | 113.5 | L675 L677 F682 Q683 I717 S720 M721 | L675-Y679 PolarHBondContact O-N 3.27Å; L677-Y679 PolarHBondContact O-N 3.29Å; Y679-F682 PolarHBondContact O-N 3.48Å; Y679-Q683 HydrophobicContact CE1-CG 4.31Å; Y679-Q683 HydrophobicContact CE2-CG 4.29Å; Y679-Q683 WeakPolarHBondContact O-CG 3.25Å; Y679-Q683 PolarHBondContact O-N 3.16Å; Y679-Q683 PolarHBondContact OH-NE2 3.39Å; Y679-I717 HydrophobicContact CD1-CG1 4.28Å; Y679-I717 HydrophobicContact CD2-CG2 3.86Å; Y679-I717 HydrophobicContact CG-CG1 4.34Å; Y679-I717 HydrophobicContact CG-CG2 3.77Å; Y679-S720 WeakPolarHBondContact OH-CB 3.44Å; Y679-S720 PolarHBondContact OH-OG 3.48Å; Y679-M721 HydrophobicContact CD2-CE 4.46Å; Y679-M721 HydrophobicContact CD2-CG 3.52Å; Y679-M721 HydrophobicContact CD2-SD 3.92Å; Y679-M721 HydrophobicContact CE2-CG 3.88Å |
| 680 | E | 91.5 | Very high | 90.3 | Very high | 101 Ų | 101 | 49.3 Ų | 49.3 | 47% | 0.472 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -62.7 | -43.5 | 176.4 | -178.7 | 171.3 | -174.4 | 0 | 0 | 111.3 | P676 L677 Q683 Q684 | P676-E680 PolarHBondContact O-N 3.4Å; P676-E680 VanDerWaalsContact O-N 3.07Å; L677-E680 PolarHBondContact O-N 2.94Å; L677-E680 VanDerWaalsContact O-N 3.12Å; E680-Q683 WeakPolarHBondContact O-CB 3.36Å; E680-Q683 PolarHBondContact O-N 3.31Å; E680-Q684 WeakPolarHBondContact O-CG 3.43Å; E680-Q684 PolarHBondContact O-N 2.87Å; E680-Q684 PolarHBondContact OE1-NE2 3.38Å |
| 681 | V | 89.9 | Confident | 90.5 | Very high | 8 Ų | 8 | 46 Ų | 46 | 5% | 0.048 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -63.1 | -47.1 | 176.3 | 170.5 | 0 | 0 | 0 | 0 | 111.2 | L644 Y652 L677 V678 Q683 Q684 D685 G686 | L644-V681 HydrophobicContact CB-CG2 4.32Å; L644-V681 HydrophobicContact CD2-CB 4.41Å; L644-V681 HydrophobicContact CD2-CG1 4.31Å; L644-V681 HydrophobicContact CD2-CG2 3.74Å; Y652-V681 HydrophobicContact CD2-CG1 4.14Å; Y652-V681 HydrophobicContact CE1-CG1 4.45Å; Y652-V681 HydrophobicContact CE2-CG1 3.28Å; Y652-V681 VanDerWaalsContact CZ-CG1 3.48Å; Y652-V681 WeakPolarHBondContact OH-CG1 3.49Å; L677-V681 WeakPolarHBondContact O-CG2 3.46Å; L677-V681 PolarHBondContact O-N 3.04Å; V678-V681 PolarHBondContact O-N 2.89Å; V681-Q683 PolarHBondContact O-N 3.1Å; V681-Q684 PolarHBondContact O-N 3.12Å; V681-D685 PolarHBondContact O-N 3.17Å; V681-D685 VanDerWaalsContact O-N 3.11Å; V681-G686 PolarHBondContact O-N 3.33Å |
| 682 | F | 92 | Very high | 90.5 | Very high | 1 Ų | 1 | 48.3 Ų | 48.3 | 0% | 0.004 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -58.3 | -31.5 | 174.4 | 174.9 | -96.9 | 0 | 0 | 0 | 113.4 | V678 Y679 Q684 F687 F690 M693 M721 K724 V725 | V678-F682 WeakPolarHBondContact O-CB 3.16Å; V678-F682 PolarHBondContact O-N 3.06Å; Y679-F682 PolarHBondContact O-N 3.48Å; F682-Q684 VanDerWaalsContact C-N 3.34Å; F682-F687 HydrophobicContact CE1-CD2 4.44Å; F682-F687 AromaticContact CE2-CD2 3.71Å; F682-F687 HydrophobicContact CE2-CD2 3.71Å; F682-F687 HydrophobicContact CE2-CE2 4.32Å; F682-F687 AromaticContact CZ-CD2 3.63Å; F682-F687 HydrophobicContact CZ-CD2 3.63Å; F682-F687 AromaticContact CZ-CE2 3.96Å; F682-F687 HydrophobicContact CZ-CE2 3.96Å; F682-F690 HydrophobicContact CD2-CD2 4.42Å; F682-F690 HydrophobicContact CE2-CB 4.15Å; F682-F690 AromaticContact CE2-CD2 3.84Å; F682-F690 HydrophobicContact CE2-CD2 3.84Å; F682-F690 HydrophobicContact CE2-CG 4.4Å; F682-F690 HydrophobicContact CZ-CD2 4.39Å; F682-M693 HydrophobicContact CB-CE 4.05Å; F682-M693 HydrophobicContact CB-SD 4Å; F682-M693 HydrophobicContact CD2-CE 4.4Å; F682-M693 HydrophobicContact CD2-SD 4Å; F682-M693 HydrophobicContact CG-SD 4.38Å; F682-M721 HydrophobicContact CB-SD 4.31Å; F682-M721 HydrophobicContact CD1-CB 4.19Å; F682-M721 HydrophobicContact CD1-CG 3.59Å; F682-M721 HydrophobicContact CD1-SD 4.23Å; F682-M721 HydrophobicContact CE1-CB 3.87Å; F682-M721 HydrophobicContact CE1-CG 3.77Å; F682-M721 HydrophobicContact CG-CG 4.12Å; F682-M721 HydrophobicContact CG-SD 4.19Å; F682-M721 HydrophobicContact CZ-CB 4.17Å; F682-M721 HydrophobicContact CZ-CG 4.46Å; F682-K724 HydrophobicContact CD1-CD 4.37Å; F682-K724 HydrophobicContact CE1-CB 3.98Å; F682-K724 HydrophobicContact CE1-CD 3.51Å; F682-K724 HydrophobicContact CE1-CG 4.29Å; F682-K724 HydrophobicContact CZ-CB 4.15Å; F682-K724 HydrophobicContact CZ-CD 3.95Å; F682-K724 HydrophobicContact CZ-CG 4.45Å; F682-K724 PolarHBondContact O-NZ 3.2Å; F682-V725 HydrophobicContact CE2-CG2 4.07Å; F682-V725 HydrophobicContact CZ-CG2 3.82Å |
| 683 | Q | 90.1 | Very high | 90.6 | Very high | 103 Ų | 103 | 48.1 Ų | 48.1 | 48% | 0.481 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -72.7 | -28.2 | 176.1 | -77.5 | -170.5 | -23.7 | 0 | 0 | 113.3 | Y679 E680 V681 | Y679-Q683 HydrophobicContact CE1-CG 4.31Å; Y679-Q683 HydrophobicContact CE2-CG 4.29Å; Y679-Q683 WeakPolarHBondContact O-CG 3.25Å; Y679-Q683 PolarHBondContact O-N 3.16Å; Y679-Q683 PolarHBondContact OH-NE2 3.39Å; E680-Q683 WeakPolarHBondContact O-CB 3.36Å; E680-Q683 PolarHBondContact O-N 3.31Å; V681-Q683 PolarHBondContact O-N 3.1Å |
| 684 | Q | 87.1 | Confident | 90.7 | Very high | 109 Ų | 109 | 41.6 Ų | 41.6 | 51% | 0.509 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -93.9 | -78.7 | -174.6 | -65.7 | -179.3 | 27.1 | 0 | 0 | 111.8 | H647 E680 V681 F682 | H647-Q684 PolarHBondContact CE1-OE1 3.37Å; E680-Q684 WeakPolarHBondContact O-CG 3.43Å; E680-Q684 PolarHBondContact O-N 2.87Å; E680-Q684 PolarHBondContact OE1-NE2 3.38Å; V681-Q684 PolarHBondContact O-N 3.12Å; F682-Q684 VanDerWaalsContact C-N 3.34Å |
| 685 | D | 81.3 | Confident | 90.8 | Very high | 52 Ų | 52 | 42.8 Ų | 42.8 | 28% | 0.278 | 22% | 0.215 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -125.5 | -12.6 | -170.3 | 57.4 | -0.5 | 0 | 0 | 0 | 113.7 | H647 L649 Y652 V681 F687 | H647-D685 IonicContact CG-OD2 3.9Å; H647-D685 IonicContact ND1-OD1 3.16Å; H647-D685 IonicContact ND1-OD2 2.8Å; H647-D685 PolarHBondContact ND1-OD2 3.33Å; L649-D685 HydrophobicContact CD2-CB 3.9Å; Y652-D685 PolarHBondContact OH-OD1 2.97Å; V681-D685 PolarHBondContact O-N 3.17Å; V681-D685 VanDerWaalsContact O-N 3.11Å; D685-F687 VanDerWaalsContact C-N 3.33Å; D685-F687 PolarHBondContact O-N 3.19Å |
| 686 | G | 83.2 | Confident | 90.8 | Very high | 0 Ų | 0 | 42.9 Ų | 42.9 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -87.5 | 22.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 115.7 | V681 D688 Y689 M693 | V681-G686 PolarHBondContact O-N 3.33Å; G686-D688 VanDerWaalsContact C-N 3.34Å; G686-Y689 PolarHBondContact O-N 3.3Å; G686-M693 WeakPolarHBondContact O-CE 3.46Å | ||
| 687 | F | 87.6 | Confident | 90.9 | Very high | 42 Ų | 42 | 40.3 Ų | 40.3 | 18% | 0.184 | 20% | 0.199 | C | C | . | . | S | Bend | trans | -66.4 | -36.6 | -176.4 | 179.7 | -108.1 | 0 | 0 | 0 | 112.7 | F682 D685 Y689 K724 V725 P730 | F682-F687 HydrophobicContact CE1-CD2 4.44Å; F682-F687 AromaticContact CE2-CD2 3.71Å; F682-F687 HydrophobicContact CE2-CD2 3.71Å; F682-F687 HydrophobicContact CE2-CE2 4.32Å; F682-F687 AromaticContact CZ-CD2 3.63Å; F682-F687 HydrophobicContact CZ-CD2 3.63Å; F682-F687 AromaticContact CZ-CE2 3.96Å; F682-F687 HydrophobicContact CZ-CE2 3.96Å; D685-F687 VanDerWaalsContact C-N 3.33Å; D685-F687 PolarHBondContact O-N 3.19Å; F687-Y689 VanDerWaalsContact C-N 3.28Å; F687-Y689 PolarHBondContact O-N 3.1Å; F687-K724 HydrophobicContact CD2-CD 4.03Å; F687-K724 HydrophobicContact CD2-CG 4.4Å; F687-K724 HydrophobicContact CE2-CD 4.06Å; F687-K724 HydrophobicContact CE2-CG 3.91Å; F687-V725 HydrophobicContact CE2-CG2 4.24Å; F687-P730 HydrophobicContact CD1-CB 4.49Å; F687-P730 HydrophobicContact CE1-CB 3.62Å; F687-P730 HydrophobicContact CE1-CG 4.25Å; F687-P730 HydrophobicContact CZ-CB 3.9Å; F687-P730 HydrophobicContact CZ-CG 4.03Å |
| 688 | D | 88.3 | Confident | 91.1 | Very high | 120 Ų | 120 | 37.3 Ų | 37.3 | 64% | 0.642 | 18% | 0.183 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -76 | -17.7 | -177.2 | -58.8 | -29.7 | 0 | 0 | 0 | 112.4 | G686 F690 | G686-D688 VanDerWaalsContact C-N 3.34Å; D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.39Å |
| 689 | Y | 90.3 | Very high | 91.2 | Very high | 63 Ų | 63 | 37.7 Ų | 37.7 | 25% | 0.247 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | 21.8 | -179.8 | -64.8 | -89.6 | 0 | 0 | 0 | 113.3 | L649 Y652 G686 F687 T691 D692 M693 | L649-Y689 HydrophobicContact CD2-CE2 4.44Å; L649-Y689 PolarHBondContact O-OH 3.44Å; Y652-Y689 AromaticContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CD2 3.88Å; Y652-Y689 HydrophobicContact CD2-CE2 4.09Å; Y652-Y689 HydrophobicContact CD2-CG 4.22Å; G686-Y689 PolarHBondContact O-N 3.3Å; F687-Y689 VanDerWaalsContact C-N 3.28Å; F687-Y689 PolarHBondContact O-N 3.1Å; Y689-T691 VanDerWaalsContact C-N 3.3Å; Y689-T691 PolarHBondContact O-N 3.29Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.4Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.3Å; Y689-D692 PolarHBondContact O-N 3.23Å; Y689-M693 WeakPolarHBondContact O-CG 3.48Å; Y689-M693 PolarHBondContact O-N 2.78Å |
| 690 | F | 93.3 | Very high | 91.3 | Very high | 0 Ų | 0 | 35.4 Ų | 35.4 | 0% | 0 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -64 | -37.1 | -178 | -179.6 | -98.3 | 0 | 0 | 0 | 112.3 | F682 D688 D692 M693 M694 L697 M721 V725 P734 H737 A738 | F682-F690 HydrophobicContact CD2-CD2 4.42Å; F682-F690 HydrophobicContact CE2-CB 4.15Å; F682-F690 AromaticContact CE2-CD2 3.84Å; F682-F690 HydrophobicContact CE2-CD2 3.84Å; F682-F690 HydrophobicContact CE2-CG 4.4Å; F682-F690 HydrophobicContact CZ-CD2 4.39Å; D688-F690 VanDerWaalsContact C-N 3.29Å; D688-F690 PolarHBondContact O-N 3.39Å; F690-D692 VanDerWaalsContact C-N 3.29Å; F690-D692 PolarHBondContact O-N 3.03Å; F690-M693 PolarHBondContact O-N 3.1Å; F690-M694 PolarHBondContact O-N 3.46Å; F690-M694 VanDerWaalsContact O-N 3.12Å; F690-L697 HydrophobicContact CE2-CD1 4.21Å; F690-M721 HydrophobicContact CD2-CB 4.48Å; F690-M721 HydrophobicContact CE2-CB 3.97Å; F690-V725 HydrophobicContact CB-CG2 4.1Å; F690-V725 HydrophobicContact CD1-CG1 4.26Å; F690-V725 HydrophobicContact CD1-CG2 3.93Å; F690-V725 HydrophobicContact CD2-CG2 3.66Å; F690-V725 HydrophobicContact CE1-CG2 4.3Å; F690-V725 HydrophobicContact CE2-CG2 4.04Å; F690-V725 HydrophobicContact CG-CG2 3.59Å; F690-V725 HydrophobicContact CZ-CG2 4.35Å; F690-P734 HydrophobicContact CD1-CB 4.35Å; F690-H737 HydrophobicContact CD1-CB 4.27Å; F690-H737 HydrophobicContact CE1-CB 3.95Å; F690-A738 HydrophobicContact CE1-CB 3.69Å; F690-A738 HydrophobicContact CZ-CB 3.9Å |
| 691 | T | 92.6 | Very high | 91.4 | Very high | 34 Ų | 34 | 30.6 Ų | 30.6 | 21% | 0.209 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -40.6 | 176.1 | -59.3 | 0 | 0 | 0 | 0 | 110.5 | Y689 M693 M694 P695 D733 | Y689-T691 VanDerWaalsContact C-N 3.3Å; Y689-T691 PolarHBondContact O-N 3.29Å; T691-M693 PolarHBondContact O-N 3.28Å; T691-M694 VanDerWaalsContact O-CB 3.24Å; T691-M694 WeakPolarHBondContact O-CB 3.4Å; T691-M694 PolarHBondContact O-N 3.01Å; T691-P695 WeakPolarHBondContact O-CD 3.45Å; T691-D733 PolarHBondContact OG1-OD2 2.95Å; T691-D733 VanDerWaalsContact OG1-OD2 3.11Å |
| 692 | D | 92.7 | Very high | 91.5 | Very high | 47 Ų | 47 | 31.8 Ų | 31.8 | 25% | 0.251 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -73.4 | -26.7 | 177.3 | -45.6 | -66.4 | 0 | 0 | 0 | 113.2 | L656 Y689 F690 M694 P695 | L656-D692 HydrophobicContact CD1-CB 3.86Å; Y689-D692 WeakPolarHBondContact CA-OD2 3.4Å; Y689-D692 WeakPolarHBondContact CD1-OD2 3.3Å; Y689-D692 PolarHBondContact O-N 3.23Å; F690-D692 VanDerWaalsContact C-N 3.29Å; F690-D692 PolarHBondContact O-N 3.03Å; D692-M694 VanDerWaalsContact C-N 3.3Å; D692-P695 WeakPolarHBondContact O-CD 3.41Å |
| 693 | M | 94.6 | Very high | 91.4 | Very high | 3 Ų | 3 | 34.1 Ų | 34.1 | 2% | 0.015 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -73.9 | -24.9 | 173.8 | -68.1 | 177.7 | -166.1 | 0 | 0 | 112 | L656 V678 F682 G686 Y689 F690 T691 L696 L697 | L656-M693 HydrophobicContact CD1-CB 4.43Å; L656-M693 HydrophobicContact CD1-CG 3.56Å; L656-M693 HydrophobicContact CD2-CG 3.95Å; L656-M693 HydrophobicContact CG-CG 4.43Å; V678-M693 HydrophobicContact CG1-CE 4.32Å; V678-M693 HydrophobicContact CG1-CG 4.03Å; V678-M693 HydrophobicContact CG1-SD 3.67Å; F682-M693 HydrophobicContact CB-CE 4.05Å; F682-M693 HydrophobicContact CB-SD 4Å; F682-M693 HydrophobicContact CD2-CE 4.4Å; F682-M693 HydrophobicContact CD2-SD 4Å; F682-M693 HydrophobicContact CG-SD 4.38Å; G686-M693 WeakPolarHBondContact O-CE 3.46Å; Y689-M693 WeakPolarHBondContact O-CG 3.48Å; Y689-M693 PolarHBondContact O-N 2.78Å; F690-M693 PolarHBondContact O-N 3.1Å; T691-M693 PolarHBondContact O-N 3.28Å; M693-L696 PolarHBondContact O-N 2.83Å; M693-L697 HydrophobicContact CB-CD1 4.36Å; M693-L697 VanDerWaalsContact O-CG 3.32Å; M693-L697 WeakPolarHBondContact O-CG 3.3Å; M693-L697 PolarHBondContact O-N 3.41Å |
| 694 | M | 93.2 | Very high | 91.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -56.1 | -47.6 | -172 | 179.1 | 75.2 | 179.5 | 0 | 0 | 113.7 | F690 T691 D692 L696 L697 H698 H737 K740 M741 Y946 | F690-M694 PolarHBondContact O-N 3.46Å; F690-M694 VanDerWaalsContact O-N 3.12Å; T691-M694 VanDerWaalsContact O-CB 3.24Å; T691-M694 WeakPolarHBondContact O-CB 3.4Å; T691-M694 PolarHBondContact O-N 3.01Å; D692-M694 VanDerWaalsContact C-N 3.3Å; M694-L696 VanDerWaalsContact C-N 3.32Å; M694-L696 PolarHBondContact O-N 3.34Å; M694-L697 PolarHBondContact O-N 3.48Å; M694-H698 WeakPolarHBondContact O-CB 3.23Å; M694-H698 PolarHBondContact O-N 3.27Å; M694-H737 HydrophobicContact CG-CB 4.49Å; M694-H737 HydrophobicContact SD-CB 4.43Å; M694-K740 HydrophobicContact CE-CB 4.28Å; M694-K740 HydrophobicContact CE-CG 4.23Å; M694-M741 HydrophobicContact CE-CB 3.86Å; M694-M741 HydrophobicContact CE-CE 3.55Å; M694-M741 HydrophobicContact CG-CE 4.41Å; M694-M741 HydrophobicContact SD-CB 3.76Å; M694-M741 HydrophobicContact SD-CE 3.21Å; M694-M741 WeakPolarHBondContact SD-CE 3.48Å; M694-M741 HydrophobicContact SD-CG 4.39Å; M694-Y946 HydrophobicContact CB-CE1 4.34Å; M694-Y946 HydrophobicContact CE-CD1 3.96Å; M694-Y946 HydrophobicContact CE-CD2 4.04Å; M694-Y946 HydrophobicContact CE-CE1 4.2Å; M694-Y946 HydrophobicContact CE-CE2 4.28Å; M694-Y946 HydrophobicContact CE-CG 3.87Å; M694-Y946 HydrophobicContact CG-CD1 4.15Å; M694-Y946 HydrophobicContact CG-CE1 3.46Å; M694-Y946 VanDerWaalsContact CG-CE1 3.46Å; M694-Y946 HydrophobicContact CG-CE2 3.91Å; M694-Y946 WeakPolarHBondContact CG-OH 3.37Å |
| 695 | P | 94.1 | Very high | 91.6 | Very high | 34 Ų | 34 | 26 Ų | 26 | 22% | 0.221 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.6 | -39.8 | 178.9 | -24.4 | 34.9 | 0 | 0 | 0 | 113.3 | H660 T691 D692 H698 N699 Y946 | H660-P695 HydrophobicContact CB-CB 4.3Å; H660-P695 VanDerWaalsContact ND1-C 3.35Å; H660-P695 WeakPolarHBondContact ND1-CB 3.45Å; H660-P695 PolarHBondContact ND1-O 3.07Å; H660-P695 VanDerWaalsContact ND1-O 3.13Å; T691-P695 WeakPolarHBondContact O-CD 3.45Å; D692-P695 WeakPolarHBondContact O-CD 3.41Å; P695-H698 PolarHBondContact O-N 3.45Å; P695-N699 PolarHBondContact O-N 2.91Å; P695-N699 VanDerWaalsContact O-N 3.17Å; P695-Y946 HydrophobicContact CG-CE1 4.25Å |
| 696 | L | 94.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -67.3 | -44.4 | 175.8 | 173.4 | 62.3 | 0 | 0 | 0 | 111.4 | L656 A659 T663 L674 V678 M693 M694 H698 N699 Y700 | L656-L696 HydrophobicContact CD2-CD2 3.94Å; A659-L696 HydrophobicContact CB-CD1 3.87Å; A659-L696 HydrophobicContact CB-CD2 3.77Å; A659-L696 HydrophobicContact CB-CG 4.37Å; T663-L696 HydrophobicContact CG2-CD1 4Å; L674-L696 HydrophobicContact CD2-CD2 4.42Å; V678-L696 HydrophobicContact CG2-CD2 4.2Å; M693-L696 PolarHBondContact O-N 2.83Å; M694-L696 VanDerWaalsContact C-N 3.32Å; M694-L696 PolarHBondContact O-N 3.34Å; L696-H698 VanDerWaalsContact C-N 3.26Å; L696-H698 PolarHBondContact O-N 3.14Å; L696-N699 PolarHBondContact O-N 3.5Å; L696-Y700 HydrophobicContact CD1-CD2 4.29Å; L696-Y700 HydrophobicContact CD1-CE2 3.59Å; L696-Y700 HydrophobicContact CD2-CE2 4.18Å; L696-Y700 HydrophobicContact CG-CD2 4.23Å; L696-Y700 HydrophobicContact CG-CE2 3.61Å; L696-Y700 WeakPolarHBondContact O-CD2 3.33Å; L696-Y700 PolarHBondContact O-N 3.21Å |
| 697 | L | 95.4 | Very high | 92.5 | Very high | 0 Ų | 0 | 30.8 Ų | 30.8 | 0% | 0 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -62 | -36.5 | 176.6 | -65 | -178.5 | 0 | 0 | 0 | 111.7 | L675 F690 M693 M694 Y700 V701 I718 M721 M741 | L675-L697 HydrophobicContact CD1-CD2 3.68Å; F690-L697 HydrophobicContact CE2-CD1 4.21Å; M693-L697 HydrophobicContact CB-CD1 4.36Å; M693-L697 VanDerWaalsContact O-CG 3.32Å; M693-L697 WeakPolarHBondContact O-CG 3.3Å; M693-L697 PolarHBondContact O-N 3.41Å; M694-L697 PolarHBondContact O-N 3.48Å; L697-Y700 PolarHBondContact O-N 2.91Å; L697-V701 WeakPolarHBondContact O-CG2 3.22Å; L697-V701 PolarHBondContact O-N 3.01Å; L697-I718 HydrophobicContact CD2-CG1 4.28Å; L697-M721 HydrophobicContact CD1-CE 3.89Å; L697-M721 HydrophobicContact CD1-SD 4.41Å; L697-M721 HydrophobicContact CD2-CE 3.59Å; L697-M721 HydrophobicContact CG-CE 4.41Å; L697-M741 HydrophobicContact CB-CE 3.56Å |
| 698 | H | 95.1 | Very high | 92.7 | Very high | 14 Ų | 14 | 28.8 Ų | 28.8 | 7% | 0.065 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.7 | -46.4 | 178.9 | 178.9 | -88.6 | 0 | 0 | 0 | 110.4 | M694 P695 L696 Y700 V701 T702 M741 Y946 T947 | M694-H698 WeakPolarHBondContact O-CB 3.23Å; M694-H698 PolarHBondContact O-N 3.27Å; P695-H698 PolarHBondContact O-N 3.45Å; L696-H698 VanDerWaalsContact C-N 3.26Å; L696-H698 PolarHBondContact O-N 3.14Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.35Å; H698-V701 WeakPolarHBondContact O-CA 3.43Å; H698-V701 WeakPolarHBondContact O-CB 3.48Å; H698-V701 PolarHBondContact O-N 3.41Å; H698-T702 VanDerWaalsContact CE1-CG2 3.43Å; H698-T702 WeakPolarHBondContact CE1-CG2 3.47Å; H698-T702 PolarHBondContact O-N 2.98Å; H698-T702 PolarHBondContact O-OG1 3.44Å; H698-M741 HydrophobicContact CB-CE 4.13Å; H698-Y946 HydrophobicContact CB-CD1 4.07Å; H698-Y946 AromaticContact CD2-CD1 3.88Å; H698-Y946 AromaticContact CG-CD1 3.98Å; H698-T947 PolarHBondContact NE2-O 3.36Å |
| 699 | N | 94 | Very high | 92.8 | Very high | 11 Ų | 11 | 25.5 Ų | 25.5 | 6% | 0.059 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -57.9 | -41.2 | 176.3 | -75.1 | -2.6 | 0 | 0 | 0 | 113 | H660 T663 C664 P695 L696 V701 T702 V703 | H660-N699 PolarHBondContact CE1-ND2 3.36Å; H660-N699 PolarHBondContact ND1-ND2 3.01Å; H660-N699 PolarHBondContact O-ND2 3.38Å; T663-N699 WeakPolarHBondContact OG1-CB 3.4Å; T663-N699 PolarHBondContact OG1-ND2 2.7Å; C664-N699 PolarHBondContact N-ND2 3.15Å; C664-N699 PolarHBondContact SG-ND2 2.86Å; P695-N699 PolarHBondContact O-N 2.91Å; P695-N699 VanDerWaalsContact O-N 3.17Å; L696-N699 PolarHBondContact O-N 3.5Å; N699-V701 PolarHBondContact O-N 2.68Å; N699-T702 PolarHBondContact O-N 3.34Å; N699-V703 HydrophobicContact CB-CG2 4.23Å; N699-V703 VanDerWaalsContact O-CB 3.24Å; N699-V703 WeakPolarHBondContact O-CB 3.46Å; N699-V703 WeakPolarHBondContact O-CG2 3.21Å; N699-V703 PolarHBondContact O-N 2.76Å |
| 700 | Y | 95.1 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.4 | -30.3 | 174.7 | -73.8 | -60.5 | 0 | 0 | 0 | 112.9 | V667 M671 W672 L675 L696 L697 H698 | V667-Y700 HydrophobicContact CG1-CD1 3.74Å; V667-Y700 HydrophobicContact CG1-CE1 3.56Å; V667-Y700 HydrophobicContact CG2-CD1 4.39Å; M671-Y700 PolarHBondContact O-OH 3.43Å; W672-Y700 HydrophobicContact CD2-CD1 4.12Å; W672-Y700 HydrophobicContact CD2-CE1 4.27Å; W672-Y700 AromaticContact CE3-CD1 3.91Å; W672-Y700 HydrophobicContact CE3-CD1 3.91Å; W672-Y700 HydrophobicContact CE3-CE1 4.18Å; W672-Y700 AromaticContact CH2-CD1 3.84Å; W672-Y700 HydrophobicContact CH2-CD1 3.84Å; W672-Y700 HydrophobicContact CH2-CG 4.32Å; W672-Y700 HydrophobicContact CZ2-CD1 4.08Å; W672-Y700 AromaticContact CZ3-CD1 3.76Å; W672-Y700 HydrophobicContact CZ3-CD1 3.76Å; W672-Y700 HydrophobicContact CZ3-CE1 4.47Å; W672-Y700 HydrophobicContact CZ3-CG 4.26Å; L675-Y700 HydrophobicContact CB-CE2 4.11Å; L675-Y700 HydrophobicContact CD1-CD2 4.24Å; L675-Y700 HydrophobicContact CD1-CE2 4.22Å; L696-Y700 HydrophobicContact CD1-CD2 4.29Å; L696-Y700 HydrophobicContact CD1-CE2 3.59Å; L696-Y700 HydrophobicContact CD2-CE2 4.18Å; L696-Y700 HydrophobicContact CG-CD2 4.23Å; L696-Y700 HydrophobicContact CG-CE2 3.61Å; L696-Y700 WeakPolarHBondContact O-CD2 3.33Å; L696-Y700 PolarHBondContact O-N 3.21Å; L697-Y700 PolarHBondContact O-N 2.91Å; H698-Y700 VanDerWaalsContact C-N 3.34Å; H698-Y700 PolarHBondContact O-N 3.35Å |
| 701 | V | 93.8 | Very high | 92.5 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -84.7 | -45.4 | -179.6 | 177.7 | 0 | 0 | 0 | 0 | 111.5 | L697 H698 N699 T705 L708 I718 M741 V744 I745 Q748 | L697-V701 WeakPolarHBondContact O-CG2 3.22Å; L697-V701 PolarHBondContact O-N 3.01Å; H698-V701 WeakPolarHBondContact O-CA 3.43Å; H698-V701 WeakPolarHBondContact O-CB 3.48Å; H698-V701 PolarHBondContact O-N 3.41Å; N699-V701 PolarHBondContact O-N 2.68Å; V701-T705 PolarHBondContact O-OG1 3.25Å; V701-L708 HydrophobicContact CB-CD2 4.43Å; V701-L708 HydrophobicContact CG1-CD2 4.4Å; V701-L708 HydrophobicContact CG2-CD2 4.06Å; V701-I718 HydrophobicContact CG2-CD1 3.94Å; V701-M741 HydrophobicContact CG2-SD 4.17Å; V701-V744 HydrophobicContact CG1-CG1 4.12Å; V701-I745 HydrophobicContact CG1-CG1 3.96Å; V701-I745 HydrophobicContact CG2-CD1 4.47Å; V701-I745 HydrophobicContact CG2-CG1 3.88Å; V701-Q748 HydrophobicContact CG1-CB 4.13Å; V701-Q748 HydrophobicContact CG1-CG 4.16Å |
| 702 | T | 92.1 | Very high | 92.2 | Very high | 33 Ų | 33 | 33.2 Ų | 33.2 | 20% | 0.202 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -85.8 | -38.6 | -170.6 | 55.4 | 0 | 0 | 0 | 0 | 113.3 | H698 N699 V744 Q748 | H698-T702 VanDerWaalsContact CE1-CG2 3.43Å; H698-T702 WeakPolarHBondContact CE1-CG2 3.47Å; H698-T702 PolarHBondContact O-N 2.98Å; H698-T702 PolarHBondContact O-OG1 3.44Å; N699-T702 PolarHBondContact O-N 3.34Å; T702-V744 HydrophobicContact CG2-CG1 4.11Å; T702-Q748 PolarHBondContact O-NE2 3.23Å |
| 703 | V | 91.3 | Very high | 92 | Very high | 51 Ų | 51 | 37.2 Ų | 37.2 | 31% | 0.309 | 21% | 0.21 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -83.4 | -43.3 | -173.4 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | C664 Q665 V667 N699 | C664-V703 WeakPolarHBondContact O-CG2 3.41Å; Q665-V703 WeakPolarHBondContact O-CG1 3.49Å; V667-V703 HydrophobicContact CG2-CB 4.2Å; V667-V703 HydrophobicContact CG2-CG1 4.24Å; N699-V703 HydrophobicContact CB-CG2 4.23Å; N699-V703 VanDerWaalsContact O-CB 3.24Å; N699-V703 WeakPolarHBondContact O-CB 3.46Å; N699-V703 WeakPolarHBondContact O-CG2 3.21Å; N699-V703 PolarHBondContact O-N 2.76Å |
| 704 | D | 90.8 | Very high | 91.9 | Very high | 33 Ų | 33 | 39.2 Ų | 39.2 | 18% | 0.176 | 22% | 0.218 | C | C | . | . | trans | -130.7 | 59.5 | -178.5 | -170.4 | 7.4 | 0 | 0 | 0 | 112.9 | V667 W672 D706 T707 L708 | V667-D704 HydrophobicContact CB-CB 3.97Å; V667-D704 HydrophobicContact CG2-CB 3.89Å; W672-D704 HydrophobicContact CZ2-CB 4.13Å; W672-D704 PolarHBondContact NE1-OD2 2.79Å; W672-D704 VanDerWaalsContact NE1-OD2 3.11Å; D704-D706 PolarHBondContact O-N 3.06Å; D704-T707 VanDerWaalsContact CG-CB 3.48Å; D704-T707 PolarHBondContact O-N 3.08Å; D704-T707 WeakPolarHBondContact OD1-CB 3.45Å; D704-T707 PolarHBondContact OD1-N 2.98Å; D704-T707 VanDerWaalsContact OD1-N 3.13Å; D704-T707 PolarHBondContact OD1-OG1 3.25Å; D704-T707 VanDerWaalsContact OD1-OG1 3.04Å; D704-T707 WeakPolarHBondContact OD2-CB 3.36Å; D704-T707 PolarHBondContact OD2-OG1 2.92Å; D704-L708 PolarHBondContact O-N 3.38Å | ||
| 705 | T | 90.8 | Very high | 91.9 | Very high | 7 Ų | 7 | 40.1 Ų | 40.1 | 4% | 0.043 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -57.7 | -30.6 | 177.8 | -43.1 | 0 | 0 | 0 | 0 | 112.8 | V701 L708 L709 Q748 | V701-T705 PolarHBondContact O-OG1 3.25Å; T705-L708 WeakPolarHBondContact O-CB 3.25Å; T705-L708 PolarHBondContact O-N 2.82Å; T705-L709 HydrophobicContact CG2-CD1 4.08Å; T705-L709 HydrophobicContact CG2-CG 4.39Å; T705-L709 VanDerWaalsContact O-CG 3.32Å; T705-L709 WeakPolarHBondContact O-CG 3.3Å; T705-L709 PolarHBondContact O-N 3.41Å; T705-L709 VanDerWaalsContact O-N 3.09Å; T705-Q748 HydrophobicContact CG2-CG 4.32Å; T705-Q748 PolarHBondContact OG1-NE2 2.88Å |
| 706 | D | 91.1 | Very high | 91.8 | Very high | 111 Ų | 111 | 44.6 Ų | 44.6 | 59% | 0.594 | 24% | 0.24 | S | C | * | . | H | α-helix | trans | -70 | -41 | -177.5 | -72.3 | -22.1 | 0 | 0 | 0 | 111.5 | D704 L709 S710 R752 | D704-D706 PolarHBondContact O-N 3.06Å; D706-L709 PolarHBondContact O-N 3.11Å; D706-S710 WeakPolarHBondContact O-CB 3.36Å; D706-S710 PolarHBondContact O-N 3.25Å; D706-S710 VanDerWaalsContact O-N 3.12Å; D706-R752 IonicContact OD1-NH1 2.98Å; D706-R752 PolarHBondContact OD1-NH1 3.5Å |
| 707 | T | 91.9 | Very high | 91.8 | Very high | 42 Ų | 42 | 45.7 Ų | 45.7 | 26% | 0.258 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -68.9 | -39.5 | 173.6 | -58.8 | 0 | 0 | 0 | 0 | 111.6 | W672 D704 L709 S710 Y714 | W672-T707 HydrophobicContact CD2-CG2 3.91Å; W672-T707 VanDerWaalsContact CE2-CG2 3.45Å; W672-T707 HydrophobicContact CG-CG2 4.18Å; W672-T707 HydrophobicContact CZ2-CG2 3.86Å; D704-T707 VanDerWaalsContact CG-CB 3.48Å; D704-T707 PolarHBondContact O-N 3.08Å; D704-T707 WeakPolarHBondContact OD1-CB 3.45Å; D704-T707 PolarHBondContact OD1-N 2.98Å; D704-T707 VanDerWaalsContact OD1-N 3.13Å; D704-T707 PolarHBondContact OD1-OG1 3.25Å; D704-T707 VanDerWaalsContact OD1-OG1 3.04Å; D704-T707 WeakPolarHBondContact OD2-CB 3.36Å; D704-T707 PolarHBondContact OD2-OG1 2.92Å; T707-L709 VanDerWaalsContact C-N 3.26Å; T707-L709 PolarHBondContact O-N 3.23Å; T707-S710 WeakPolarHBondContact O-CB 3.39Å; T707-S710 PolarHBondContact O-N 3.34Å; T707-S710 PolarHBondContact O-OG 2.86Å; T707-Y714 HydrophobicContact CG2-CE2 4.26Å |
| 708 | L | 91.8 | Very high | 91.9 | Very high | 0 Ų | 0 | 45.7 Ų | 45.7 | 0% | 0 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -52.6 | -45.5 | 174 | -178.6 | 74 | 0 | 0 | 0 | 111.7 | W672 V701 D704 T705 S710 I718 | W672-L708 HydrophobicContact CH2-CB 3.88Å; W672-L708 HydrophobicContact CH2-CD1 4.07Å; W672-L708 HydrophobicContact CZ3-CD1 4.34Å; V701-L708 HydrophobicContact CB-CD2 4.43Å; V701-L708 HydrophobicContact CG1-CD2 4.4Å; V701-L708 HydrophobicContact CG2-CD2 4.06Å; D704-L708 PolarHBondContact O-N 3.38Å; T705-L708 WeakPolarHBondContact O-CB 3.25Å; T705-L708 PolarHBondContact O-N 2.82Å; L708-S710 VanDerWaalsContact C-N 3.34Å; L708-I718 HydrophobicContact CD1-CD1 3.89Å |
| 709 | L | 90.6 | Very high | 91.9 | Very high | 52 Ų | 52 | 46.5 Ų | 46.5 | 27% | 0.272 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -80.4 | -13.9 | -178.4 | -64.8 | 176.8 | 0 | 0 | 0 | 113.5 | T705 D706 T707 R752 I754 | T705-L709 HydrophobicContact CG2-CD1 4.08Å; T705-L709 HydrophobicContact CG2-CG 4.39Å; T705-L709 VanDerWaalsContact O-CG 3.32Å; T705-L709 WeakPolarHBondContact O-CG 3.3Å; T705-L709 PolarHBondContact O-N 3.41Å; T705-L709 VanDerWaalsContact O-N 3.09Å; D706-L709 PolarHBondContact O-N 3.11Å; T707-L709 VanDerWaalsContact C-N 3.26Å; T707-L709 PolarHBondContact O-N 3.23Å; L709-R752 HydrophobicContact CD1-CB 3.62Å; L709-R752 HydrophobicContact CD1-CG 4.43Å; L709-I754 HydrophobicContact CD2-CG2 3.66Å |
| 710 | S | 89.8 | Confident | 92 | Very high | 92 Ų | 92 | 47.8 Ų | 47.8 | 64% | 0.643 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -74 | -33.3 | -179.8 | 77.7 | 0 | 0 | 0 | 0 | 113.4 | D706 T707 L708 | D706-S710 WeakPolarHBondContact O-CB 3.36Å; D706-S710 PolarHBondContact O-N 3.25Å; D706-S710 VanDerWaalsContact O-N 3.12Å; T707-S710 WeakPolarHBondContact O-CB 3.39Å; T707-S710 PolarHBondContact O-N 3.34Å; T707-S710 PolarHBondContact O-OG 2.86Å; L708-S710 VanDerWaalsContact C-N 3.34Å |
| 711 | D | 87.2 | Confident | 92 | Very high | 54 Ų | 54 | 47.8 Ų | 47.8 | 29% | 0.289 | 26% | 0.258 | S | S | . | . | S | Bend | trans | -121.4 | 113.3 | 174.1 | -170.1 | -17.9 | 0 | 0 | 0 | 110 | K713 Y714 | D711-K713 PolarHBondContact O-N 3.41Å; D711-K713 WeakPolarHBondContact OD1-CB 3.46Å; D711-K713 WeakPolarHBondContact OD1-CG 3.24Å; D711-K713 PolarHBondContact OD1-N 3.36Å; D711-Y714 HydrophobicContact CB-CD2 3.8Å; D711-Y714 HydrophobicContact CB-CE2 3.8Å; D711-Y714 PolarHBondContact O-N 3.32Å; D711-Y714 VanDerWaalsContact O-N 3.11Å |
| 712 | T | 85.2 | Confident | 92.1 | Very high | 112 Ų | 112 | 47.8 Ų | 47.8 | 69% | 0.687 | 26% | 0.258 | S | S | * | . | H | α-helix | trans | -57.5 | -21.9 | -179 | 53.2 | 0 | 0 | 0 | 0 | 113.4 | Y714 E716 | T712-Y714 VanDerWaalsContact C-N 3.34Å; T712-Y714 PolarHBondContact O-N 3.05Å; T712-E716 WeakPolarHBondContact O-CB 3.46Å; T712-E716 PolarHBondContact O-N 2.75Å; T712-E716 VanDerWaalsContact O-N 3.15Å |
| 713 | K | 90.3 | Very high | 92.3 | Very high | 132 Ų | 132 | 50.6 Ų | 50.6 | 57% | 0.574 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -65.7 | -34.1 | 178.7 | -67.9 | 176 | -179.6 | 176.3 | 0 | 113.2 | D711 E716 I717 | D711-K713 PolarHBondContact O-N 3.41Å; D711-K713 WeakPolarHBondContact OD1-CB 3.46Å; D711-K713 WeakPolarHBondContact OD1-CG 3.24Å; D711-K713 PolarHBondContact OD1-N 3.36Å; K713-E716 PolarHBondContact O-N 2.97Å; K713-I717 VanDerWaalsContact O-CG1 3.29Å; K713-I717 WeakPolarHBondContact O-CG1 3.35Å; K713-I717 PolarHBondContact O-N 3.32Å |
| 714 | Y | 92.4 | Very high | 92.4 | Very high | 45 Ų | 45 | 51.8 Ų | 51.8 | 18% | 0.176 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.3 | -46.9 | -177.9 | -63.4 | -43.6 | 0 | 0 | 0 | 111.1 | W672 L675 T707 D711 T712 E716 I717 I718 | W672-Y714 HydrophobicContact CD2-CE2 4.28Å; W672-Y714 AromaticContact CE3-CD1 3.99Å; W672-Y714 HydrophobicContact CE3-CD1 3.99Å; W672-Y714 AromaticContact CE3-CD2 3.81Å; W672-Y714 HydrophobicContact CE3-CD2 3.81Å; W672-Y714 AromaticContact CE3-CE1 3.96Å; W672-Y714 HydrophobicContact CE3-CE1 3.96Å; W672-Y714 AromaticContact CE3-CE2 3.78Å; W672-Y714 HydrophobicContact CE3-CE2 3.78Å; W672-Y714 AromaticContact CE3-CG 3.92Å; W672-Y714 HydrophobicContact CE3-CG 3.92Å; W672-Y714 AromaticContact CE3-CZ 3.85Å; W672-Y714 HydrophobicContact CH2-CD2 4.46Å; W672-Y714 HydrophobicContact CZ3-CD1 4.15Å; W672-Y714 AromaticContact CZ3-CD2 3.72Å; W672-Y714 HydrophobicContact CZ3-CD2 3.72Å; W672-Y714 HydrophobicContact CZ3-CE2 4.17Å; W672-Y714 AromaticContact CZ3-CG 3.71Å; W672-Y714 HydrophobicContact CZ3-CG 3.71Å; L675-Y714 HydrophobicContact CD2-CD1 3.8Å; L675-Y714 HydrophobicContact CD2-CG 4.24Å; T707-Y714 HydrophobicContact CG2-CE2 4.26Å; D711-Y714 HydrophobicContact CB-CD2 3.8Å; D711-Y714 HydrophobicContact CB-CE2 3.8Å; D711-Y714 PolarHBondContact O-N 3.32Å; D711-Y714 VanDerWaalsContact O-N 3.11Å; T712-Y714 VanDerWaalsContact C-N 3.34Å; T712-Y714 PolarHBondContact O-N 3.05Å; Y714-E716 VanDerWaalsContact C-N 3.3Å; Y714-E716 PolarHBondContact O-N 3.26Å; Y714-I717 WeakPolarHBondContact O-CB 3.47Å; Y714-I717 PolarHBondContact O-N 3.37Å; Y714-I718 WeakPolarHBondContact O-CG1 3.38Å; Y714-I718 PolarHBondContact O-N 2.89Å; Y714-I718 VanDerWaalsContact O-N 3.16Å |
| 715 | L | 91.8 | Very high | 92.6 | Very high | 18 Ų | 18 | 50.2 Ų | 50.2 | 9% | 0.094 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -63.1 | -37.3 | 174.6 | -174.8 | 62.1 | 0 | 0 | 0 | 112.3 | Y719 I745 I754 V757 F761 | L715-Y719 WeakPolarHBondContact O-CB 3.48Å; L715-Y719 PolarHBondContact O-N 3.1Å; L715-I745 HydrophobicContact CD1-CD1 4.25Å; L715-I745 HydrophobicContact CD1-CG2 3.79Å; L715-I754 HydrophobicContact CD2-CG2 4.48Å; L715-V757 HydrophobicContact CD2-CG1 4.31Å; L715-V757 HydrophobicContact CD2-CG2 4.06Å; L715-F761 HydrophobicContact CD1-CZ 4.3Å |
| 716 | E | 93.1 | Very high | 92.7 | Very high | 128 Ų | 128 | 49.9 Ų | 49.9 | 60% | 0.598 | 26% | 0.259 | S | S | * | . | H | α-helix | trans | -63.5 | -40.5 | 175.6 | -175 | 176.5 | -172.9 | 0 | 0 | 112.2 | T712 K713 Y714 S720 | T712-E716 WeakPolarHBondContact O-CB 3.46Å; T712-E716 PolarHBondContact O-N 2.75Å; T712-E716 VanDerWaalsContact O-N 3.15Å; K713-E716 PolarHBondContact O-N 2.97Å; Y714-E716 VanDerWaalsContact C-N 3.3Å; Y714-E716 PolarHBondContact O-N 3.26Å; E716-S720 VanDerWaalsContact O-CB 3.26Å; E716-S720 WeakPolarHBondContact O-CB 3.49Å; E716-S720 PolarHBondContact O-N 3.41Å |
| 717 | I | 95.4 | Very high | 92.7 | Very high | 25 Ų | 25 | 48.1 Ų | 48.1 | 13% | 0.128 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.3 | -54 | 175.7 | -76.3 | 165.1 | 0 | 0 | 0 | 110.5 | L675 P676 Y679 K713 Y714 Y719 S720 M721 | L675-I717 HydrophobicContact CD1-CG2 3.93Å; L675-I717 HydrophobicContact CG-CG2 4.02Å; P676-I717 HydrophobicContact CG-CD1 4.38Å; Y679-I717 HydrophobicContact CD1-CG1 4.28Å; Y679-I717 HydrophobicContact CD2-CG2 3.86Å; Y679-I717 HydrophobicContact CG-CG1 4.34Å; Y679-I717 HydrophobicContact CG-CG2 3.77Å; K713-I717 VanDerWaalsContact O-CG1 3.29Å; K713-I717 WeakPolarHBondContact O-CG1 3.35Å; K713-I717 PolarHBondContact O-N 3.32Å; Y714-I717 WeakPolarHBondContact O-CB 3.47Å; Y714-I717 PolarHBondContact O-N 3.37Å; I717-Y719 VanDerWaalsContact C-N 3.35Å; I717-Y719 PolarHBondContact O-N 2.96Å; I717-S720 WeakPolarHBondContact O-CB 3.46Å; I717-S720 PolarHBondContact O-N 2.98Å; I717-S720 VanDerWaalsContact O-N 3.13Å; I717-M721 HydrophobicContact CG2-CE 3.58Å; I717-M721 PolarHBondContact O-N 3.42Å; I717-M721 VanDerWaalsContact O-N 3.08Å |
| 718 | I | 95.6 | Very high | 92.4 | Very high | 0 Ų | 0 | 47.2 Ų | 47.2 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -60.4 | -45.7 | -178.9 | -59.3 | 179.3 | 0 | 0 | 0 | 110.7 | L675 L697 V701 L708 Y714 S720 M721 C722 M741 I745 | L675-I718 HydrophobicContact CD1-CG1 4.38Å; L697-I718 HydrophobicContact CD2-CG1 4.28Å; V701-I718 HydrophobicContact CG2-CD1 3.94Å; L708-I718 HydrophobicContact CD1-CD1 3.89Å; Y714-I718 WeakPolarHBondContact O-CG1 3.38Å; Y714-I718 PolarHBondContact O-N 2.89Å; Y714-I718 VanDerWaalsContact O-N 3.16Å; I718-S720 VanDerWaalsContact C-N 3.34Å; I718-S720 PolarHBondContact O-N 2.75Å; I718-M721 HydrophobicContact CG1-CE 4.4Å; I718-M721 PolarHBondContact O-N 3.05Å; I718-C722 PolarHBondContact O-N 3.5Å; I718-C722 VanDerWaalsContact O-N 3.11Å; I718-C722 PolarHBondContact O-SG 3.45Å; I718-M741 HydrophobicContact CG2-CG 3.91Å; I718-M741 HydrophobicContact CG2-SD 4.14Å; I718-I745 HydrophobicContact CG2-CD1 3.85Å |
| 719 | Y | 95.5 | Very high | 92 | Very high | 30 Ų | 30 | 54 Ų | 54 | 12% | 0.118 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.1 | -40.9 | 176 | 172.9 | -117.4 | 0 | 0 | 0 | 112.4 | L715 I717 M721 C722 K723 L742 L760 F761 T764 | L715-Y719 WeakPolarHBondContact O-CB 3.48Å; L715-Y719 PolarHBondContact O-N 3.1Å; I717-Y719 VanDerWaalsContact C-N 3.35Å; I717-Y719 PolarHBondContact O-N 2.96Å; Y719-M721 VanDerWaalsContact C-N 3.26Å; Y719-M721 PolarHBondContact O-N 3.47Å; Y719-C722 PolarHBondContact O-N 3.3Å; Y719-K723 HydrophobicContact CE1-CD 4.11Å; Y719-K723 HydrophobicContact CE2-CB 4.23Å; Y719-K723 VanDerWaalsContact O-CB 3.23Å; Y719-K723 WeakPolarHBondContact O-CB 3.36Å; Y719-K723 PolarHBondContact O-N 3.31Å; Y719-L742 HydrophobicContact CD2-CD2 3.99Å; Y719-L760 HydrophobicContact CE1-CB 4.32Å; Y719-L760 HydrophobicContact CE1-CD1 4.43Å; Y719-L760 HydrophobicContact CE2-CB 4.41Å; Y719-F761 AromaticContact CD2-CD1 3.34Å; Y719-F761 HydrophobicContact CD2-CD1 3.34Å; Y719-F761 AromaticContact CD2-CE1 3.28Å; Y719-F761 HydrophobicContact CD2-CE1 3.28Å; Y719-F761 HydrophobicContact CD2-CZ 4.43Å; Y719-F761 AromaticContact CE2-CD1 3.56Å; Y719-F761 HydrophobicContact CE2-CD1 3.56Å; Y719-F761 AromaticContact CE2-CE1 3.95Å; Y719-F761 HydrophobicContact CE2-CE1 3.95Å; Y719-F761 HydrophobicContact CG-CD1 4.13Å; Y719-F761 AromaticContact CG-CE1 3.62Å; Y719-F761 HydrophobicContact CG-CE1 3.62Å; Y719-T764 PolarHBondContact OH-OG1 3.48Å |
| 720 | S | 95.9 | Very high | 91.6 | Very high | 38 Ų | 38 | 53 Ų | 53 | 27% | 0.266 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -62.8 | -34.3 | 178.8 | -178 | 0 | 0 | 0 | 0 | 112.2 | Y679 E716 I717 I718 K724 | Y679-S720 WeakPolarHBondContact OH-CB 3.44Å; Y679-S720 PolarHBondContact OH-OG 3.48Å; E716-S720 VanDerWaalsContact O-CB 3.26Å; E716-S720 WeakPolarHBondContact O-CB 3.49Å; E716-S720 PolarHBondContact O-N 3.41Å; I717-S720 WeakPolarHBondContact O-CB 3.46Å; I717-S720 PolarHBondContact O-N 2.98Å; I717-S720 VanDerWaalsContact O-N 3.13Å; I718-S720 VanDerWaalsContact C-N 3.34Å; I718-S720 PolarHBondContact O-N 2.75Å; S720-K724 WeakPolarHBondContact O-CB 3.45Å; S720-K724 PolarHBondContact O-N 3.21Å; S720-K724 VanDerWaalsContact O-N 3.11Å |
| 721 | M | 95.8 | Very high | 91.4 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -67.2 | -55.2 | 174.7 | -65.2 | -174.9 | -81.2 | 0 | 0 | 110.4 | L675 Y679 F682 F690 L697 I717 I718 Y719 K723 K724 V725 | L675-M721 HydrophobicContact CD1-CE 4.18Å; Y679-M721 HydrophobicContact CD2-CE 4.46Å; Y679-M721 HydrophobicContact CD2-CG 3.52Å; Y679-M721 HydrophobicContact CD2-SD 3.92Å; Y679-M721 HydrophobicContact CE2-CG 3.88Å; F682-M721 HydrophobicContact CB-SD 4.31Å; F682-M721 HydrophobicContact CD1-CB 4.19Å; F682-M721 HydrophobicContact CD1-CG 3.59Å; F682-M721 HydrophobicContact CD1-SD 4.23Å; F682-M721 HydrophobicContact CE1-CB 3.87Å; F682-M721 HydrophobicContact CE1-CG 3.77Å; F682-M721 HydrophobicContact CG-CG 4.12Å; F682-M721 HydrophobicContact CG-SD 4.19Å; F682-M721 HydrophobicContact CZ-CB 4.17Å; F682-M721 HydrophobicContact CZ-CG 4.46Å; F690-M721 HydrophobicContact CD2-CB 4.48Å; F690-M721 HydrophobicContact CE2-CB 3.97Å; L697-M721 HydrophobicContact CD1-CE 3.89Å; L697-M721 HydrophobicContact CD1-SD 4.41Å; L697-M721 HydrophobicContact CD2-CE 3.59Å; L697-M721 HydrophobicContact CG-CE 4.41Å; I717-M721 HydrophobicContact CG2-CE 3.58Å; I717-M721 PolarHBondContact O-N 3.42Å; I717-M721 VanDerWaalsContact O-N 3.08Å; I718-M721 HydrophobicContact CG1-CE 4.4Å; I718-M721 PolarHBondContact O-N 3.05Å; Y719-M721 VanDerWaalsContact C-N 3.26Å; Y719-M721 PolarHBondContact O-N 3.47Å; M721-K723 PolarHBondContact O-N 2.87Å; M721-K724 PolarHBondContact O-N 3.33Å; M721-V725 WeakPolarHBondContact O-CG2 3.42Å; M721-V725 PolarHBondContact O-N 3.08Å |
| 722 | C | 96.4 | Very high | 91.4 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -54.8 | -42.2 | 178.4 | -59 | 0 | 0 | 0 | 0 | 112 | I718 Y719 V725 L726 A738 M741 L742 | I718-C722 PolarHBondContact O-N 3.5Å; I718-C722 VanDerWaalsContact O-N 3.11Å; I718-C722 PolarHBondContact O-SG 3.45Å; Y719-C722 PolarHBondContact O-N 3.3Å; C722-V725 PolarHBondContact O-N 3.47Å; C722-L726 WeakPolarHBondContact O-CB 3.49Å; C722-L726 WeakPolarHBondContact O-CG 3.27Å; C722-L726 PolarHBondContact O-N 3.18Å; C722-A738 HydrophobicContact CB-CB 4.21Å; C722-M741 VanDerWaalsContact SG-CG 3.56Å; C722-L742 HydrophobicContact CB-CD2 3.89Å; C722-L742 HydrophobicContact CB-CG 4.16Å |
| 723 | K | 95.4 | Very high | 91.6 | Very high | 92 Ų | 92 | 47.7 Ų | 47.7 | 40% | 0.4 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.3 | -175.8 | -178.2 | -177.3 | 174.4 | 0 | 112.3 | Y719 M721 V725 T727 T764 | Y719-K723 HydrophobicContact CE1-CD 4.11Å; Y719-K723 HydrophobicContact CE2-CB 4.23Å; Y719-K723 VanDerWaalsContact O-CB 3.23Å; Y719-K723 WeakPolarHBondContact O-CB 3.36Å; Y719-K723 PolarHBondContact O-N 3.31Å; M721-K723 PolarHBondContact O-N 2.87Å; K723-V725 VanDerWaalsContact C-N 3.33Å; K723-T727 HydrophobicContact CG-CG2 4.34Å; K723-T727 WeakPolarHBondContact O-CB 3.31Å; K723-T727 WeakPolarHBondContact O-CG2 3.45Å; K723-T727 PolarHBondContact O-N 2.7Å; K723-T727 VanDerWaalsContact O-N 3.07Å; K723-T727 PolarHBondContact O-OG1 2.85Å; K723-T764 HydrophobicContact CB-CG2 4.33Å; K723-T764 HydrophobicContact CG-CG2 4.07Å |
| 724 | K | 94.7 | Very high | 91.7 | Very high | 76 Ų | 76 | 42.2 Ų | 42.2 | 33% | 0.33 | 23% | 0.228 | S | C | . | . | H | α-helix | trans | -63.7 | -41.4 | 178.8 | -169 | -173.7 | 173.5 | -169.5 | 0 | 110.5 | F682 F687 S720 M721 T727 G728 | F682-K724 HydrophobicContact CD1-CD 4.37Å; F682-K724 HydrophobicContact CE1-CB 3.98Å; F682-K724 HydrophobicContact CE1-CD 3.51Å; F682-K724 HydrophobicContact CE1-CG 4.29Å; F682-K724 HydrophobicContact CZ-CB 4.15Å; F682-K724 HydrophobicContact CZ-CD 3.95Å; F682-K724 HydrophobicContact CZ-CG 4.45Å; F682-K724 PolarHBondContact O-NZ 3.2Å; F687-K724 HydrophobicContact CD2-CD 4.03Å; F687-K724 HydrophobicContact CD2-CG 4.4Å; F687-K724 HydrophobicContact CE2-CD 4.06Å; F687-K724 HydrophobicContact CE2-CG 3.91Å; S720-K724 WeakPolarHBondContact O-CB 3.45Å; S720-K724 PolarHBondContact O-N 3.21Å; S720-K724 VanDerWaalsContact O-N 3.11Å; M721-K724 PolarHBondContact O-N 3.33Å; K724-T727 PolarHBondContact O-OG1 3.06Å; K724-G728 PolarHBondContact O-N 3.46Å |
| 725 | V | 94.7 | Very high | 91.7 | Very high | 0 Ų | 0 | 40.1 Ų | 40.1 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -63 | -54.8 | 175.6 | 177.7 | 0 | 0 | 0 | 0 | 110.9 | F682 F687 F690 M721 C722 K723 T727 G728 P730 P734 E735 A738 | F682-V725 HydrophobicContact CE2-CG2 4.07Å; F682-V725 HydrophobicContact CZ-CG2 3.82Å; F687-V725 HydrophobicContact CE2-CG2 4.24Å; F690-V725 HydrophobicContact CB-CG2 4.1Å; F690-V725 HydrophobicContact CD1-CG1 4.26Å; F690-V725 HydrophobicContact CD1-CG2 3.93Å; F690-V725 HydrophobicContact CD2-CG2 3.66Å; F690-V725 HydrophobicContact CE1-CG2 4.3Å; F690-V725 HydrophobicContact CE2-CG2 4.04Å; F690-V725 HydrophobicContact CG-CG2 3.59Å; F690-V725 HydrophobicContact CZ-CG2 4.35Å; M721-V725 WeakPolarHBondContact O-CG2 3.42Å; M721-V725 PolarHBondContact O-N 3.08Å; C722-V725 PolarHBondContact O-N 3.47Å; K723-V725 VanDerWaalsContact C-N 3.33Å; V725-T727 PolarHBondContact O-N 3.35Å; V725-T727 VanDerWaalsContact O-N 3.07Å; V725-G728 PolarHBondContact O-N 3.05Å; V725-G728 VanDerWaalsContact O-N 3.17Å; V725-P730 HydrophobicContact CG1-CG 3.84Å; V725-P734 HydrophobicContact CG1-CB 3.92Å; V725-P734 VanDerWaalsContact CG1-O 3.29Å; V725-P734 WeakPolarHBondContact CG1-O 3.31Å; V725-E735 HydrophobicContact CG1-CG 4.18Å; V725-A738 HydrophobicContact CB-CB 3.95Å; V725-A738 HydrophobicContact CG1-CB 3.78Å |
| 726 | L | 93 | Very high | 91.8 | Very high | 1 Ų | 1 | 39.3 Ų | 39.3 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -67.6 | -8.7 | -178.5 | -72 | 170.7 | 0 | 0 | 0 | 115.4 | C722 E735 A738 A739 L742 T764 R768 R771 | C722-L726 WeakPolarHBondContact O-CB 3.49Å; C722-L726 WeakPolarHBondContact O-CG 3.27Å; C722-L726 PolarHBondContact O-N 3.18Å; L726-E735 HydrophobicContact CD2-CB 4.19Å; L726-E735 WeakPolarHBondContact CD2-O 3.33Å; L726-A738 HydrophobicContact CD1-CB 4.25Å; L726-A738 HydrophobicContact CD2-CB 4.27Å; L726-A738 HydrophobicContact CG-CB 3.82Å; L726-A739 HydrophobicContact CD2-CB 4.44Å; L726-L742 HydrophobicContact CD1-CD1 3.69Å; L726-T764 HydrophobicContact CB-CG2 3.85Å; L726-T764 HydrophobicContact CD1-CG2 3.88Å; L726-R768 HydrophobicContact CD2-CB 4.44Å; L726-R768 HydrophobicContact CD2-CG 4.34Å; L726-R771 VanDerWaalsContact C-NH2 3.3Å; L726-R771 PolarHBondContact O-NH2 2.98Å |
| 727 | T | 90.7 | Very high | 91.8 | Very high | 73 Ų | 73 | 33.7 Ų | 33.7 | 45% | 0.448 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -114.4 | -14.3 | 175.3 | 58.3 | 0 | 0 | 0 | 0 | 113.2 | K723 K724 V725 | K723-T727 HydrophobicContact CG-CG2 4.34Å; K723-T727 WeakPolarHBondContact O-CB 3.31Å; K723-T727 WeakPolarHBondContact O-CG2 3.45Å; K723-T727 PolarHBondContact O-N 2.7Å; K723-T727 VanDerWaalsContact O-N 3.07Å; K723-T727 PolarHBondContact O-OG1 2.85Å; K724-T727 PolarHBondContact O-OG1 3.06Å; V725-T727 PolarHBondContact O-N 3.35Å; V725-T727 VanDerWaalsContact O-N 3.07Å |
| 728 | G | 86.1 | Confident | 91.9 | Very high | 23 Ų | 23 | 32.5 Ų | 32.5 | 24% | 0.237 | 18% | 0.184 | C | C | . | . | S | Bend | trans | -83.9 | -160 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | K724 V725 R771 | K724-G728 PolarHBondContact O-N 3.46Å; V725-G728 PolarHBondContact O-N 3.05Å; V725-G728 VanDerWaalsContact O-N 3.17Å; G728-R771 PolarHBondContact O-NH1 2.66Å; G728-R771 PolarHBondContact O-NH2 3.07Å |
| 729 | D | 83.2 | Confident | 91.8 | Very high | 142 Ų | 142 | 32.5 Ų | 32.5 | 76% | 0.759 | 18% | 0.184 | S | C | * | . | trans | -136.8 | 61.1 | 175.7 | -165.9 | 20.2 | 0 | 0 | 0 | 111 | G731 | D729-G731 VanDerWaalsContact C-N 3.32Š| ||
| 730 | P | 81.3 | Confident | 91.8 | Very high | 33 Ų | 33 | 31.2 Ų | 31.2 | 21% | 0.214 | 18% | 0.178 | C | C | . | . | S | Bend | trans | -79.6 | -11.8 | -179.9 | 29.8 | -29.5 | 0 | 0 | 0 | 113.8 | F687 V725 P734 E735 | F687-P730 HydrophobicContact CD1-CB 4.49Å; F687-P730 HydrophobicContact CE1-CB 3.62Å; F687-P730 HydrophobicContact CE1-CG 4.25Å; F687-P730 HydrophobicContact CZ-CB 3.9Å; F687-P730 HydrophobicContact CZ-CG 4.03Å; V725-P730 HydrophobicContact CG1-CG 3.84Å; P730-P734 HydrophobicContact CB-CB 4.17Å; P730-P734 HydrophobicContact CB-CG 4.19Å; P730-P734 HydrophobicContact CG-CB 4.06Å; P730-E735 HydrophobicContact CG-CG 4.14Å |
| 731 | G | 86.1 | Confident | 91.8 | Very high | 30 Ų | 30 | 29.4 Ų | 29.4 | 31% | 0.309 | 17% | 0.166 | S | C | . | . | trans | 112.9 | 162.5 | -164.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | D729 E735 | D729-G731 VanDerWaalsContact C-N 3.32Å; G731-E735 VanDerWaalsContact O-CG 3.31Å; G731-E735 WeakPolarHBondContact O-CG 3.32Å | ||
| 732 | E | 87.3 | Confident | 91.9 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 15% | 0.15 | 17% | 0.166 | C | C | . | . | H | α-helix | trans | -75.1 | -30.1 | -174 | -62.2 | -162.5 | 157.5 | 0 | 0 | 113.1 | E735 C736 R768 K774 T775 L778 | E732-E735 WeakPolarHBondContact O-CB 3.47Å; E732-E735 PolarHBondContact O-N 3.38Å; E732-C736 PolarHBondContact O-N 2.68Å; E732-C736 PolarHBondContact O-SG 3.28Å; E732-R768 IonicContact OE1-NH2 2.98Å; E732-K774 WeakPolarHBondContact OE1-CB 3.44Å; E732-K774 PolarHBondContact OE1-N 2.84Å; E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.18Å; E732-T775 PolarHBondContact OE2-N 3Å; E732-T775 PolarHBondContact OE2-OG1 2.99Å; E732-L778 HydrophobicContact CB-CB 4.48Å; E732-L778 HydrophobicContact CB-CD2 3.94Å; E732-L778 HydrophobicContact CG-CD2 3.82Å |
| 733 | D | 89.4 | Confident | 91.8 | Very high | 84 Ų | 84 | 29.4 Ų | 29.4 | 45% | 0.449 | 17% | 0.166 | S | C | . | . | H | α-helix | trans | -62.6 | -51.7 | 179.6 | 171.6 | 76.7 | 0 | 0 | 0 | 113.4 | T691 E735 C736 H737 | T691-D733 PolarHBondContact OG1-OD2 2.95Å; T691-D733 VanDerWaalsContact OG1-OD2 3.11Å; D733-E735 PolarHBondContact O-N 3.07Å; D733-C736 WeakPolarHBondContact O-CB 3.4Å; D733-C736 PolarHBondContact O-N 3.5Å; D733-C736 VanDerWaalsContact O-N 3.1Å; D733-H737 PolarHBondContact O-N 3.04Å; D733-H737 VanDerWaalsContact O-N 3.1Å; D733-H737 PolarHBondContact O-ND1 3.16Å; D733-H737 IonicContact OD1-CE1 2.66Å; D733-H737 PolarHBondContact OD1-CE1 3.48Å; D733-H737 IonicContact OD1-ND1 3.35Å; D733-H737 PolarHBondContact OD1-ND1 3.01Å; D733-H737 IonicContact OD2-CE1 3.84Å; D733-H737 IonicContact OD2-ND1 2.87Å |
| 734 | P | 91.1 | Very high | 91.8 | Very high | 16 Ų | 16 | 25 Ų | 25 | 10% | 0.104 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.7 | -32.8 | 173.9 | -26.6 | 35.5 | 0 | 0 | 0 | 112.7 | F690 V725 P730 H737 A738 | F690-P734 HydrophobicContact CD1-CB 4.35Å; V725-P734 HydrophobicContact CG1-CB 3.92Å; V725-P734 VanDerWaalsContact CG1-O 3.29Å; V725-P734 WeakPolarHBondContact CG1-O 3.31Å; P730-P734 HydrophobicContact CB-CB 4.17Å; P730-P734 HydrophobicContact CB-CG 4.19Å; P730-P734 HydrophobicContact CG-CB 4.06Å; P734-H737 PolarHBondContact O-N 3.05Å; P734-A738 WeakPolarHBondContact O-CB 3.36Å; P734-A738 PolarHBondContact O-N 2.97Å |
| 735 | E | 93.8 | Very high | 91.8 | Very high | 1 Ų | 1 | 21.4 Ų | 21.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67.2 | -37.4 | 176.2 | -67.8 | -179.3 | 136.5 | 0 | 0 | 112.2 | V725 L726 P730 G731 E732 D733 A738 A739 R768 R771 L778 | V725-E735 HydrophobicContact CG1-CG 4.18Å; L726-E735 HydrophobicContact CD2-CB 4.19Å; L726-E735 WeakPolarHBondContact CD2-O 3.33Å; P730-E735 HydrophobicContact CG-CG 4.14Å; G731-E735 VanDerWaalsContact O-CG 3.31Å; G731-E735 WeakPolarHBondContact O-CG 3.32Å; E732-E735 WeakPolarHBondContact O-CB 3.47Å; E732-E735 PolarHBondContact O-N 3.38Å; D733-E735 PolarHBondContact O-N 3.07Å; E735-A738 PolarHBondContact O-N 3.17Å; E735-A739 PolarHBondContact O-N 2.92Å; E735-R768 WeakPolarHBondContact OE1-CD 3.39Å; E735-R768 IonicContact OE1-CZ 3.66Å; E735-R768 IonicContact OE1-NE 2.92Å; E735-R768 PolarHBondContact OE1-NE 3.37Å; E735-R768 IonicContact OE1-NH2 3.48Å; E735-R768 IonicContact OE2-CZ 3.91Å; E735-R768 IonicContact OE2-NE 3.71Å; E735-R768 PolarHBondContact OE2-NE 3.19Å; E735-R768 IonicContact OE2-NH2 2.76Å; E735-R768 PolarHBondContact OE2-NH2 3.44Å; E735-R771 IonicContact OE1-CZ 2.9Å; E735-R771 IonicContact OE1-NH2 2.77Å; E735-R771 PolarHBondContact OE1-NH2 2.9Å; E735-L778 HydrophobicContact CB-CD1 3.61Å; E735-L778 HydrophobicContact CB-CD2 4.22Å; E735-L778 VanDerWaalsContact OE2-CD2 3.26Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.39Å |
| 736 | C | 93.2 | Very high | 91.7 | Very high | 2 Ų | 2 | 21.4 Ų | 21.4 | 1% | 0.014 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.5 | -49.3 | 171 | -67.1 | 0 | 0 | 0 | 0 | 111 | E732 D733 A738 A739 K740 L778 M781 L943 | E732-C736 PolarHBondContact O-N 2.68Å; E732-C736 PolarHBondContact O-SG 3.28Å; D733-C736 WeakPolarHBondContact O-CB 3.4Å; D733-C736 PolarHBondContact O-N 3.5Å; D733-C736 VanDerWaalsContact O-N 3.1Å; C736-A738 VanDerWaalsContact C-N 3.31Å; C736-A738 PolarHBondContact O-N 3.04Å; C736-A739 PolarHBondContact O-N 2.94Å; C736-K740 WeakPolarHBondContact O-CB 3.35Å; C736-K740 PolarHBondContact O-N 3.31Å; C736-L778 WeakPolarHBondContact SG-CA 3.35Å; C736-M781 HydrophobicContact CB-CG 4.22Å; C736-L943 HydrophobicContact CB-CD1 3.8Å |
| 737 | H | 94.3 | Very high | 91.7 | Very high | 10 Ų | 10 | 21.4 Ų | 21.4 | 5% | 0.046 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -58 | -41.7 | 176.7 | -72.5 | 83.8 | 0 | 0 | 0 | 112.2 | F690 M694 D733 P734 K740 M741 Y946 | F690-H737 HydrophobicContact CD1-CB 4.27Å; F690-H737 HydrophobicContact CE1-CB 3.95Å; M694-H737 HydrophobicContact CG-CB 4.49Å; M694-H737 HydrophobicContact SD-CB 4.43Å; D733-H737 PolarHBondContact O-N 3.04Å; D733-H737 VanDerWaalsContact O-N 3.1Å; D733-H737 PolarHBondContact O-ND1 3.16Å; D733-H737 IonicContact OD1-CE1 2.66Å; D733-H737 PolarHBondContact OD1-CE1 3.48Å; D733-H737 IonicContact OD1-ND1 3.35Å; D733-H737 PolarHBondContact OD1-ND1 3.01Å; D733-H737 IonicContact OD2-CE1 3.84Å; D733-H737 IonicContact OD2-ND1 2.87Å; P734-H737 PolarHBondContact O-N 3.05Å; H737-K740 PolarHBondContact O-N 3.3Å; H737-M741 PolarHBondContact O-N 3.04Å; H737-Y946 AromaticContact CD2-CE2 3.75Å; H737-Y946 AromaticContact NE2-CE2 3.96Å |
| 738 | A | 95.8 | Very high | 91.7 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -67.1 | -40.7 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112 | F690 C722 V725 L726 P734 E735 C736 M741 L742 | F690-A738 HydrophobicContact CE1-CB 3.69Å; F690-A738 HydrophobicContact CZ-CB 3.9Å; C722-A738 HydrophobicContact CB-CB 4.21Å; V725-A738 HydrophobicContact CB-CB 3.95Å; V725-A738 HydrophobicContact CG1-CB 3.78Å; L726-A738 HydrophobicContact CD1-CB 4.25Å; L726-A738 HydrophobicContact CD2-CB 4.27Å; L726-A738 HydrophobicContact CG-CB 3.82Å; P734-A738 WeakPolarHBondContact O-CB 3.36Å; P734-A738 PolarHBondContact O-N 2.97Å; E735-A738 PolarHBondContact O-N 3.17Å; C736-A738 VanDerWaalsContact C-N 3.31Å; C736-A738 PolarHBondContact O-N 3.04Å; A738-M741 PolarHBondContact O-N 3.1Å; A738-L742 WeakPolarHBondContact O-CG 3.29Å; A738-L742 PolarHBondContact O-N 2.92Å |
| 739 | A | 95.1 | Very high | 91.9 | Very high | 0 Ų | 0 | 18.5 Ų | 18.5 | 0% | 0 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -63.6 | -44.2 | 173.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | L726 E735 C736 M741 L742 E743 M781 V785 | L726-A739 HydrophobicContact CD2-CB 4.44Å; E735-A739 PolarHBondContact O-N 2.92Å; C736-A739 PolarHBondContact O-N 2.94Å; A739-M741 VanDerWaalsContact C-N 3.35Å; A739-M741 PolarHBondContact O-N 3.24Å; A739-L742 PolarHBondContact O-N 2.94Å; A739-E743 PolarHBondContact O-N 2.9Å; A739-E743 VanDerWaalsContact O-N 3.1Å; A739-M781 HydrophobicContact CB-CB 3.93Å; A739-V785 HydrophobicContact CB-CG2 4.17Å; A739-V785 WeakPolarHBondContact O-CG2 3.39Å |
| 740 | K | 95 | Very high | 92.1 | Very high | 2 Ų | 2 | 15.8 Ų | 15.8 | 1% | 0.009 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 176.2 | -173.5 | 61.9 | 177.7 | -179.8 | 0 | 112.1 | M694 C736 H737 L742 E743 V744 M781 H832 L943 Y946 | M694-K740 HydrophobicContact CE-CB 4.28Å; M694-K740 HydrophobicContact CE-CG 4.23Å; C736-K740 WeakPolarHBondContact O-CB 3.35Å; C736-K740 PolarHBondContact O-N 3.31Å; H737-K740 PolarHBondContact O-N 3.3Å; K740-L742 VanDerWaalsContact C-N 3.34Å; K740-L742 PolarHBondContact O-N 2.87Å; K740-E743 WeakPolarHBondContact CD-OE2 3.32Å; K740-E743 IonicContact NZ-OE2 3.97Å; K740-E743 PolarHBondContact NZ-OE2 3.21Å; K740-E743 WeakPolarHBondContact O-CB 3.27Å; K740-E743 PolarHBondContact O-N 2.78Å; K740-E743 VanDerWaalsContact O-N 3.14Å; K740-V744 HydrophobicContact CG-CG2 4.44Å; K740-V744 VanDerWaalsContact O-CG2 3.29Å; K740-V744 WeakPolarHBondContact O-CG2 3.49Å; K740-V744 PolarHBondContact O-N 3.27Å; K740-M781 HydrophobicContact CD-SD 4.45Å; K740-H832 PolarHBondContact NZ-CD2 3.39Å; K740-H832 PolarHBondContact NZ-NE2 2.85Å; K740-L943 HydrophobicContact CB-CD2 4.33Å; K740-L943 HydrophobicContact CG-CD2 4.47Å; K740-Y946 HydrophobicContact CG-CD2 4.39Å |
| 741 | M | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -58.7 | -43.4 | 175.8 | -179.2 | 53.8 | 65.1 | 0 | 0 | 112.4 | M694 L697 H698 V701 I718 C722 H737 A738 A739 E743 V744 I745 | M694-M741 HydrophobicContact CE-CB 3.86Å; M694-M741 HydrophobicContact CE-CE 3.55Å; M694-M741 HydrophobicContact CG-CE 4.41Å; M694-M741 HydrophobicContact SD-CB 3.76Å; M694-M741 HydrophobicContact SD-CE 3.21Å; M694-M741 WeakPolarHBondContact SD-CE 3.48Å; M694-M741 HydrophobicContact SD-CG 4.39Å; L697-M741 HydrophobicContact CB-CE 3.56Å; H698-M741 HydrophobicContact CB-CE 4.13Å; V701-M741 HydrophobicContact CG2-SD 4.17Å; I718-M741 HydrophobicContact CG2-CG 3.91Å; I718-M741 HydrophobicContact CG2-SD 4.14Å; C722-M741 VanDerWaalsContact SG-CG 3.56Å; H737-M741 PolarHBondContact O-N 3.04Å; A738-M741 PolarHBondContact O-N 3.1Å; A739-M741 VanDerWaalsContact C-N 3.35Å; A739-M741 PolarHBondContact O-N 3.24Å; M741-E743 VanDerWaalsContact C-N 3.31Å; M741-E743 PolarHBondContact O-N 3.05Å; M741-V744 PolarHBondContact O-N 3.1Å; M741-I745 HydrophobicContact CG-CD1 4.15Å; M741-I745 VanDerWaalsContact O-CG1 3.28Å; M741-I745 WeakPolarHBondContact O-CG1 3.41Å; M741-I745 PolarHBondContact O-N 3.39Å; M741-I745 HydrophobicContact SD-CD1 4.17Å; M741-I745 HydrophobicContact SD-CG1 4.18Å |
| 742 | L | 96.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 22 Ų | 22 | 0% | 0 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -62.5 | -39.1 | 176.8 | -64.4 | -178.5 | 0 | 0 | 0 | 111.8 | Y719 C722 L726 A738 A739 K740 I746 F761 V785 | Y719-L742 HydrophobicContact CD2-CD2 3.99Å; C722-L742 HydrophobicContact CB-CD2 3.89Å; C722-L742 HydrophobicContact CB-CG 4.16Å; L726-L742 HydrophobicContact CD1-CD1 3.69Å; A738-L742 WeakPolarHBondContact O-CG 3.29Å; A738-L742 PolarHBondContact O-N 2.92Å; A739-L742 PolarHBondContact O-N 2.94Å; K740-L742 VanDerWaalsContact C-N 3.34Å; K740-L742 PolarHBondContact O-N 2.87Å; L742-I746 WeakPolarHBondContact O-CD1 3.47Å; L742-I746 VanDerWaalsContact O-CG1 3.25Å; L742-I746 WeakPolarHBondContact O-CG1 3.38Å; L742-I746 PolarHBondContact O-N 3.19Å; L742-F761 HydrophobicContact CB-CB 4.37Å; L742-F761 HydrophobicContact CB-CD2 4.43Å; L742-F761 HydrophobicContact CD1-CB 4.22Å; L742-F761 HydrophobicContact CD2-CB 4.29Å; L742-F761 HydrophobicContact CD2-CD1 3.86Å; L742-F761 HydrophobicContact CD2-CD2 4.08Å; L742-F761 HydrophobicContact CD2-CE1 4.17Å; L742-F761 HydrophobicContact CD2-CE2 4.37Å; L742-F761 HydrophobicContact CD2-CG 3.82Å; L742-F761 HydrophobicContact CD2-CZ 4.41Å; L742-V785 HydrophobicContact CB-CG1 4.12Å; L742-V785 HydrophobicContact CB-CG2 4.09Å |
| 743 | E | 95.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 23.2 Ų | 23.2 | 1% | 0.005 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -61.5 | -51.6 | 172.6 | 169.1 | 177.4 | -127.7 | 0 | 0 | 111.7 | A739 K740 M741 I745 I746 L747 Q784 A788 H832 | A739-E743 PolarHBondContact O-N 2.9Å; A739-E743 VanDerWaalsContact O-N 3.1Å; K740-E743 WeakPolarHBondContact CD-OE2 3.32Å; K740-E743 IonicContact NZ-OE2 3.97Å; K740-E743 PolarHBondContact NZ-OE2 3.21Å; K740-E743 WeakPolarHBondContact O-CB 3.27Å; K740-E743 PolarHBondContact O-N 2.78Å; K740-E743 VanDerWaalsContact O-N 3.14Å; M741-E743 VanDerWaalsContact C-N 3.31Å; M741-E743 PolarHBondContact O-N 3.05Å; E743-I745 VanDerWaalsContact C-N 3.26Å; E743-I745 PolarHBondContact O-N 3.36Å; E743-I746 WeakPolarHBondContact O-CB 3.35Å; E743-I746 PolarHBondContact O-N 3.11Å; E743-L747 HydrophobicContact CG-CD1 3.74Å; E743-L747 HydrophobicContact CG-CG 4.25Å; E743-L747 WeakPolarHBondContact O-CG 3.33Å; E743-L747 PolarHBondContact O-N 3.35Å; E743-Q784 PolarHBondContact OE2-OE1 3.35Å; E743-A788 HydrophobicContact CB-CB 4.48Å; E743-A788 HydrophobicContact CG-CB 3.9Å; E743-H832 IonicContact OE1-NE2 3Å; E743-H832 IonicContact OE2-NE2 2.84Å |
| 744 | V | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -52.7 | -47 | -180 | 171.6 | 0 | 0 | 0 | 0 | 110.3 | V701 T702 K740 M741 I746 L747 Q748 T948 | V701-V744 HydrophobicContact CG1-CG1 4.12Å; T702-V744 HydrophobicContact CG2-CG1 4.11Å; K740-V744 HydrophobicContact CG-CG2 4.44Å; K740-V744 VanDerWaalsContact O-CG2 3.29Å; K740-V744 WeakPolarHBondContact O-CG2 3.49Å; K740-V744 PolarHBondContact O-N 3.27Å; M741-V744 PolarHBondContact O-N 3.1Å; V744-I746 PolarHBondContact O-N 2.9Å; V744-L747 PolarHBondContact O-N 2.84Å; V744-Q748 WeakPolarHBondContact O-CB 3.18Å; V744-Q748 PolarHBondContact O-N 3.42Å; V744-T948 HydrophobicContact CG2-CG2 4Å |
| 745 | I | 94.6 | Very high | 91.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -61.6 | -43.7 | 178.6 | -63.7 | 168.2 | 0 | 0 | 0 | 111.4 | V701 L715 I718 M741 E743 L747 C749 F761 | V701-I745 HydrophobicContact CG1-CG1 3.96Å; V701-I745 HydrophobicContact CG2-CD1 4.47Å; V701-I745 HydrophobicContact CG2-CG1 3.88Å; L715-I745 HydrophobicContact CD1-CD1 4.25Å; L715-I745 HydrophobicContact CD1-CG2 3.79Å; I718-I745 HydrophobicContact CG2-CD1 3.85Å; M741-I745 HydrophobicContact CG-CD1 4.15Å; M741-I745 VanDerWaalsContact O-CG1 3.28Å; M741-I745 WeakPolarHBondContact O-CG1 3.41Å; M741-I745 PolarHBondContact O-N 3.39Å; M741-I745 HydrophobicContact SD-CD1 4.17Å; M741-I745 HydrophobicContact SD-CG1 4.18Å; E743-I745 VanDerWaalsContact C-N 3.26Å; E743-I745 PolarHBondContact O-N 3.36Å; I745-L747 VanDerWaalsContact C-N 3.35Å; I745-L747 PolarHBondContact O-N 3.08Å; I745-C749 WeakPolarHBondContact O-CB 3.38Å; I745-C749 PolarHBondContact O-N 3.38Å; I745-C749 PolarHBondContact O-SG 3.08Å; I745-F761 HydrophobicContact CB-CE2 4.13Å; I745-F761 HydrophobicContact CG2-CE2 3.71Å; I745-F761 HydrophobicContact CG2-CZ 4.24Å |
| 746 | I | 94.2 | Very high | 91.6 | Very high | 0 Ų | 0 | 31.1 Ų | 31.1 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.3 | -45.1 | 179.8 | -70.1 | 165.5 | 0 | 0 | 0 | 110.8 | L742 E743 V744 K750 F761 V785 A788 A789 Y792 | L742-I746 WeakPolarHBondContact O-CD1 3.47Å; L742-I746 VanDerWaalsContact O-CG1 3.25Å; L742-I746 WeakPolarHBondContact O-CG1 3.38Å; L742-I746 PolarHBondContact O-N 3.19Å; E743-I746 WeakPolarHBondContact O-CB 3.35Å; E743-I746 PolarHBondContact O-N 3.11Å; V744-I746 PolarHBondContact O-N 2.9Å; I746-K750 PolarHBondContact O-N 3.21Å; I746-F761 HydrophobicContact CD1-CB 4.37Å; I746-F761 HydrophobicContact CD1-CD2 4.12Å; I746-F761 HydrophobicContact CG1-CD2 3.87Å; I746-F761 HydrophobicContact CG1-CE2 4.49Å; I746-V785 HydrophobicContact CD1-CG1 3.94Å; I746-A788 HydrophobicContact CB-CB 4.46Å; I746-A788 HydrophobicContact CG2-CB 4.1Å; I746-A789 HydrophobicContact CD1-CB 4.4Å; I746-Y792 HydrophobicContact CG2-CD2 4.27Å; I746-Y792 HydrophobicContact CG2-CG 4.21Å; I746-Y792 WeakPolarHBondContact O-CD2 3.26Å |
| 747 | L | 92.2 | Very high | 91.4 | Very high | 1 Ų | 1 | 32.7 Ų | 32.7 | 1% | 0.005 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -72.7 | -49.3 | -177 | -63.7 | 178.7 | 0 | 0 | 0 | 111.5 | E743 V744 I745 C749 K750 A788 Y791 M836 T948 S949 V950 | E743-L747 HydrophobicContact CG-CD1 3.74Å; E743-L747 HydrophobicContact CG-CG 4.25Å; E743-L747 WeakPolarHBondContact O-CG 3.33Å; E743-L747 PolarHBondContact O-N 3.35Å; V744-L747 PolarHBondContact O-N 2.84Å; I745-L747 VanDerWaalsContact C-N 3.35Å; I745-L747 PolarHBondContact O-N 3.08Å; L747-C749 VanDerWaalsContact C-N 3.31Å; L747-C749 PolarHBondContact O-N 3.19Å; L747-K750 WeakPolarHBondContact O-CB 3.14Å; L747-K750 PolarHBondContact O-N 3.35Å; L747-K750 VanDerWaalsContact O-N 3.12Å; L747-A788 HydrophobicContact CD2-CB 3.94Å; L747-A788 HydrophobicContact CG-CB 4.12Å; L747-Y791 HydrophobicContact CD2-CD1 3.93Å; L747-M836 HydrophobicContact CD1-CE 3.91Å; L747-M836 HydrophobicContact CD1-SD 3.85Å; L747-M836 HydrophobicContact CD2-CE 3.75Å; L747-M836 HydrophobicContact CD2-SD 4.32Å; L747-M836 HydrophobicContact CG-CE 4.42Å; L747-T948 HydrophobicContact CD1-CG2 4.04Å; L747-S949 PolarHBondContact O-OG 3.09Å; L747-V950 HydrophobicContact CD1-CG2 4.19Å; L747-V950 HydrophobicContact CD2-CG2 4.2Å |
| 748 | Q | 91.2 | Very high | 91.3 | Very high | 35 Ų | 35 | 32.3 Ų | 32.3 | 16% | 0.164 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -37.1 | -178.5 | -172.5 | 64.8 | 4.8 | 0 | 0 | 112.5 | V701 T702 T705 V744 K750 | V701-Q748 HydrophobicContact CG1-CB 4.13Å; V701-Q748 HydrophobicContact CG1-CG 4.16Å; T702-Q748 PolarHBondContact O-NE2 3.23Å; T705-Q748 HydrophobicContact CG2-CG 4.32Å; T705-Q748 PolarHBondContact OG1-NE2 2.88Å; V744-Q748 WeakPolarHBondContact O-CB 3.18Å; V744-Q748 PolarHBondContact O-N 3.42Å; Q748-K750 VanDerWaalsContact C-N 3.29Å; Q748-K750 PolarHBondContact O-N 2.99Å |
| 749 | C | 89.2 | Confident | 91.2 | Very high | 0 Ų | 0 | 34.1 Ų | 34.1 | 0% | 0 | 20% | 0.196 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | 14.1 | 179.7 | -62.1 | 0 | 0 | 0 | 0 | 113.5 | I745 L747 G751 R752 I754 | I745-C749 WeakPolarHBondContact O-CB 3.38Å; I745-C749 PolarHBondContact O-N 3.38Å; I745-C749 PolarHBondContact O-SG 3.08Å; L747-C749 VanDerWaalsContact C-N 3.31Å; L747-C749 PolarHBondContact O-N 3.19Å; C749-G751 PolarHBondContact O-N 3.48Å; C749-G751 VanDerWaalsContact O-N 3.16Å; C749-R752 WeakPolarHBondContact O-CB 3.27Å; C749-R752 PolarHBondContact O-N 3.2Å; C749-I754 HydrophobicContact CB-CB 4.47Å; C749-I754 HydrophobicContact CB-CD1 3.57Å; C749-I754 HydrophobicContact CB-CG1 3.88Å; C749-I754 HydrophobicContact CB-CG2 3.79Å |
| 750 | K | 87.3 | Confident | 91.1 | Very high | 84 Ų | 84 | 38.4 Ų | 38.4 | 37% | 0.365 | 22% | 0.219 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -55.7 | 120.6 | -178.8 | -173.8 | 168.7 | 172.6 | 172.5 | 0 | 112 | I746 L747 Q748 R752 Y791 Y792 | I746-K750 PolarHBondContact O-N 3.21Å; L747-K750 WeakPolarHBondContact O-CB 3.14Å; L747-K750 PolarHBondContact O-N 3.35Å; L747-K750 VanDerWaalsContact O-N 3.12Å; Q748-K750 VanDerWaalsContact C-N 3.29Å; Q748-K750 PolarHBondContact O-N 2.99Å; K750-R752 VanDerWaalsContact C-N 3.3Å; K750-R752 PolarHBondContact O-N 3.4Å; K750-Y791 HydrophobicContact CD-CD1 4.28Å; K750-Y791 HydrophobicContact CD-CE1 4.07Å; K750-Y791 WeakPolarHBondContact CE-O 3.44Å; K750-Y791 VanDerWaalsContact NZ-CD1 3.31Å; K750-Y791 PolarHBondContact NZ-O 3.12Å; K750-Y792 HydrophobicContact CB-CD2 4.02Å; K750-Y792 HydrophobicContact CB-CE2 4.41Å; K750-Y792 HydrophobicContact CG-CD2 3.96Å; K750-Y792 HydrophobicContact CG-CE2 4.49Å |
| 751 | G | 82.6 | Confident | 91 | Very high | 73 Ų | 73 | 38.3 Ų | 38.3 | 75% | 0.753 | 22% | 0.219 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 76.8 | 7.2 | -178.7 | 0 | 0 | 0 | 0 | 0 | 115.5 | C749 | C749-G751 PolarHBondContact O-N 3.48Å; C749-G751 VanDerWaalsContact O-N 3.16Å |
| 752 | R | 85.5 | Confident | 90.9 | Very high | 121 Ų | 121 | 38.4 Ų | 38.4 | 46% | 0.457 | 22% | 0.219 | S | C | . | . | S | Bend | trans | -100.5 | 10.2 | -179.9 | -54.9 | -167.1 | -174.2 | -146.6 | 7.7 | 114.7 | D706 L709 C749 K750 | D706-R752 IonicContact OD1-NH1 2.98Å; D706-R752 PolarHBondContact OD1-NH1 3.5Å; L709-R752 HydrophobicContact CD1-CB 3.62Å; L709-R752 HydrophobicContact CD1-CG 4.43Å; C749-R752 WeakPolarHBondContact O-CB 3.27Å; C749-R752 PolarHBondContact O-N 3.2Å; K750-R752 VanDerWaalsContact C-N 3.3Å; K750-R752 PolarHBondContact O-N 3.4Å |
| 753 | G | 82.1 | Confident | 90.7 | Very high | 57 Ų | 57 | 39.1 Ų | 39.1 | 59% | 0.588 | 23% | 0.226 | S | C | * | . | S | Bend | trans | 92.8 | 29.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.5 | D755 | G753-D755 VanDerWaalsContact C-N 3.35Š|
| 754 | I | 88.6 | Confident | 90.6 | Very high | 9 Ų | 9 | 39.3 Ų | 39.3 | 5% | 0.046 | 23% | 0.228 | C | C | . | . | trans | -90.6 | 15 | 179.1 | 59.7 | 154.9 | 0 | 0 | 0 | 114.3 | L709 L715 C749 Q756 V757 V758 Y792 | L709-I754 HydrophobicContact CD2-CG2 3.66Å; L715-I754 HydrophobicContact CD2-CG2 4.48Å; C749-I754 HydrophobicContact CB-CB 4.47Å; C749-I754 HydrophobicContact CB-CD1 3.57Å; C749-I754 HydrophobicContact CB-CG1 3.88Å; C749-I754 HydrophobicContact CB-CG2 3.79Å; I754-Q756 PolarHBondContact O-N 2.91Å; I754-V757 HydrophobicContact CB-CG2 3.82Å; I754-V757 WeakPolarHBondContact O-CG2 3.33Å; I754-V757 PolarHBondContact O-N 3.09Å; I754-V758 HydrophobicContact CD1-CG2 3.91Å; I754-V758 HydrophobicContact CG1-CG2 4.14Å; I754-V758 PolarHBondContact O-N 2.95Å; I754-Y792 HydrophobicContact CD1-CE2 4.12Å; I754-Y792 HydrophobicContact CG1-CE2 3.78Å | ||
| 755 | D | 90 | Very high | 90.5 | Very high | 84 Ų | 84 | 39.4 Ų | 39.4 | 45% | 0.449 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -53.3 | -26.4 | -173.2 | -63.3 | -5.6 | 0 | 0 | 0 | 114.7 | G753 P759 Y792 L796 | G753-D755 VanDerWaalsContact C-N 3.35Å; D755-P759 WeakPolarHBondContact O-CD 3.29Å; D755-Y792 VanDerWaalsContact OD1-CE1 3.24Å; D755-Y792 WeakPolarHBondContact OD1-CE1 3.22Å; D755-Y792 VanDerWaalsContact OD1-CZ 3.3Å; D755-Y792 PolarHBondContact OD1-OH 3.34Å; D755-L796 HydrophobicContact CB-CD2 4.14Å |
| 756 | Q | 89.3 | Confident | 90.3 | Very high | 175 Ų | 175 | 39.6 Ų | 39.6 | 82% | 0.818 | 23% | 0.229 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -77.2 | -27.3 | -178 | -61.1 | 178.4 | 34.4 | 0 | 0 | 113.1 | I754 | I754-Q756 PolarHBondContact O-N 2.91Š|
| 757 | V | 90.1 | Very high | 90 | Very high | 35 Ų | 35 | 44.5 Ų | 44.5 | 21% | 0.212 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.4 | -26.2 | -176.7 | -62 | 0 | 0 | 0 | 0 | 112.7 | L715 I754 P759 L760 F761 | L715-V757 HydrophobicContact CD2-CG1 4.31Å; L715-V757 HydrophobicContact CD2-CG2 4.06Å; I754-V757 HydrophobicContact CB-CG2 3.82Å; I754-V757 WeakPolarHBondContact O-CG2 3.33Å; I754-V757 PolarHBondContact O-N 3.09Å; V757-P759 VanDerWaalsContact C-CD 3.49Å; V757-P759 VanDerWaalsContact C-N 3.32Å; V757-L760 WeakPolarHBondContact O-CA 3.37Å; V757-L760 VanDerWaalsContact O-CB 3.28Å; V757-L760 WeakPolarHBondContact O-CB 3.46Å; V757-L760 PolarHBondContact O-N 3.01Å; V757-F761 HydrophobicContact CB-CE1 3.97Å; V757-F761 HydrophobicContact CB-CZ 4.03Å; V757-F761 HydrophobicContact CG2-CE1 4.32Å; V757-F761 HydrophobicContact CG2-CE2 4.18Å; V757-F761 HydrophobicContact CG2-CZ 3.86Å; V757-F761 WeakPolarHBondContact O-CD1 3.15Å; V757-F761 PolarHBondContact O-N 3.4Å; V757-F761 VanDerWaalsContact O-N 3.12Å |
| 758 | V | 91.6 | Very high | 89.9 | Confident | 2 Ų | 2 | 44.9 Ų | 44.9 | 1% | 0.012 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -51.9 | -43.9 | 178.1 | 175.8 | 0 | 0 | 0 | 0 | 112.4 | I754 L760 F761 V762 A789 Y792 L796 | I754-V758 HydrophobicContact CD1-CG2 3.91Å; I754-V758 HydrophobicContact CG1-CG2 4.14Å; I754-V758 PolarHBondContact O-N 2.95Å; V758-L760 VanDerWaalsContact C-N 3.26Å; V758-L760 PolarHBondContact O-N 2.91Å; V758-F761 PolarHBondContact O-N 2.99Å; V758-V762 HydrophobicContact CG1-CG2 4.38Å; V758-V762 WeakPolarHBondContact O-CG2 3.42Å; V758-V762 PolarHBondContact O-N 3.45Å; V758-V762 VanDerWaalsContact O-N 3.07Å; V758-A789 HydrophobicContact CG1-CB 3.78Å; V758-Y792 HydrophobicContact CG2-CD1 4.36Å; V758-Y792 HydrophobicContact CG2-CE1 4.23Å; V758-L796 HydrophobicContact CB-CD2 4Å; V758-L796 HydrophobicContact CG1-CD2 4.13Å; V758-L796 HydrophobicContact CG2-CD2 4.46Å |
| 759 | P | 93.1 | Very high | 89.7 | Confident | 37 Ų | 37 | 44.8 Ų | 44.8 | 24% | 0.24 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -62 | -31 | 176.1 | -24.8 | 35.7 | 0 | 0 | 0 | 114.3 | D755 V757 G763 L796 T800 | D755-P759 WeakPolarHBondContact O-CD 3.29Å; V757-P759 VanDerWaalsContact C-CD 3.49Å; V757-P759 VanDerWaalsContact C-N 3.32Å; P759-G763 PolarHBondContact O-N 3.25Å; P759-L796 HydrophobicContact CG-CD1 4.21Å; P759-T800 HydrophobicContact CB-CG2 3.86Å |
| 760 | L | 93.1 | Very high | 89.4 | Confident | 90 Ų | 90 | 48 Ų | 48 | 47% | 0.471 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -71 | -41.7 | 177.5 | -58.5 | 175.4 | 0 | 0 | 0 | 110.7 | Y719 V757 V758 G763 T764 | Y719-L760 HydrophobicContact CE1-CB 4.32Å; Y719-L760 HydrophobicContact CE1-CD1 4.43Å; Y719-L760 HydrophobicContact CE2-CB 4.41Å; V757-L760 WeakPolarHBondContact O-CA 3.37Å; V757-L760 VanDerWaalsContact O-CB 3.28Å; V757-L760 WeakPolarHBondContact O-CB 3.46Å; V757-L760 PolarHBondContact O-N 3.01Å; V758-L760 VanDerWaalsContact C-N 3.26Å; V758-L760 PolarHBondContact O-N 2.91Å; L760-G763 PolarHBondContact O-N 3.36Å; L760-T764 PolarHBondContact O-N 3.21Å; L760-T764 PolarHBondContact O-OG1 2.93Å |
| 761 | F | 94.6 | Very high | 89.3 | Confident | 1 Ų | 1 | 48 Ų | 48 | 0% | 0.004 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -64.3 | -49.8 | 179.3 | -62.8 | -0.8 | 0 | 0 | 0 | 110.8 | L715 Y719 L742 I745 I746 V757 V758 G763 T764 A765 V785 | L715-F761 HydrophobicContact CD1-CZ 4.3Å; Y719-F761 AromaticContact CD2-CD1 3.34Å; Y719-F761 HydrophobicContact CD2-CD1 3.34Å; Y719-F761 AromaticContact CD2-CE1 3.28Å; Y719-F761 HydrophobicContact CD2-CE1 3.28Å; Y719-F761 HydrophobicContact CD2-CZ 4.43Å; Y719-F761 AromaticContact CE2-CD1 3.56Å; Y719-F761 HydrophobicContact CE2-CD1 3.56Å; Y719-F761 AromaticContact CE2-CE1 3.95Å; Y719-F761 HydrophobicContact CE2-CE1 3.95Å; Y719-F761 HydrophobicContact CG-CD1 4.13Å; Y719-F761 AromaticContact CG-CE1 3.62Å; Y719-F761 HydrophobicContact CG-CE1 3.62Å; L742-F761 HydrophobicContact CB-CB 4.37Å; L742-F761 HydrophobicContact CB-CD2 4.43Å; L742-F761 HydrophobicContact CD1-CB 4.22Å; L742-F761 HydrophobicContact CD2-CB 4.29Å; L742-F761 HydrophobicContact CD2-CD1 3.86Å; L742-F761 HydrophobicContact CD2-CD2 4.08Å; L742-F761 HydrophobicContact CD2-CE1 4.17Å; L742-F761 HydrophobicContact CD2-CE2 4.37Å; L742-F761 HydrophobicContact CD2-CG 3.82Å; L742-F761 HydrophobicContact CD2-CZ 4.41Å; I745-F761 HydrophobicContact CB-CE2 4.13Å; I745-F761 HydrophobicContact CG2-CE2 3.71Å; I745-F761 HydrophobicContact CG2-CZ 4.24Å; I746-F761 HydrophobicContact CD1-CB 4.37Å; I746-F761 HydrophobicContact CD1-CD2 4.12Å; I746-F761 HydrophobicContact CG1-CD2 3.87Å; I746-F761 HydrophobicContact CG1-CE2 4.49Å; V757-F761 HydrophobicContact CB-CE1 3.97Å; V757-F761 HydrophobicContact CB-CZ 4.03Å; V757-F761 HydrophobicContact CG2-CE1 4.32Å; V757-F761 HydrophobicContact CG2-CE2 4.18Å; V757-F761 HydrophobicContact CG2-CZ 3.86Å; V757-F761 WeakPolarHBondContact O-CD1 3.15Å; V757-F761 PolarHBondContact O-N 3.4Å; V757-F761 VanDerWaalsContact O-N 3.12Å; V758-F761 PolarHBondContact O-N 2.99Å; F761-G763 VanDerWaalsContact C-N 3.31Å; F761-G763 PolarHBondContact O-N 3.1Å; F761-T764 PolarHBondContact O-N 2.9Å; F761-A765 PolarHBondContact O-N 3.15Å; F761-V785 HydrophobicContact CB-CG1 4.35Å |
| 762 | V | 93.7 | Very high | 89.2 | Confident | 1 Ų | 1 | 52.3 Ų | 52.3 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -59.2 | -43.6 | 175.3 | 174.3 | 0 | 0 | 0 | 0 | 111 | V758 T764 L766 A786 A789 L797 T800 L801 L804 | V758-V762 HydrophobicContact CG1-CG2 4.38Å; V758-V762 WeakPolarHBondContact O-CG2 3.42Å; V758-V762 PolarHBondContact O-N 3.45Å; V758-V762 VanDerWaalsContact O-N 3.07Å; V762-T764 PolarHBondContact O-N 3.27Å; V762-L766 HydrophobicContact CG1-CD1 3.7Å; V762-L766 HydrophobicContact CG1-CG 4.21Å; V762-L766 WeakPolarHBondContact O-CB 3.39Å; V762-L766 VanDerWaalsContact O-CG 3.28Å; V762-L766 WeakPolarHBondContact O-CG 3.37Å; V762-L766 PolarHBondContact O-N 3.47Å; V762-A786 HydrophobicContact CG1-CB 4.46Å; V762-A789 HydrophobicContact CG2-CB 3.58Å; V762-L797 HydrophobicContact CG1-CD1 3.89Å; V762-L797 HydrophobicContact CG2-CD1 4.04Å; V762-T800 HydrophobicContact CB-CG2 4.39Å; V762-T800 HydrophobicContact CG1-CG2 4.24Å; V762-L801 HydrophobicContact CG1-CD2 4.37Å; V762-L804 HydrophobicContact CG1-CD1 4.32Å |
| 763 | G | 91.8 | Very high | 89.1 | Confident | 15 Ų | 15 | 47.8 Ų | 47.8 | 16% | 0.155 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -46.9 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | P759 L760 F761 E767 | P759-G763 PolarHBondContact O-N 3.25Å; L760-G763 PolarHBondContact O-N 3.36Å; F761-G763 VanDerWaalsContact C-N 3.31Å; F761-G763 PolarHBondContact O-N 3.1Å; G763-E767 VanDerWaalsContact O-CB 3.26Å; G763-E767 WeakPolarHBondContact O-CB 3.33Å; G763-E767 PolarHBondContact O-N 2.92Å |
| 764 | T | 93 | Very high | 88.9 | Confident | 6 Ų | 6 | 53.2 Ų | 53.2 | 4% | 0.037 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -66.3 | -46.7 | 179.9 | -58.8 | 0 | 0 | 0 | 0 | 112.4 | Y719 K723 L726 L760 F761 V762 L766 E767 R768 | Y719-T764 PolarHBondContact OH-OG1 3.48Å; K723-T764 HydrophobicContact CB-CG2 4.33Å; K723-T764 HydrophobicContact CG-CG2 4.07Å; L726-T764 HydrophobicContact CB-CG2 3.85Å; L726-T764 HydrophobicContact CD1-CG2 3.88Å; L760-T764 PolarHBondContact O-N 3.21Å; L760-T764 PolarHBondContact O-OG1 2.93Å; F761-T764 PolarHBondContact O-N 2.9Å; V762-T764 PolarHBondContact O-N 3.27Å; T764-L766 PolarHBondContact O-N 3.01Å; T764-E767 PolarHBondContact O-N 3.4Å; T764-R768 PolarHBondContact O-N 2.85Å |
| 765 | A | 93.1 | Very high | 88.7 | Confident | 1 Ų | 1 | 55.4 Ų | 55.4 | 1% | 0.008 | 28% | 0.279 | C | S | . | . | H | α-helix | trans | -64.2 | -41.5 | 179.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | F761 R768 V785 | F761-A765 PolarHBondContact O-N 3.15Å; A765-R768 WeakPolarHBondContact O-CB 3.32Å; A765-R768 PolarHBondContact O-N 2.95Å; A765-V785 HydrophobicContact CB-CB 3.82Å; A765-V785 HydrophobicContact CB-CG1 3.94Å; A765-V785 HydrophobicContact CB-CG2 3.97Å |
| 766 | L | 90.4 | Very high | 88.5 | Confident | 4 Ų | 4 | 54 Ų | 54 | 2% | 0.021 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -73 | -32.2 | 177.9 | -65.1 | -178.2 | 0 | 0 | 0 | 112.6 | V762 T764 R768 L769 A786 L801 F806 I813 F817 | V762-L766 HydrophobicContact CG1-CD1 3.7Å; V762-L766 HydrophobicContact CG1-CG 4.21Å; V762-L766 WeakPolarHBondContact O-CB 3.39Å; V762-L766 VanDerWaalsContact O-CG 3.28Å; V762-L766 WeakPolarHBondContact O-CG 3.37Å; V762-L766 PolarHBondContact O-N 3.47Å; T764-L766 PolarHBondContact O-N 3.01Å; L766-R768 VanDerWaalsContact C-N 3.27Å; L766-R768 PolarHBondContact O-N 3.13Å; L766-L769 HydrophobicContact CD2-CD1 3.96Å; L766-L769 WeakPolarHBondContact O-CB 3.19Å; L766-L769 PolarHBondContact O-N 3.26Å; L766-A786 HydrophobicContact CD2-CB 4.42Å; L766-L801 HydrophobicContact CD1-CD2 3.55Å; L766-F806 HydrophobicContact CB-CE1 4.21Å; L766-F806 HydrophobicContact CB-CZ 4.18Å; L766-F806 WeakPolarHBondContact O-CE1 3.28Å; L766-I813 HydrophobicContact CD1-CG2 4.25Å; L766-F817 HydrophobicContact CD2-CD2 4.22Å |
| 767 | E | 88.6 | Confident | 88.4 | Confident | 103 Ų | 103 | 49 Ų | 49 | 48% | 0.481 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -62 | -36.2 | 173.6 | -174.7 | 170.7 | -164.5 | 0 | 0 | 111.3 | G763 T764 L769 T770 | G763-E767 VanDerWaalsContact O-CB 3.26Å; G763-E767 WeakPolarHBondContact O-CB 3.33Å; G763-E767 PolarHBondContact O-N 2.92Å; T764-E767 PolarHBondContact O-N 3.4Å; E767-L769 VanDerWaalsContact C-N 3.26Å; E767-L769 PolarHBondContact O-N 2.87Å; E767-T770 WeakPolarHBondContact O-CB 3.43Å; E767-T770 PolarHBondContact O-N 3.42Å; E767-T770 PolarHBondContact O-OG1 3.34Å |
| 768 | R | 89.8 | Confident | 88.3 | Confident | 10 Ų | 10 | 47.3 Ų | 47.3 | 4% | 0.038 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -56.5 | -39.4 | 173.9 | 173.9 | 61.2 | -172.1 | 87.8 | -6.6 | 112.9 | L726 E732 E735 T764 A765 L766 T770 R771 E772 L778 | L726-R768 HydrophobicContact CD2-CB 4.44Å; L726-R768 HydrophobicContact CD2-CG 4.34Å; E732-R768 IonicContact OE1-NH2 2.98Å; E735-R768 WeakPolarHBondContact OE1-CD 3.39Å; E735-R768 IonicContact OE1-CZ 3.66Å; E735-R768 IonicContact OE1-NE 2.92Å; E735-R768 PolarHBondContact OE1-NE 3.37Å; E735-R768 IonicContact OE1-NH2 3.48Å; E735-R768 IonicContact OE2-CZ 3.91Å; E735-R768 IonicContact OE2-NE 3.71Å; E735-R768 PolarHBondContact OE2-NE 3.19Å; E735-R768 IonicContact OE2-NH2 2.76Å; E735-R768 PolarHBondContact OE2-NH2 3.44Å; T764-R768 PolarHBondContact O-N 2.85Å; A765-R768 WeakPolarHBondContact O-CB 3.32Å; A765-R768 PolarHBondContact O-N 2.95Å; L766-R768 VanDerWaalsContact C-N 3.27Å; L766-R768 PolarHBondContact O-N 3.13Å; R768-T770 PolarHBondContact O-N 3.24Å; R768-T770 VanDerWaalsContact O-N 3.15Å; R768-R771 PolarHBondContact O-N 2.98Å; R768-R771 VanDerWaalsContact O-N 3.12Å; R768-E772 PolarHBondContact NH1-O 3.07Å; R768-E772 PolarHBondContact NH2-O 3.05Å; R768-L778 VanDerWaalsContact NH2-CD2 3.27Å |
| 769 | L | 86.9 | Confident | 88.3 | Confident | 32 Ų | 32 | 50.2 Ų | 50.2 | 17% | 0.168 | 25% | 0.253 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -10.8 | 179.1 | -64.6 | 178.6 | 0 | 0 | 0 | 113.9 | L766 E767 R771 V773 R779 C782 L783 | L766-L769 HydrophobicContact CD2-CD1 3.96Å; L766-L769 WeakPolarHBondContact O-CB 3.19Å; L766-L769 PolarHBondContact O-N 3.26Å; E767-L769 VanDerWaalsContact C-N 3.26Å; E767-L769 PolarHBondContact O-N 2.87Å; L769-R771 VanDerWaalsContact C-N 3.3Å; L769-V773 HydrophobicContact CD2-CG2 4.39Å; L769-R779 HydrophobicContact CD2-CB 4.43Å; L769-R779 HydrophobicContact CD2-CG 3.9Å; L769-C782 HydrophobicContact CD1-CB 4.04Å; L769-C782 HydrophobicContact CD2-CB 3.66Å; L769-C782 HydrophobicContact CG-CB 3.75Å; L769-L783 HydrophobicContact CD1-CD2 3.93Å; L769-L783 HydrophobicContact CD1-CG 4.24Å |
| 770 | T | 83.4 | Confident | 88.2 | Confident | 68 Ų | 68 | 48.6 Ų | 48.6 | 42% | 0.417 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.4 | -16.4 | 174.2 | 69.2 | 0 | 0 | 0 | 0 | 113.4 | E767 R768 F806 | E767-T770 WeakPolarHBondContact O-CB 3.43Å; E767-T770 PolarHBondContact O-N 3.42Å; E767-T770 PolarHBondContact O-OG1 3.34Å; R768-T770 PolarHBondContact O-N 3.24Å; R768-T770 VanDerWaalsContact O-N 3.15Å; T770-F806 HydrophobicContact CG2-CB 4.31Å; T770-F806 HydrophobicContact CG2-CD1 3.13Å; T770-F806 HydrophobicContact CG2-CD2 4.42Å; T770-F806 HydrophobicContact CG2-CE1 3.32Å; T770-F806 HydrophobicContact CG2-CG 3.74Å; T770-F806 HydrophobicContact CG2-CZ 4.06Å |
| 771 | R | 84.3 | Confident | 88.1 | Confident | 83 Ų | 83 | 44.4 Ų | 44.4 | 31% | 0.313 | 22% | 0.22 | S | C | . | . | S | Bend | trans | -90.3 | 167.1 | 175.8 | -55.9 | -173.2 | -72 | 151.7 | -0.9 | 109.1 | L726 G728 E735 R768 L769 V773 | L726-R771 VanDerWaalsContact C-NH2 3.3Å; L726-R771 PolarHBondContact O-NH2 2.98Å; G728-R771 PolarHBondContact O-NH1 2.66Å; G728-R771 PolarHBondContact O-NH2 3.07Å; E735-R771 IonicContact OE1-CZ 2.9Å; E735-R771 IonicContact OE1-NH2 2.77Å; E735-R771 PolarHBondContact OE1-NH2 2.9Å; R768-R771 PolarHBondContact O-N 2.98Å; R768-R771 VanDerWaalsContact O-N 3.12Å; L769-R771 VanDerWaalsContact C-N 3.3Å; R771-V773 PolarHBondContact O-N 3.49Å |
| 772 | E | 80.3 | Confident | 88.1 | Confident | 165 Ų | 165 | 44.3 Ų | 44.3 | 77% | 0.771 | 22% | 0.22 | S | C | * | . | trans | -59.9 | 137.4 | 174.6 | -168 | 170.3 | -179.1 | 0 | 0 | 109.9 | R768 | R768-E772 PolarHBondContact NH1-O 3.07Å; R768-E772 PolarHBondContact NH2-O 3.05Å | ||
| 773 | V | 82.5 | Confident | 88 | Confident | 25 Ų | 25 | 44.3 Ų | 44.3 | 15% | 0.152 | 22% | 0.22 | C | C | . | . | trans | -131.7 | 115.5 | 179.3 | 178.7 | 0 | 0 | 0 | 0 | 106.3 | L769 R771 T775 L778 R779 | L769-V773 HydrophobicContact CD2-CG2 4.39Å; R771-V773 PolarHBondContact O-N 3.49Å; V773-T775 WeakPolarHBondContact CG1-O 3.48Å; V773-L778 HydrophobicContact CG1-CB 4.12Å; V773-L778 HydrophobicContact CG1-CD2 4.24Å; V773-L778 HydrophobicContact CG1-CG 4.27Å; V773-R779 HydrophobicContact CG1-CB 4.12Å | ||
| 774 | K | 79.3 | Confident | 88.1 | Confident | 172 Ų | 172 | 43.7 Ų | 43.7 | 75% | 0.748 | 21% | 0.213 | S | C | * | . | trans | -83.4 | -47 | -176.4 | -59.4 | 176.7 | -179.2 | 174.6 | 0 | 110.6 | E732 | E732-K774 WeakPolarHBondContact OE1-CB 3.44Å; E732-K774 PolarHBondContact OE1-N 2.84Å | ||
| 775 | T | 83.7 | Confident | 88.2 | Confident | 54 Ų | 54 | 43.4 Ų | 43.4 | 33% | 0.331 | 21% | 0.211 | S | C | . | . | trans | -87.9 | 147.3 | -178.7 | 58.4 | 0 | 0 | 0 | 0 | 113.1 | E732 V773 E777 L778 | E732-T775 WeakPolarHBondContact OE2-CB 3.42Å; E732-T775 WeakPolarHBondContact OE2-CG2 3.18Å; E732-T775 PolarHBondContact OE2-N 3Å; E732-T775 PolarHBondContact OE2-OG1 2.99Å; V773-T775 WeakPolarHBondContact CG1-O 3.48Å; T775-E777 VanDerWaalsContact C-N 3.31Å; T775-L778 WeakPolarHBondContact OG1-CB 3.48Å; T775-L778 PolarHBondContact OG1-N 3.32Å | ||
| 776 | S | 85.3 | Confident | 88.3 | Confident | 56 Ų | 56 | 43.4 Ų | 43.4 | 39% | 0.392 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.8 | -33.2 | 168.9 | 49.3 | 0 | 0 | 0 | 0 | 111.6 | R779 T780 | S776-R779 VanDerWaalsContact O-CB 3.29Å; S776-R779 WeakPolarHBondContact O-CB 3.35Å; S776-R779 PolarHBondContact O-N 3Å; S776-T780 WeakPolarHBondContact O-CG2 3.49Å; S776-T780 PolarHBondContact O-N 3.46Å; S776-T780 PolarHBondContact O-OG1 3.07Å |
| 777 | E | 87.1 | Confident | 88.4 | Confident | 68 Ų | 68 | 43.2 Ų | 43.2 | 32% | 0.318 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.5 | -50.3 | -179.6 | -172 | 178.3 | -160.1 | 0 | 0 | 113.1 | T775 R779 T780 M781 | T775-E777 VanDerWaalsContact C-N 3.31Å; E777-R779 PolarHBondContact O-N 3.32Å; E777-T780 WeakPolarHBondContact CA-OG1 3.43Å; E777-T780 PolarHBondContact O-N 3.48Å; E777-T780 VanDerWaalsContact O-N 3.14Å; E777-T780 PolarHBondContact O-OG1 3.43Å; E777-M781 HydrophobicContact CG-CG 4.44Å; E777-M781 VanDerWaalsContact O-CG 3.3Å; E777-M781 WeakPolarHBondContact O-CG 3.44Å; E777-M781 PolarHBondContact O-N 2.98Å |
| 778 | L | 89.4 | Confident | 88.7 | Confident | 0 Ų | 0 | 38.3 Ų | 38.3 | 0% | 0 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -59.8 | -35.5 | 177.1 | 176.6 | 58.6 | 0 | 0 | 0 | 111.9 | E732 E735 C736 R768 V773 T775 C782 | E732-L778 HydrophobicContact CB-CB 4.48Å; E732-L778 HydrophobicContact CB-CD2 3.94Å; E732-L778 HydrophobicContact CG-CD2 3.82Å; E735-L778 HydrophobicContact CB-CD1 3.61Å; E735-L778 HydrophobicContact CB-CD2 4.22Å; E735-L778 VanDerWaalsContact OE2-CD2 3.26Å; E735-L778 WeakPolarHBondContact OE2-CD2 3.39Å; C736-L778 WeakPolarHBondContact SG-CA 3.35Å; R768-L778 VanDerWaalsContact NH2-CD2 3.27Å; V773-L778 HydrophobicContact CG1-CB 4.12Å; V773-L778 HydrophobicContact CG1-CD2 4.24Å; V773-L778 HydrophobicContact CG1-CG 4.27Å; T775-L778 WeakPolarHBondContact OG1-CB 3.48Å; T775-L778 PolarHBondContact OG1-N 3.32Å; L778-C782 WeakPolarHBondContact O-CB 3.5Å; L778-C782 PolarHBondContact O-N 3.19Å; L778-C782 PolarHBondContact O-SG 3.29Å |
| 779 | R | 90.3 | Very high | 88.9 | Confident | 64 Ų | 64 | 37.9 Ų | 37.9 | 24% | 0.242 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.9 | -47.5 | 177.6 | -163.6 | -174 | -57.8 | 161.5 | 9.8 | 111 | L769 V773 S776 E777 C782 L783 D824 | L769-R779 HydrophobicContact CD2-CB 4.43Å; L769-R779 HydrophobicContact CD2-CG 3.9Å; V773-R779 HydrophobicContact CG1-CB 4.12Å; S776-R779 VanDerWaalsContact O-CB 3.29Å; S776-R779 WeakPolarHBondContact O-CB 3.35Å; S776-R779 PolarHBondContact O-N 3Å; E777-R779 PolarHBondContact O-N 3.32Å; R779-C782 PolarHBondContact O-N 3.27Å; R779-L783 HydrophobicContact CG-CD1 4.46Å; R779-L783 VanDerWaalsContact O-CG 3.27Å; R779-L783 WeakPolarHBondContact O-CG 3.49Å; R779-L783 PolarHBondContact O-N 2.86Å; R779-L783 VanDerWaalsContact O-N 3.09Å; R779-D824 WeakPolarHBondContact CD-OD2 3.5Å; R779-D824 IonicContact NH1-OD1 2.88Å; R779-D824 PolarHBondContact NH1-OD1 3.44Å; R779-D824 IonicContact NH1-OD2 3.62Å |
| 780 | T | 91.1 | Very high | 89.2 | Confident | 3 Ų | 3 | 36.4 Ų | 36.4 | 2% | 0.018 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -64.6 | -44.2 | 179 | 55.5 | 0 | 0 | 0 | 0 | 110.8 | S776 E777 C782 L783 Q784 C827 F828 | S776-T780 WeakPolarHBondContact O-CG2 3.49Å; S776-T780 PolarHBondContact O-N 3.46Å; S776-T780 PolarHBondContact O-OG1 3.07Å; E777-T780 WeakPolarHBondContact CA-OG1 3.43Å; E777-T780 PolarHBondContact O-N 3.48Å; E777-T780 VanDerWaalsContact O-N 3.14Å; E777-T780 PolarHBondContact O-OG1 3.43Å; T780-C782 PolarHBondContact O-N 3.46Å; T780-L783 CarbonylContact O-C 3.57Å; T780-L783 WeakPolarHBondContact O-CA 3.41Å; T780-L783 WeakPolarHBondContact O-CB 3.19Å; T780-L783 PolarHBondContact O-N 3.48Å; T780-L783 VanDerWaalsContact O-N 3.08Å; T780-Q784 WeakPolarHBondContact O-CG 3.4Å; T780-Q784 PolarHBondContact O-N 3.41Å; T780-C827 HydrophobicContact CG2-CB 3.82Å; T780-F828 HydrophobicContact CG2-CD2 3.98Å; T780-F828 HydrophobicContact CG2-CE1 4.48Å; T780-F828 HydrophobicContact CG2-CE2 3.88Å; T780-F828 HydrophobicContact CG2-CG 4.32Å; T780-F828 HydrophobicContact CG2-CZ 4.13Å |
| 781 | M | 92.1 | Very high | 89.5 | Confident | 1 Ų | 1 | 35.4 Ų | 35.4 | 1% | 0.005 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.6 | -44.5 | 176.6 | -68.1 | -60.3 | 113.6 | 0 | 0 | 112.6 | C736 A739 K740 E777 L783 Q784 V785 D833 L943 | C736-M781 HydrophobicContact CB-CG 4.22Å; A739-M781 HydrophobicContact CB-CB 3.93Å; K740-M781 HydrophobicContact CD-SD 4.45Å; E777-M781 HydrophobicContact CG-CG 4.44Å; E777-M781 VanDerWaalsContact O-CG 3.3Å; E777-M781 WeakPolarHBondContact O-CG 3.44Å; E777-M781 PolarHBondContact O-N 2.98Å; M781-L783 VanDerWaalsContact C-N 3.32Å; M781-L783 PolarHBondContact O-N 2.96Å; M781-Q784 WeakPolarHBondContact O-CB 3.36Å; M781-Q784 PolarHBondContact O-N 2.99Å; M781-Q784 PolarHBondContact SD-OE1 3.15Å; M781-V785 PolarHBondContact O-N 3.45Å; M781-D833 WeakPolarHBondContact CE-OD2 3.37Å; M781-L943 HydrophobicContact CG-CD1 3.96Å; M781-L943 HydrophobicContact SD-CD1 3.73Å |
| 782 | C | 93.2 | Very high | 89.9 | Confident | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.4 | -36.7 | 175.8 | -71.3 | 0 | 0 | 0 | 0 | 112.5 | L769 L778 R779 T780 | L769-C782 HydrophobicContact CD1-CB 4.04Å; L769-C782 HydrophobicContact CD2-CB 3.66Å; L769-C782 HydrophobicContact CG-CB 3.75Å; L778-C782 WeakPolarHBondContact O-CB 3.5Å; L778-C782 PolarHBondContact O-N 3.19Å; L778-C782 PolarHBondContact O-SG 3.29Å; R779-C782 PolarHBondContact O-N 3.27Å; T780-C782 PolarHBondContact O-N 3.46Å |
| 783 | L | 93 | Very high | 90.4 | Very high | 1 Ų | 1 | 26.4 Ų | 26.4 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -68.3 | -36.9 | 174.5 | -68.7 | 170.7 | 0 | 0 | 0 | 111.4 | L769 R779 T780 M781 V785 A786 I787 F817 Q820 F828 | L769-L783 HydrophobicContact CD1-CD2 3.93Å; L769-L783 HydrophobicContact CD1-CG 4.24Å; R779-L783 HydrophobicContact CG-CD1 4.46Å; R779-L783 VanDerWaalsContact O-CG 3.27Å; R779-L783 WeakPolarHBondContact O-CG 3.49Å; R779-L783 PolarHBondContact O-N 2.86Å; R779-L783 VanDerWaalsContact O-N 3.09Å; T780-L783 CarbonylContact O-C 3.57Å; T780-L783 WeakPolarHBondContact O-CA 3.41Å; T780-L783 WeakPolarHBondContact O-CB 3.19Å; T780-L783 PolarHBondContact O-N 3.48Å; T780-L783 VanDerWaalsContact O-N 3.08Å; M781-L783 VanDerWaalsContact C-N 3.32Å; M781-L783 PolarHBondContact O-N 2.96Å; L783-V785 VanDerWaalsContact C-N 3.32Å; L783-V785 PolarHBondContact O-N 3.5Å; L783-A786 WeakPolarHBondContact O-CB 3.17Å; L783-A786 PolarHBondContact O-N 3.46Å; L783-A786 VanDerWaalsContact O-N 3.07Å; L783-I787 WeakPolarHBondContact O-CG1 3.43Å; L783-I787 PolarHBondContact O-N 3.1Å; L783-F817 HydrophobicContact CD2-CD2 3.66Å; L783-F817 HydrophobicContact CD2-CE2 3.72Å; L783-Q820 HydrophobicContact CD1-CG 4.49Å; L783-F828 HydrophobicContact CB-CZ 4.41Å |
| 784 | Q | 92.9 | Very high | 90.8 | Very high | 1 Ų | 1 | 26.9 Ų | 26.9 | 1% | 0.005 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -59.3 | -38.8 | 177.9 | -77.7 | -179.7 | -17.3 | 0 | 0 | 113 | E743 T780 M781 A786 I787 A788 F828 D833 | E743-Q784 PolarHBondContact OE2-OE1 3.35Å; T780-Q784 WeakPolarHBondContact O-CG 3.4Å; T780-Q784 PolarHBondContact O-N 3.41Å; M781-Q784 WeakPolarHBondContact O-CB 3.36Å; M781-Q784 PolarHBondContact O-N 2.99Å; M781-Q784 PolarHBondContact SD-OE1 3.15Å; Q784-A786 PolarHBondContact O-N 3.06Å; Q784-I787 CarbonylContact O-C 3.59Å; Q784-I787 WeakPolarHBondContact O-CA 3.49Å; Q784-I787 PolarHBondContact O-N 3.47Å; Q784-A788 WeakPolarHBondContact O-CB 3.35Å; Q784-A788 PolarHBondContact O-N 3.29Å; Q784-F828 HydrophobicContact CG-CD1 4.46Å; Q784-F828 HydrophobicContact CG-CE1 3.73Å; Q784-D833 PolarHBondContact NE2-OD1 3.44Å |
| 785 | V | 95.6 | Very high | 91.3 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -54.8 | -41.7 | 174.3 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | A739 L742 I746 F761 A765 M781 L783 A789 | A739-V785 HydrophobicContact CB-CG2 4.17Å; A739-V785 WeakPolarHBondContact O-CG2 3.39Å; L742-V785 HydrophobicContact CB-CG1 4.12Å; L742-V785 HydrophobicContact CB-CG2 4.09Å; I746-V785 HydrophobicContact CD1-CG1 3.94Å; F761-V785 HydrophobicContact CB-CG1 4.35Å; A765-V785 HydrophobicContact CB-CB 3.82Å; A765-V785 HydrophobicContact CB-CG1 3.94Å; A765-V785 HydrophobicContact CB-CG2 3.97Å; M781-V785 PolarHBondContact O-N 3.45Å; L783-V785 VanDerWaalsContact C-N 3.32Å; L783-V785 PolarHBondContact O-N 3.5Å; V785-A789 WeakPolarHBondContact O-CB 3.32Å; V785-A789 PolarHBondContact O-N 3.5Å; V785-A789 VanDerWaalsContact O-N 3.08Å |
| 786 | A | 94.1 | Very high | 91.7 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 1% | 0.008 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -73.8 | -35.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | V762 L766 L783 Q784 A789 L790 L797 F817 | V762-A786 HydrophobicContact CG1-CB 4.46Å; L766-A786 HydrophobicContact CD2-CB 4.42Å; L783-A786 WeakPolarHBondContact O-CB 3.17Å; L783-A786 PolarHBondContact O-N 3.46Å; L783-A786 VanDerWaalsContact O-N 3.07Å; Q784-A786 PolarHBondContact O-N 3.06Å; A786-A789 PolarHBondContact O-N 3.17Å; A786-L790 PolarHBondContact O-N 3.3Å; A786-L797 HydrophobicContact CB-CD1 4.48Å; A786-L797 VanDerWaalsContact O-CD2 3.24Å; A786-L797 WeakPolarHBondContact O-CD2 3.19Å; A786-F817 HydrophobicContact CB-CD2 4.15Å; A786-F817 HydrophobicContact CB-CE1 4.49Å; A786-F817 HydrophobicContact CB-CE2 3.47Å; A786-F817 VanDerWaalsContact CB-CE2 3.47Å; A786-F817 HydrophobicContact CB-CZ 3.67Å |
| 787 | I | 94.2 | Very high | 92 | Very high | 0 Ų | 0 | 19.6 Ų | 19.6 | 0% | 0 | 10% | 0.103 | C | C | . | . | H | α-helix | trans | -65.4 | -43.2 | 175.3 | -64.7 | 165.9 | 0 | 0 | 0 | 111.1 | L783 Q784 A789 L790 Y791 F817 W821 F828 M836 | L783-I787 WeakPolarHBondContact O-CG1 3.43Å; L783-I787 PolarHBondContact O-N 3.1Å; Q784-I787 CarbonylContact O-C 3.59Å; Q784-I787 WeakPolarHBondContact O-CA 3.49Å; Q784-I787 PolarHBondContact O-N 3.47Å; I787-A789 VanDerWaalsContact C-N 3.35Å; I787-A789 PolarHBondContact O-N 3.15Å; I787-L790 VanDerWaalsContact O-CB 3.26Å; I787-L790 WeakPolarHBondContact O-CB 3.18Å; I787-L790 PolarHBondContact O-N 3.19Å; I787-L790 VanDerWaalsContact O-N 3.13Å; I787-Y791 PolarHBondContact O-N 3.46Å; I787-F817 HydrophobicContact CG1-CZ 4.14Å; I787-W821 HydrophobicContact CD1-CD2 4.02Å; I787-W821 VanDerWaalsContact CD1-CE2 3.45Å; I787-W821 HydrophobicContact CD1-CG 4.29Å; I787-W821 HydrophobicContact CD1-CZ2 3.77Å; I787-W821 VanDerWaalsContact CD1-NE1 3.34Å; I787-W821 HydrophobicContact CG1-CD2 4.11Å; I787-W821 HydrophobicContact CG1-CE3 4.37Å; I787-W821 HydrophobicContact CG1-CH2 4.07Å; I787-W821 HydrophobicContact CG1-CZ2 3.8Å; I787-W821 HydrophobicContact CG1-CZ3 4.32Å; I787-W821 HydrophobicContact CG2-CH2 4.46Å; I787-W821 HydrophobicContact CG2-CZ2 4.28Å; I787-F828 HydrophobicContact CD1-CE1 4.05Å; I787-F828 HydrophobicContact CD1-CZ 3.95Å; I787-M836 VanDerWaalsContact CG2-O 3.29Å; I787-M836 WeakPolarHBondContact CG2-O 3.44Å |
| 788 | A | 93.9 | Very high | 92.1 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.4 | -42.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | E743 I746 L747 Q784 L790 Y791 Y792 M836 | E743-A788 HydrophobicContact CB-CB 4.48Å; E743-A788 HydrophobicContact CG-CB 3.9Å; I746-A788 HydrophobicContact CB-CB 4.46Å; I746-A788 HydrophobicContact CG2-CB 4.1Å; L747-A788 HydrophobicContact CD2-CB 3.94Å; L747-A788 HydrophobicContact CG-CB 4.12Å; Q784-A788 WeakPolarHBondContact O-CB 3.35Å; Q784-A788 PolarHBondContact O-N 3.29Å; A788-L790 VanDerWaalsContact C-N 3.29Å; A788-L790 PolarHBondContact O-N 3.5Å; A788-Y791 CarbonylContact O-C 3.23Å; A788-Y791 PolarHBondContact O-N 3.12Å; A788-Y792 WeakPolarHBondContact O-CB 3.39Å; A788-Y792 PolarHBondContact O-N 3.36Å; A788-M836 HydrophobicContact CB-CE 4.06Å |
| 789 | A | 93.9 | Very high | 92.1 | Very high | 1 Ų | 1 | 21.6 Ų | 21.6 | 1% | 0.008 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -62.7 | -34.3 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I746 V758 V762 V785 A786 I787 Y792 S793 L797 | I746-A789 HydrophobicContact CD1-CB 4.4Å; V758-A789 HydrophobicContact CG1-CB 3.78Å; V762-A789 HydrophobicContact CG2-CB 3.58Å; V785-A789 WeakPolarHBondContact O-CB 3.32Å; V785-A789 PolarHBondContact O-N 3.5Å; V785-A789 VanDerWaalsContact O-N 3.08Å; A786-A789 PolarHBondContact O-N 3.17Å; I787-A789 VanDerWaalsContact C-N 3.35Å; I787-A789 PolarHBondContact O-N 3.15Å; A789-Y792 PolarHBondContact O-N 2.98Å; A789-S793 PolarHBondContact O-N 3.43Å; A789-L797 HydrophobicContact CB-CD1 4.06Å |
| 790 | L | 92.8 | Very high | 92 | Very high | 1 Ų | 1 | 19.1 Ų | 19.1 | 1% | 0.005 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.9 | -45.6 | 173.4 | -175.7 | 69.3 | 0 | 0 | 0 | 110.7 | A786 I787 A788 Y792 P794 L797 W821 G840 A843 L844 | A786-L790 PolarHBondContact O-N 3.3Å; I787-L790 VanDerWaalsContact O-CB 3.26Å; I787-L790 WeakPolarHBondContact O-CB 3.18Å; I787-L790 PolarHBondContact O-N 3.19Å; I787-L790 VanDerWaalsContact O-N 3.13Å; A788-L790 VanDerWaalsContact C-N 3.29Å; A788-L790 PolarHBondContact O-N 3.5Å; L790-Y792 VanDerWaalsContact C-N 3.3Å; L790-Y792 PolarHBondContact O-N 3.04Å; L790-P794 HydrophobicContact CD1-CB 3.9Å; L790-P794 HydrophobicContact CD1-CG 4.49Å; L790-P794 WeakPolarHBondContact O-CD 3.07Å; L790-P794 VanDerWaalsContact O-CG 3.3Å; L790-P794 WeakPolarHBondContact O-CG 3.22Å; L790-L797 HydrophobicContact CB-CD2 3.47Å; L790-L797 VanDerWaalsContact CB-CD2 3.47Å; L790-L797 HydrophobicContact CD1-CD2 3.85Å; L790-L797 HydrophobicContact CG-CD2 4.2Å; L790-W821 HydrophobicContact CD2-CH2 4.36Å; L790-W821 HydrophobicContact CD2-CZ3 4.27Å; L790-G840 WeakPolarHBondContact CD2-O 3.31Å; L790-A843 HydrophobicContact CD2-CB 4.08Å; L790-A843 HydrophobicContact CG-CB 3.93Å; L790-L844 HydrophobicContact CD1-CD2 3.87Å; L790-L844 HydrophobicContact CD2-CD2 3.43Å; L790-L844 VanDerWaalsContact CD2-CD2 3.43Å; L790-L844 HydrophobicContact CD2-CG 3.52Å; L790-L844 HydrophobicContact CG-CD2 4.32Å |
| 791 | Y | 91.5 | Very high | 91.9 | Very high | 48 Ų | 48 | 19.1 Ų | 19.1 | 19% | 0.188 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -66.8 | -30.9 | 176.9 | -178 | -109.2 | 0 | 0 | 0 | 112.6 | L747 K750 I787 A788 L839 V950 | L747-Y791 HydrophobicContact CD2-CD1 3.93Å; K750-Y791 HydrophobicContact CD-CD1 4.28Å; K750-Y791 HydrophobicContact CD-CE1 4.07Å; K750-Y791 WeakPolarHBondContact CE-O 3.44Å; K750-Y791 VanDerWaalsContact NZ-CD1 3.31Å; K750-Y791 PolarHBondContact NZ-O 3.12Å; I787-Y791 PolarHBondContact O-N 3.46Å; A788-Y791 CarbonylContact O-C 3.23Å; A788-Y791 PolarHBondContact O-N 3.12Å; Y791-L839 HydrophobicContact CD2-CB 3.97Å; Y791-L839 HydrophobicContact CE2-CB 4.17Å; Y791-L839 HydrophobicContact CE2-CD1 4.19Å; Y791-L839 HydrophobicContact CE2-CD2 4.34Å; Y791-L839 HydrophobicContact CE2-CG 4.47Å; Y791-V950 HydrophobicContact CE1-CG2 4.14Å |
| 792 | Y | 91.2 | Very high | 91.5 | Very high | 26 Ų | 26 | 24 Ų | 24 | 10% | 0.102 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.7 | -56.8 | 174.2 | 175.7 | -87.6 | 0 | 0 | 0 | 111.6 | I746 K750 I754 D755 V758 A788 A789 L790 L796 | I746-Y792 HydrophobicContact CG2-CD2 4.27Å; I746-Y792 HydrophobicContact CG2-CG 4.21Å; I746-Y792 WeakPolarHBondContact O-CD2 3.26Å; K750-Y792 HydrophobicContact CB-CD2 4.02Å; K750-Y792 HydrophobicContact CB-CE2 4.41Å; K750-Y792 HydrophobicContact CG-CD2 3.96Å; K750-Y792 HydrophobicContact CG-CE2 4.49Å; I754-Y792 HydrophobicContact CD1-CE2 4.12Å; I754-Y792 HydrophobicContact CG1-CE2 3.78Å; D755-Y792 VanDerWaalsContact OD1-CE1 3.24Å; D755-Y792 WeakPolarHBondContact OD1-CE1 3.22Å; D755-Y792 VanDerWaalsContact OD1-CZ 3.3Å; D755-Y792 PolarHBondContact OD1-OH 3.34Å; V758-Y792 HydrophobicContact CG2-CD1 4.36Å; V758-Y792 HydrophobicContact CG2-CE1 4.23Å; A788-Y792 WeakPolarHBondContact O-CB 3.39Å; A788-Y792 PolarHBondContact O-N 3.36Å; A789-Y792 PolarHBondContact O-N 2.98Å; L790-Y792 VanDerWaalsContact C-N 3.3Å; L790-Y792 PolarHBondContact O-N 3.04Å; Y792-L796 HydrophobicContact CD1-CD2 4.4Å; Y792-L796 HydrophobicContact CE1-CD2 4.13Å |
| 793 | S | 91.5 | Very high | 91.1 | Very high | 32 Ų | 32 | 29.4 Ų | 29.4 | 22% | 0.224 | 16% | 0.159 | C | C | . | . | trans | -157.8 | 100.9 | 179.9 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | A789 L796 L797 | A789-S793 PolarHBondContact O-N 3.43Å; S793-L796 PolarHBondContact O-N 3.3Å; S793-L796 VanDerWaalsContact O-N 3.12Å; S793-L797 PolarHBondContact O-N 3.41Å; S793-L797 VanDerWaalsContact O-N 3.15Å | ||
| 794 | P | 90.1 | Very high | 90.6 | Very high | 36 Ų | 36 | 31.7 Ų | 31.7 | 23% | 0.234 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -57.3 | -42.8 | -179.3 | -19.1 | 26 | 0 | 0 | 0 | 114.3 | L790 L796 L797 L798 L847 | L790-P794 HydrophobicContact CD1-CB 3.9Å; L790-P794 HydrophobicContact CD1-CG 4.49Å; L790-P794 WeakPolarHBondContact O-CD 3.07Å; L790-P794 VanDerWaalsContact O-CG 3.3Å; L790-P794 WeakPolarHBondContact O-CG 3.22Å; P794-L796 VanDerWaalsContact C-N 3.29Å; P794-L796 PolarHBondContact O-N 2.98Å; P794-L797 PolarHBondContact O-N 3.46Å; P794-L798 WeakPolarHBondContact O-CB 3.35Å; P794-L798 VanDerWaalsContact O-CG 3.27Å; P794-L798 WeakPolarHBondContact O-CG 3.45Å; P794-L798 PolarHBondContact O-N 3.47Å; P794-L847 HydrophobicContact CB-CD2 3.61Å; P794-L847 HydrophobicContact CG-CD2 4.49Å |
| 795 | P | 90.3 | Very high | 90 | Very high | 93 Ų | 93 | 37.1 Ų | 37.1 | 60% | 0.604 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -60.8 | -36.4 | 177.1 | -23.8 | 34.4 | 0 | 0 | 0 | 113.5 | N799 | P795-N799 WeakPolarHBondContact O-CB 3.27Å; P795-N799 PolarHBondContact O-N 3.37Å; P795-N799 VanDerWaalsContact O-N 3.13Å |
| 796 | L | 91.3 | Very high | 88.7 | Confident | 34 Ų | 34 | 38.8 Ų | 38.8 | 18% | 0.178 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -68.8 | -46 | -179.8 | -179.2 | 61.2 | 0 | 0 | 0 | 111.1 | D755 V758 P759 Y792 S793 P794 T800 | D755-L796 HydrophobicContact CB-CD2 4.14Å; V758-L796 HydrophobicContact CB-CD2 4Å; V758-L796 HydrophobicContact CG1-CD2 4.13Å; V758-L796 HydrophobicContact CG2-CD2 4.46Å; P759-L796 HydrophobicContact CG-CD1 4.21Å; Y792-L796 HydrophobicContact CD1-CD2 4.4Å; Y792-L796 HydrophobicContact CE1-CD2 4.13Å; S793-L796 PolarHBondContact O-N 3.3Å; S793-L796 VanDerWaalsContact O-N 3.12Å; P794-L796 VanDerWaalsContact C-N 3.29Å; P794-L796 PolarHBondContact O-N 2.98Å; L796-T800 WeakPolarHBondContact O-CB 3.21Å; L796-T800 PolarHBondContact O-N 3.34Å; L796-T800 PolarHBondContact O-OG1 3.26Å |
| 797 | L | 91.6 | Very high | 87.2 | Confident | 2 Ų | 2 | 42.9 Ų | 42.9 | 1% | 0.01 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -47.8 | 176.8 | 178.5 | 67.4 | 0 | 0 | 0 | 111.1 | V762 A786 A789 L790 S793 P794 N799 T800 L801 | V762-L797 HydrophobicContact CG1-CD1 3.89Å; V762-L797 HydrophobicContact CG2-CD1 4.04Å; A786-L797 HydrophobicContact CB-CD1 4.48Å; A786-L797 VanDerWaalsContact O-CD2 3.24Å; A786-L797 WeakPolarHBondContact O-CD2 3.19Å; A789-L797 HydrophobicContact CB-CD1 4.06Å; L790-L797 HydrophobicContact CB-CD2 3.47Å; L790-L797 VanDerWaalsContact CB-CD2 3.47Å; L790-L797 HydrophobicContact CD1-CD2 3.85Å; L790-L797 HydrophobicContact CG-CD2 4.2Å; S793-L797 PolarHBondContact O-N 3.41Å; S793-L797 VanDerWaalsContact O-N 3.15Å; P794-L797 PolarHBondContact O-N 3.46Å; L797-N799 VanDerWaalsContact C-N 3.31Å; L797-N799 PolarHBondContact O-N 3.04Å; L797-T800 CarbonylContact O-C 3.39Å; L797-T800 WeakPolarHBondContact O-CA 3.36Å; L797-T800 WeakPolarHBondContact O-CB 3.45Å; L797-T800 PolarHBondContact O-N 3.39Å; L797-L801 HydrophobicContact CD1-CD1 4.06Å; L797-L801 HydrophobicContact CD1-CD2 4.26Å; L797-L801 HydrophobicContact CD1-CG 3.89Å; L797-L801 HydrophobicContact CD2-CD1 4.18Å; L797-L801 HydrophobicContact CG-CD1 3.81Å; L797-L801 HydrophobicContact CG-CG 4.05Å; L797-L801 WeakPolarHBondContact O-CG 3.49Å; L797-L801 PolarHBondContact O-N 2.84Å |
| 798 | L | 89.5 | Confident | 85.7 | Confident | 22 Ų | 22 | 51.4 Ų | 51.4 | 12% | 0.115 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -59 | -44.3 | -178.6 | -69.2 | 177.9 | 0 | 0 | 0 | 111.6 | P794 T800 L801 E802 L847 P851 | P794-L798 WeakPolarHBondContact O-CB 3.35Å; P794-L798 VanDerWaalsContact O-CG 3.27Å; P794-L798 WeakPolarHBondContact O-CG 3.45Å; P794-L798 PolarHBondContact O-N 3.47Å; L798-T800 VanDerWaalsContact C-N 3.31Å; L798-T800 PolarHBondContact O-N 2.86Å; L798-L801 PolarHBondContact O-N 2.87Å; L798-E802 WeakPolarHBondContact O-CB 3.43Å; L798-E802 WeakPolarHBondContact O-CG 3.47Å; L798-E802 PolarHBondContact O-N 2.99Å; L798-L847 HydrophobicContact CD1-CD1 4.04Å; L798-L847 HydrophobicContact CD1-CD2 4.07Å; L798-P851 HydrophobicContact CD1-CG 4.3Å; L798-P851 HydrophobicContact CD2-CG 3.83Å |
| 799 | N | 89.4 | Confident | 84.3 | Confident | 88 Ų | 88 | 54 Ų | 54 | 47% | 0.471 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.9 | -38.6 | 174.4 | -171.7 | 13.2 | 0 | 0 | 0 | 111.8 | P795 L797 E802 N803 | P795-N799 WeakPolarHBondContact O-CB 3.27Å; P795-N799 PolarHBondContact O-N 3.37Å; P795-N799 VanDerWaalsContact O-N 3.13Å; L797-N799 VanDerWaalsContact C-N 3.31Å; L797-N799 PolarHBondContact O-N 3.04Å; N799-E802 PolarHBondContact O-N 3.39Å; N799-N803 PolarHBondContact O-N 3.04Å; N799-N803 PolarHBondContact O-ND2 3.15Å; N799-N803 PolarHBondContact OD1-ND2 3.41Å |
| 800 | T | 89.6 | Confident | 82.9 | Confident | 11 Ų | 11 | 60.5 Ų | 60.5 | 7% | 0.067 | 33% | 0.329 | C | S | . | . | H | α-helix | trans | -63 | -50.5 | 176.5 | -59.5 | 0 | 0 | 0 | 0 | 111.3 | P759 V762 L796 L797 L798 E802 N803 L804 | P759-T800 HydrophobicContact CB-CG2 3.86Å; V762-T800 HydrophobicContact CB-CG2 4.39Å; V762-T800 HydrophobicContact CG1-CG2 4.24Å; L796-T800 WeakPolarHBondContact O-CB 3.21Å; L796-T800 PolarHBondContact O-N 3.34Å; L796-T800 PolarHBondContact O-OG1 3.26Å; L797-T800 CarbonylContact O-C 3.39Å; L797-T800 WeakPolarHBondContact O-CA 3.36Å; L797-T800 WeakPolarHBondContact O-CB 3.45Å; L797-T800 PolarHBondContact O-N 3.39Å; L798-T800 VanDerWaalsContact C-N 3.31Å; L798-T800 PolarHBondContact O-N 2.86Å; T800-E802 VanDerWaalsContact C-N 3.29Å; T800-E802 PolarHBondContact O-N 3.1Å; T800-N803 PolarHBondContact O-N 3.2Å; T800-N803 VanDerWaalsContact O-N 3.07Å; T800-L804 HydrophobicContact CG2-CD1 3.67Å; T800-L804 HydrophobicContact CG2-CG 4.18Å; T800-L804 WeakPolarHBondContact O-CG 3.34Å; T800-L804 PolarHBondContact O-N 3.03Å |
| 801 | L | 88.1 | Confident | 81.9 | Confident | 3 Ų | 3 | 66.3 Ų | 66.3 | 2% | 0.016 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -63.9 | -33.3 | 178.9 | -64.7 | 176.8 | 0 | 0 | 0 | 112.5 | V762 L766 L797 L798 N803 I813 T814 F817 | V762-L801 HydrophobicContact CG1-CD2 4.37Å; L766-L801 HydrophobicContact CD1-CD2 3.55Å; L797-L801 HydrophobicContact CD1-CD1 4.06Å; L797-L801 HydrophobicContact CD1-CD2 4.26Å; L797-L801 HydrophobicContact CD1-CG 3.89Å; L797-L801 HydrophobicContact CD2-CD1 4.18Å; L797-L801 HydrophobicContact CG-CD1 3.81Å; L797-L801 HydrophobicContact CG-CG 4.05Å; L797-L801 WeakPolarHBondContact O-CG 3.49Å; L797-L801 PolarHBondContact O-N 2.84Å; L798-L801 PolarHBondContact O-N 2.87Å; L801-N803 VanDerWaalsContact C-N 3.29Å; L801-N803 PolarHBondContact O-N 3.24Å; L801-I813 PolarHBondContact O-N 3Å; L801-T814 WeakPolarHBondContact CB-OG1 3.45Å; L801-T814 HydrophobicContact CD1-CG2 4.37Å; L801-F817 HydrophobicContact CD1-CD1 3.94Å; L801-F817 HydrophobicContact CD1-CE1 4.5Å |
| 802 | E | 84.3 | Confident | 81.1 | Confident | 103 Ų | 103 | 66.6 Ų | 66.6 | 48% | 0.481 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -70 | -23.4 | 174.7 | -79.5 | -176.1 | -174 | 0 | 0 | 113.4 | L798 N799 T800 R805 | L798-E802 WeakPolarHBondContact O-CB 3.43Å; L798-E802 WeakPolarHBondContact O-CG 3.47Å; L798-E802 PolarHBondContact O-N 2.99Å; N799-E802 PolarHBondContact O-N 3.39Å; T800-E802 VanDerWaalsContact C-N 3.29Å; T800-E802 PolarHBondContact O-N 3.1Å; E802-R805 VanDerWaalsContact O-CZ 3.28Å; E802-R805 PolarHBondContact O-NH1 3.24Å; E802-R805 PolarHBondContact O-NH2 3.44Å |
| 803 | N | 84.5 | Confident | 80.7 | Confident | 114 Ų | 114 | 65.7 Ų | 65.7 | 61% | 0.61 | 36% | 0.36 | S | S | * | . | H | α-helix | trans | -97.9 | -26.2 | 178.9 | -69.9 | -46.5 | 0 | 0 | 0 | 113.5 | N799 T800 L801 | N799-N803 PolarHBondContact O-N 3.04Å; N799-N803 PolarHBondContact O-ND2 3.15Å; N799-N803 PolarHBondContact OD1-ND2 3.41Å; T800-N803 PolarHBondContact O-N 3.2Å; T800-N803 VanDerWaalsContact O-N 3.07Å; L801-N803 VanDerWaalsContact C-N 3.29Å; L801-N803 PolarHBondContact O-N 3.24Å |
| 804 | L | 83.1 | Confident | 80.4 | Confident | 49 Ų | 49 | 64.6 Ų | 64.6 | 26% | 0.257 | 35% | 0.352 | S | S | . | . | trans | -73.8 | 139.5 | 176.7 | -70.8 | 170.2 | 0 | 0 | 0 | 111.6 | V762 T800 I813 | V762-L804 HydrophobicContact CG1-CD1 4.32Å; T800-L804 HydrophobicContact CG2-CD1 3.67Å; T800-L804 HydrophobicContact CG2-CG 4.18Å; T800-L804 WeakPolarHBondContact O-CG 3.34Å; T800-L804 PolarHBondContact O-N 3.03Å; L804-I813 HydrophobicContact CB-CD1 3.56Å; L804-I813 HydrophobicContact CB-CG1 4.42Å | ||
| 805 | R | 78.6 | Confident | 80 | Confident | 116 Ų | 116 | 65.6 Ų | 65.6 | 44% | 0.438 | 36% | 0.356 | S | S | . | . | trans | -135.2 | 129.1 | 176.2 | -64.6 | -67.6 | 178.8 | -75.4 | -4.8 | 108.9 | E802 T810 E811 | E802-R805 VanDerWaalsContact O-CZ 3.28Å; E802-R805 PolarHBondContact O-NH1 3.24Å; E802-R805 PolarHBondContact O-NH2 3.44Å; R805-T810 PolarHBondContact NE-O 3.16Å; R805-E811 VanDerWaalsContact CD-O 3.32Å; R805-E811 WeakPolarHBondContact CD-O 3.33Å | ||
| 806 | F | 69.7 | Low | 79.7 | Confident | 35 Ų | 35 | 65.7 Ų | 65.7 | 15% | 0.154 | 35% | 0.348 | C | S | . | . | trans | -72.7 | 151.1 | 173.9 | -70.9 | -47.6 | 0 | 0 | 0 | 111.7 | L766 T770 N808 S809 I813 H816 | L766-F806 HydrophobicContact CB-CE1 4.21Å; L766-F806 HydrophobicContact CB-CZ 4.18Å; L766-F806 WeakPolarHBondContact O-CE1 3.28Å; T770-F806 HydrophobicContact CG2-CB 4.31Å; T770-F806 HydrophobicContact CG2-CD1 3.13Å; T770-F806 HydrophobicContact CG2-CD2 4.42Å; T770-F806 HydrophobicContact CG2-CE1 3.32Å; T770-F806 HydrophobicContact CG2-CG 3.74Å; T770-F806 HydrophobicContact CG2-CZ 4.06Å; F806-N808 PolarHBondContact O-N 3.09Å; F806-N808 VanDerWaalsContact O-N 3.13Å; F806-S809 PolarHBondContact O-N 3.08Å; F806-I813 HydrophobicContact CD1-CD1 3.65Å; F806-I813 HydrophobicContact CD1-CG1 4.39Å; F806-I813 HydrophobicContact CD2-CD1 3.85Å; F806-I813 HydrophobicContact CD2-CG1 3.68Å; F806-I813 HydrophobicContact CD2-CG2 4.25Å; F806-I813 HydrophobicContact CE1-CD1 3.62Å; F806-I813 HydrophobicContact CE1-CG1 4.45Å; F806-I813 HydrophobicContact CE2-CB 4.19Å; F806-I813 HydrophobicContact CE2-CD1 3.82Å; F806-I813 HydrophobicContact CE2-CG1 3.75Å; F806-I813 HydrophobicContact CE2-CG2 3.45Å; F806-I813 VanDerWaalsContact CE2-CG2 3.45Å; F806-I813 HydrophobicContact CG-CD1 3.78Å; F806-I813 HydrophobicContact CG-CG1 4.03Å; F806-I813 HydrophobicContact CZ-CD1 3.72Å; F806-I813 HydrophobicContact CZ-CG1 4.16Å; F806-I813 HydrophobicContact CZ-CG2 3.66Å; F806-H816 AromaticContact CE2-CD2 3.62Å | ||
| 807 | P | 62.4 | Low | 79.5 | Confident | 87 Ų | 87 | 64.3 Ų | 64.3 | 57% | 0.565 | 34% | 0.34 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.7 | 121.9 | 166.6 | -17.5 | 30 | 0 | 0 | 0 | 108.3 | ||
| 808 | N | 62.8 | Low | 79.3 | Confident | 178 Ų | 178 | 64.3 Ų | 64.3 | 95% | 0.952 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 89.3 | 2.7 | 179.6 | -42.7 | -44.3 | 0 | 0 | 0 | 118.4 | F806 | F806-N808 PolarHBondContact O-N 3.09Å; F806-N808 VanDerWaalsContact O-N 3.13Å |
| 809 | S | 65 | Low | 79.2 | Confident | 56 Ų | 56 | 66.9 Ų | 66.9 | 39% | 0.392 | 36% | 0.357 | S | S | . | . | trans | -124.1 | 135.7 | 172 | -176.8 | 0 | 0 | 0 | 0 | 113 | F806 E811 | F806-S809 PolarHBondContact O-N 3.08Å; S809-E811 PolarHBondContact OG-N 3Å | ||
| 810 | T | 63.5 | Low | 79.1 | Confident | 137 Ų | 137 | 64.6 Ų | 64.6 | 84% | 0.84 | 34% | 0.344 | S | S | * | . | trans | -87.4 | -12.4 | 172.8 | 52 | 0 | 0 | 0 | 0 | 113.1 | R805 | R805-T810 PolarHBondContact NE-O 3.16Š| ||
| 811 | E | 72 | Confident | 79.1 | Confident | 122 Ų | 122 | 64.1 Ų | 64.1 | 57% | 0.57 | 34% | 0.34 | S | S | * | . | S | Bend | trans | -84.2 | 147.4 | -178.6 | -64.8 | -170.6 | 173.2 | 0 | 0 | 111.4 | R805 S809 | R805-E811 VanDerWaalsContact CD-O 3.32Å; R805-E811 WeakPolarHBondContact CD-O 3.33Å; S809-E811 PolarHBondContact OG-N 3Å |
| 812 | P | 74.1 | Confident | 79.2 | Confident | 55 Ų | 55 | 65 Ų | 65 | 36% | 0.357 | 35% | 0.345 | S | S | . | . | trans | -62.5 | 144.1 | 172.5 | 26.8 | -33 | 0 | 0 | 0 | 111.1 | T814 | P812-T814 PolarHBondContact O-N 3.36Å; P812-T814 VanDerWaalsContact O-N 3.14Å | ||
| 813 | I | 84.1 | Confident | 79.4 | Confident | 7 Ų | 7 | 67 Ų | 67 | 4% | 0.036 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.4 | -17.9 | -173.5 | -61.7 | 173.5 | 0 | 0 | 0 | 111.9 | L766 L801 L804 F806 N815 H816 F817 | L766-I813 HydrophobicContact CD1-CG2 4.25Å; L801-I813 PolarHBondContact O-N 3Å; L804-I813 HydrophobicContact CB-CD1 3.56Å; L804-I813 HydrophobicContact CB-CG1 4.42Å; F806-I813 HydrophobicContact CD1-CD1 3.65Å; F806-I813 HydrophobicContact CD1-CG1 4.39Å; F806-I813 HydrophobicContact CD2-CD1 3.85Å; F806-I813 HydrophobicContact CD2-CG1 3.68Å; F806-I813 HydrophobicContact CD2-CG2 4.25Å; F806-I813 HydrophobicContact CE1-CD1 3.62Å; F806-I813 HydrophobicContact CE1-CG1 4.45Å; F806-I813 HydrophobicContact CE2-CB 4.19Å; F806-I813 HydrophobicContact CE2-CD1 3.82Å; F806-I813 HydrophobicContact CE2-CG1 3.75Å; F806-I813 HydrophobicContact CE2-CG2 3.45Å; F806-I813 VanDerWaalsContact CE2-CG2 3.45Å; F806-I813 HydrophobicContact CG-CD1 3.78Å; F806-I813 HydrophobicContact CG-CG1 4.03Å; F806-I813 HydrophobicContact CZ-CD1 3.72Å; F806-I813 HydrophobicContact CZ-CG1 4.16Å; F806-I813 HydrophobicContact CZ-CG2 3.66Å; I813-N815 PolarHBondContact O-N 3.35Å; I813-N815 VanDerWaalsContact O-N 3.08Å; I813-H816 WeakPolarHBondContact O-CA 3.36Å; I813-H816 WeakPolarHBondContact O-CB 3.5Å; I813-H816 PolarHBondContact O-N 3.06Å; I813-F817 HydrophobicContact CG2-CB 4.41Å; I813-F817 PolarHBondContact O-N 2.83Å |
| 814 | T | 84.3 | Confident | 79.6 | Confident | 9 Ų | 9 | 61.9 Ų | 61.9 | 6% | 0.055 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -46.5 | -44.1 | -178.4 | -41.2 | 0 | 0 | 0 | 0 | 113.6 | L801 P812 I818 | L801-T814 WeakPolarHBondContact CB-OG1 3.45Å; L801-T814 HydrophobicContact CD1-CG2 4.37Å; P812-T814 PolarHBondContact O-N 3.36Å; P812-T814 VanDerWaalsContact O-N 3.14Å; T814-I818 HydrophobicContact CG2-CD1 3.97Å; T814-I818 WeakPolarHBondContact O-CD1 3.33Å; T814-I818 VanDerWaalsContact O-CG1 3.26Å; T814-I818 WeakPolarHBondContact O-CG1 3.38Å; T814-I818 PolarHBondContact O-N 3.4Å; T814-I818 VanDerWaalsContact O-N 3.16Å |
| 815 | N | 82.9 | Confident | 79.8 | Confident | 56 Ų | 56 | 59.9 Ų | 59.9 | 30% | 0.299 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -72.6 | -39.2 | -178.8 | -166 | 33.7 | 0 | 0 | 0 | 112.3 | I813 T819 A853 | I813-N815 PolarHBondContact O-N 3.35Å; I813-N815 VanDerWaalsContact O-N 3.08Å; N815-T819 WeakPolarHBondContact O-CB 3.31Å; N815-T819 PolarHBondContact O-N 3.1Å; N815-T819 PolarHBondContact O-OG1 3.46Å; N815-A853 HydrophobicContact CB-CB 4.15Å; N815-A853 WeakPolarHBondContact OD1-CB 3.28Å |
| 816 | H | 83.1 | Confident | 80.1 | Confident | 95 Ų | 95 | 59.4 Ų | 59.4 | 44% | 0.44 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -65.1 | -48.4 | 177.1 | -179 | 75.5 | 0 | 0 | 0 | 110.9 | F806 I813 I818 T819 Q820 | F806-H816 AromaticContact CE2-CD2 3.62Å; I813-H816 WeakPolarHBondContact O-CA 3.36Å; I813-H816 WeakPolarHBondContact O-CB 3.5Å; I813-H816 PolarHBondContact O-N 3.06Å; H816-I818 PolarHBondContact O-N 3.35Å; H816-T819 PolarHBondContact O-N 3.41Å; H816-Q820 VanDerWaalsContact O-CB 3.26Å; H816-Q820 WeakPolarHBondContact O-CB 3.31Å; H816-Q820 PolarHBondContact O-N 3.11Å |
| 817 | F | 87.4 | Confident | 80.9 | Confident | 5 Ų | 5 | 59.4 Ų | 59.4 | 2% | 0.022 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -56 | -51.1 | 176.7 | 168.7 | -109.3 | 0 | 0 | 0 | 112.1 | L766 L783 A786 I787 L801 I813 T819 Q820 W821 | L766-F817 HydrophobicContact CD2-CD2 4.22Å; L783-F817 HydrophobicContact CD2-CD2 3.66Å; L783-F817 HydrophobicContact CD2-CE2 3.72Å; A786-F817 HydrophobicContact CB-CD2 4.15Å; A786-F817 HydrophobicContact CB-CE1 4.49Å; A786-F817 HydrophobicContact CB-CE2 3.47Å; A786-F817 VanDerWaalsContact CB-CE2 3.47Å; A786-F817 HydrophobicContact CB-CZ 3.67Å; I787-F817 HydrophobicContact CG1-CZ 4.14Å; L801-F817 HydrophobicContact CD1-CD1 3.94Å; L801-F817 HydrophobicContact CD1-CE1 4.5Å; I813-F817 HydrophobicContact CG2-CB 4.41Å; I813-F817 PolarHBondContact O-N 2.83Å; F817-T819 PolarHBondContact O-N 3.48Å; F817-Q820 PolarHBondContact O-N 3.41Å; F817-W821 AromaticContact CE1-CE3 3.88Å; F817-W821 HydrophobicContact CE1-CE3 3.88Å; F817-W821 HydrophobicContact CE1-CZ3 4.3Å; F817-W821 HydrophobicContact CZ-CD2 4.39Å; F817-W821 AromaticContact CZ-CE3 3.83Å; F817-W821 HydrophobicContact CZ-CE3 3.83Å; F817-W821 HydrophobicContact CZ-CZ3 4.35Å; F817-W821 WeakPolarHBondContact O-CB 3.44Å; F817-W821 PolarHBondContact O-N 3.2Å |
| 818 | I | 87.9 | Confident | 82 | Confident | 3 Ų | 3 | 55.3 Ų | 55.3 | 2% | 0.015 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -64.4 | -40.7 | -178.7 | -67.5 | 165.8 | 0 | 0 | 0 | 111.4 | T814 H816 L822 A853 I854 V857 | T814-I818 HydrophobicContact CG2-CD1 3.97Å; T814-I818 WeakPolarHBondContact O-CD1 3.33Å; T814-I818 VanDerWaalsContact O-CG1 3.26Å; T814-I818 WeakPolarHBondContact O-CG1 3.38Å; T814-I818 PolarHBondContact O-N 3.4Å; T814-I818 VanDerWaalsContact O-N 3.16Å; H816-I818 PolarHBondContact O-N 3.35Å; I818-L822 HydrophobicContact CG2-CD1 4.16Å; I818-L822 WeakPolarHBondContact O-CB 3.45Å; I818-L822 WeakPolarHBondContact O-CG 3.05Å; I818-L822 PolarHBondContact O-N 3.11Å; I818-A853 HydrophobicContact CD1-CB 3.93Å; I818-I854 HydrophobicContact CD1-CD1 4.47Å; I818-I854 HydrophobicContact CD1-CG1 3.67Å; I818-V857 HydrophobicContact CG2-CG1 4.48Å; I818-V857 HydrophobicContact CG2-CG2 3.65Å |
| 819 | T | 86.6 | Confident | 82.8 | Confident | 75 Ų | 75 | 50.1 Ų | 50.1 | 46% | 0.46 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -69.1 | -43 | -179.7 | -54.6 | 0 | 0 | 0 | 0 | 111.3 | N815 H816 F817 K823 | N815-T819 WeakPolarHBondContact O-CB 3.31Å; N815-T819 PolarHBondContact O-N 3.1Å; N815-T819 PolarHBondContact O-OG1 3.46Å; H816-T819 PolarHBondContact O-N 3.41Å; F817-T819 PolarHBondContact O-N 3.48Å; T819-K823 WeakPolarHBondContact O-CB 3.43Å; T819-K823 PolarHBondContact O-N 3.44Å; T819-K823 VanDerWaalsContact O-N 3.08Å |
| 820 | Q | 86.5 | Confident | 83.6 | Confident | 41 Ų | 41 | 47.4 Ų | 47.4 | 19% | 0.192 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -65.3 | -48.1 | 177.9 | -170.5 | 64.6 | 34.7 | 0 | 0 | 110.5 | L783 H816 F817 L822 K823 D824 | L783-Q820 HydrophobicContact CD1-CG 4.49Å; H816-Q820 VanDerWaalsContact O-CB 3.26Å; H816-Q820 WeakPolarHBondContact O-CB 3.31Å; H816-Q820 PolarHBondContact O-N 3.11Å; F817-Q820 PolarHBondContact O-N 3.41Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.2Å; Q820-K823 WeakPolarHBondContact O-CB 3.42Å; Q820-K823 PolarHBondContact O-N 3.11Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.44Å; Q820-D824 PolarHBondContact NE2-OD1 3.39Å; Q820-D824 PolarHBondContact NE2-OD2 3.41Å; Q820-D824 PolarHBondContact O-N 2.91Å |
| 821 | W | 90.8 | Very high | 84.6 | Confident | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -55.8 | -45.8 | 176.7 | 178 | 22.4 | 0 | 0 | 0 | 112.1 | I787 L790 F817 K823 D824 V825 F828 C837 L841 L844 | I787-W821 HydrophobicContact CD1-CD2 4.02Å; I787-W821 VanDerWaalsContact CD1-CE2 3.45Å; I787-W821 HydrophobicContact CD1-CG 4.29Å; I787-W821 HydrophobicContact CD1-CZ2 3.77Å; I787-W821 VanDerWaalsContact CD1-NE1 3.34Å; I787-W821 HydrophobicContact CG1-CD2 4.11Å; I787-W821 HydrophobicContact CG1-CE3 4.37Å; I787-W821 HydrophobicContact CG1-CH2 4.07Å; I787-W821 HydrophobicContact CG1-CZ2 3.8Å; I787-W821 HydrophobicContact CG1-CZ3 4.32Å; I787-W821 HydrophobicContact CG2-CH2 4.46Å; I787-W821 HydrophobicContact CG2-CZ2 4.28Å; L790-W821 HydrophobicContact CD2-CH2 4.36Å; L790-W821 HydrophobicContact CD2-CZ3 4.27Å; F817-W821 AromaticContact CE1-CE3 3.88Å; F817-W821 HydrophobicContact CE1-CE3 3.88Å; F817-W821 HydrophobicContact CE1-CZ3 4.3Å; F817-W821 HydrophobicContact CZ-CD2 4.39Å; F817-W821 AromaticContact CZ-CE3 3.83Å; F817-W821 HydrophobicContact CZ-CE3 3.83Å; F817-W821 HydrophobicContact CZ-CZ3 4.35Å; F817-W821 WeakPolarHBondContact O-CB 3.44Å; F817-W821 PolarHBondContact O-N 3.2Å; W821-K823 VanDerWaalsContact C-N 3.28Å; W821-K823 PolarHBondContact O-N 3.44Å; W821-D824 PolarHBondContact O-N 2.99Å; W821-V825 WeakPolarHBondContact O-CG2 3.28Å; W821-V825 PolarHBondContact O-N 2.89Å; W821-F828 AromaticContact CD1-CE2 3.99Å; W821-C837 PolarHBondContact NE1-SG 3.15Å; W821-L841 HydrophobicContact CH2-CD2 3.85Å; W821-L841 HydrophobicContact CH2-CG 4.11Å; W821-L841 HydrophobicContact CZ2-CD2 3.79Å; W821-L841 HydrophobicContact CZ2-CG 3.82Å; W821-L841 HydrophobicContact CZ3-CD2 4.42Å; W821-L844 HydrophobicContact CE3-CD1 4.15Å; W821-L844 HydrophobicContact CH2-CD1 4.05Å; W821-L844 HydrophobicContact CH2-CG 4.38Å; W821-L844 HydrophobicContact CZ3-CD1 3.39Å; W821-L844 HydrophobicContact CZ3-CG 3.95Å |
| 822 | L | 89.3 | Confident | 85.4 | Confident | 23 Ų | 23 | 36 Ų | 36 | 12% | 0.12 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -68.7 | -24.2 | 177.5 | -73.1 | 177.4 | 0 | 0 | 0 | 114.3 | I818 Q820 V825 L841 V857 Q860 L861 A864 | I818-L822 HydrophobicContact CG2-CD1 4.16Å; I818-L822 WeakPolarHBondContact O-CB 3.45Å; I818-L822 WeakPolarHBondContact O-CG 3.05Å; I818-L822 PolarHBondContact O-N 3.11Å; Q820-L822 VanDerWaalsContact C-N 3.32Å; Q820-L822 PolarHBondContact O-N 3.2Å; L822-V825 HydrophobicContact CD2-CG2 4.32Å; L822-L841 HydrophobicContact CD2-CD2 4.35Å; L822-V857 HydrophobicContact CD1-CB 3.65Å; L822-V857 HydrophobicContact CD1-CG1 4.11Å; L822-V857 HydrophobicContact CD1-CG2 3.74Å; L822-Q860 HydrophobicContact CD1-CB 4.3Å; L822-L861 HydrophobicContact CD1-CD2 4.28Å; L822-L861 HydrophobicContact CD2-CD2 4.17Å; L822-A864 HydrophobicContact CD2-CB 3.95Å |
| 823 | K | 88.4 | Confident | 86.1 | Confident | 145 Ų | 145 | 33.6 Ų | 33.6 | 63% | 0.63 | 17% | 0.173 | S | C | * | . | H | α-helix | trans | -76.6 | -35.5 | 177.1 | -172.7 | -173 | 173.1 | -162.2 | 0 | 111.8 | T819 Q820 W821 | T819-K823 WeakPolarHBondContact O-CB 3.43Å; T819-K823 PolarHBondContact O-N 3.44Å; T819-K823 VanDerWaalsContact O-N 3.08Å; Q820-K823 WeakPolarHBondContact O-CB 3.42Å; Q820-K823 PolarHBondContact O-N 3.11Å; W821-K823 VanDerWaalsContact C-N 3.28Å; W821-K823 PolarHBondContact O-N 3.44Å |
| 824 | D | 88.3 | Confident | 86.4 | Confident | 6 Ų | 6 | 34.1 Ų | 34.1 | 3% | 0.032 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -100 | 19.2 | -175.5 | -53 | -44.2 | 0 | 0 | 0 | 112.6 | R779 Q820 W821 D826 C827 F828 | R779-D824 WeakPolarHBondContact CD-OD2 3.5Å; R779-D824 IonicContact NH1-OD1 2.88Å; R779-D824 PolarHBondContact NH1-OD1 3.44Å; R779-D824 IonicContact NH1-OD2 3.62Å; Q820-D824 WeakPolarHBondContact CG-OD2 3.44Å; Q820-D824 PolarHBondContact NE2-OD1 3.39Å; Q820-D824 PolarHBondContact NE2-OD2 3.41Å; Q820-D824 PolarHBondContact O-N 2.91Å; W821-D824 PolarHBondContact O-N 2.99Å; D824-D826 VanDerWaalsContact C-N 3.27Å; D824-D826 PolarHBondContact O-N 3.11Å; D824-C827 HydrophobicContact CB-CB 4.41Å; D824-C827 WeakPolarHBondContact O-CB 3.09Å; D824-C827 PolarHBondContact O-N 3.3Å; D824-C827 VanDerWaalsContact O-N 3.09Å; D824-F828 WeakPolarHBondContact O-CD2 3.4Å; D824-F828 WeakPolarHBondContact O-CE2 3.25Å |
| 825 | V | 88.1 | Confident | 86.7 | Confident | 7 Ų | 7 | 34 Ų | 34 | 4% | 0.042 | 17% | 0.173 | C | C | . | . | G | 310 helix | trans | -61.6 | -36.1 | -177.3 | 172.4 | 0 | 0 | 0 | 0 | 112.3 | W821 L822 C827 F828 A864 L867 L868 | W821-V825 WeakPolarHBondContact O-CG2 3.28Å; W821-V825 PolarHBondContact O-N 2.89Å; L822-V825 HydrophobicContact CD2-CG2 4.32Å; V825-C827 VanDerWaalsContact C-N 3.26Å; V825-C827 PolarHBondContact O-N 2.85Å; V825-F828 PolarHBondContact O-N 2.96Å; V825-A864 HydrophobicContact CG1-CB 4.08Å; V825-A864 HydrophobicContact CG2-CB 4.04Å; V825-L867 HydrophobicContact CG1-CD2 4.25Å; V825-L868 HydrophobicContact CG1-CD1 3.89Å; V825-L868 HydrophobicContact CG1-CD2 3.8Å; V825-L868 HydrophobicContact CG1-CG 3.62Å |
| 826 | D | 85.9 | Confident | 87.1 | Confident | 105 Ų | 105 | 31.4 Ų | 31.4 | 56% | 0.561 | 16% | 0.159 | S | C | * | . | G | 310 helix | trans | -67.9 | -23.2 | 176 | 52.6 | -20.1 | 0 | 0 | 0 | 113 | D824 F828 L867 | D824-D826 VanDerWaalsContact C-N 3.27Å; D824-D826 PolarHBondContact O-N 3.11Å; D826-F828 VanDerWaalsContact C-N 3.31Å; D826-F828 PolarHBondContact O-N 2.86Å; D826-L867 HydrophobicContact CB-CD2 4.15Å |
| 827 | C | 85.9 | Confident | 87.6 | Confident | 35 Ų | 35 | 26.9 Ų | 26.9 | 24% | 0.236 | 14% | 0.138 | C | C | . | . | G | 310 helix | trans | -80.7 | -4 | 176.9 | -55.3 | 0 | 0 | 0 | 0 | 114.3 | T780 D824 V825 L829 | T780-C827 HydrophobicContact CG2-CB 3.82Å; D824-C827 HydrophobicContact CB-CB 4.41Å; D824-C827 WeakPolarHBondContact O-CB 3.09Å; D824-C827 PolarHBondContact O-N 3.3Å; D824-C827 VanDerWaalsContact O-N 3.09Å; V825-C827 VanDerWaalsContact C-N 3.26Å; V825-C827 PolarHBondContact O-N 2.85Å; C827-L829 PolarHBondContact O-N 3.29Å |
| 828 | F | 84.9 | Confident | 87.8 | Confident | 2 Ų | 2 | 26.7 Ų | 26.7 | 1% | 0.009 | 14% | 0.137 | C | C | . | . | trans | -80.8 | 97.2 | 174 | -71.9 | -104.1 | 0 | 0 | 0 | 108.8 | T780 L783 Q784 I787 W821 D824 V825 D826 D833 R834 C837 L868 | T780-F828 HydrophobicContact CG2-CD2 3.98Å; T780-F828 HydrophobicContact CG2-CE1 4.48Å; T780-F828 HydrophobicContact CG2-CE2 3.88Å; T780-F828 HydrophobicContact CG2-CG 4.32Å; T780-F828 HydrophobicContact CG2-CZ 4.13Å; L783-F828 HydrophobicContact CB-CZ 4.41Å; Q784-F828 HydrophobicContact CG-CD1 4.46Å; Q784-F828 HydrophobicContact CG-CE1 3.73Å; I787-F828 HydrophobicContact CD1-CE1 4.05Å; I787-F828 HydrophobicContact CD1-CZ 3.95Å; W821-F828 AromaticContact CD1-CE2 3.99Å; D824-F828 WeakPolarHBondContact O-CD2 3.4Å; D824-F828 WeakPolarHBondContact O-CE2 3.25Å; V825-F828 PolarHBondContact O-N 2.96Å; D826-F828 VanDerWaalsContact C-N 3.31Å; D826-F828 PolarHBondContact O-N 2.86Å; F828-D833 HydrophobicContact CB-CB 4.36Å; F828-D833 HydrophobicContact CD1-CB 4.08Å; F828-R834 HydrophobicContact CB-CG 4.34Å; F828-R834 WeakPolarHBondContact O-CG 3.44Å; F828-R834 PolarHBondContact O-NE 3.12Å; F828-C837 HydrophobicContact CD1-CB 4.04Å; F828-C837 HydrophobicContact CE1-CB 4.31Å; F828-C837 HydrophobicContact CG-CB 4.38Å; F828-L868 HydrophobicContact CB-CD2 4.16Å | ||
| 829 | L | 80.8 | Confident | 88 | Confident | 68 Ų | 68 | 26.6 Ų | 26.6 | 36% | 0.356 | 14% | 0.137 | S | C | . | . | trans | -94.5 | -31.2 | -173.7 | -58.9 | 179.8 | 0 | 0 | 0 | 112.9 | C827 R834 | C827-L829 PolarHBondContact O-N 3.29Å; L829-R834 PolarHBondContact O-NE 2.67Å; L829-R834 PolarHBondContact O-NH1 3.03Å; L829-R834 PolarHBondContact O-NH2 3.14Å | ||
| 830 | G | 81.3 | Confident | 88.3 | Confident | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.115 | C | C | . | . | S | Bend | trans | -70.9 | 157.2 | -177.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D833 R834 E944 | G830-D833 PolarHBondContact N-OD2 2.95Å; G830-D833 WeakPolarHBondContact O-CB 3.35Å; G830-D833 PolarHBondContact O-N 3.05Å; G830-R834 WeakPolarHBondContact O-CB 3.36Å; G830-R834 WeakPolarHBondContact O-CD 3.2Å; G830-R834 VanDerWaalsContact O-CG 3.22Å; G830-R834 WeakPolarHBondContact O-CG 3.26Å; G830-R834 PolarHBondContact O-N 2.91Å; G830-E944 VanDerWaalsContact C-OE1 3.31Å; G830-E944 WeakPolarHBondContact CA-OE1 3.47Å |
| 831 | L | 84.5 | Confident | 88.5 | Confident | 13 Ų | 13 | 21.1 Ų | 21.1 | 7% | 0.068 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -64.7 | -50.2 | 174.8 | -173.3 | 155.2 | 0 | 0 | 0 | 110 | D833 K835 L872 A875 Y876 E944 | L831-D833 VanDerWaalsContact C-N 3.29Å; L831-D833 PolarHBondContact O-N 3.47Å; L831-K835 WeakPolarHBondContact O-CB 3.5Å; L831-K835 PolarHBondContact O-N 3.09Å; L831-K835 VanDerWaalsContact O-N 3.11Å; L831-L872 HydrophobicContact CD2-CD1 4.5Å; L831-L872 HydrophobicContact CG-CD1 4.03Å; L831-A875 HydrophobicContact CD1-CB 4.5Å; L831-Y876 HydrophobicContact CD1-CD1 3.74Å; L831-Y876 HydrophobicContact CD1-CE1 3.69Å; L831-Y876 HydrophobicContact CD1-CG 4.49Å; L831-Y876 HydrophobicContact CD2-CE1 3.93Å; L831-Y876 HydrophobicContact CG-CE1 4.1Å; L831-E944 WeakPolarHBondContact CB-OE2 3.44Å; L831-E944 VanDerWaalsContact N-CD 3.31Å; L831-E944 PolarHBondContact N-OE1 3.25Å; L831-E944 PolarHBondContact N-OE2 3.06Å |
| 832 | H | 88.6 | Confident | 88.6 | Confident | 6 Ų | 6 | 21.2 Ų | 21.2 | 3% | 0.028 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -57.5 | -44.5 | 172.2 | 176.5 | 85.3 | 0 | 0 | 0 | 111.4 | K740 E743 R834 K835 M836 E944 T948 D951 | K740-H832 PolarHBondContact NZ-CD2 3.39Å; K740-H832 PolarHBondContact NZ-NE2 2.85Å; E743-H832 IonicContact OE1-NE2 3Å; E743-H832 IonicContact OE2-NE2 2.84Å; H832-R834 PolarHBondContact O-N 2.8Å; H832-K835 WeakPolarHBondContact O-CB 3.3Å; H832-K835 PolarHBondContact O-N 2.98Å; H832-M836 VanDerWaalsContact NE2-CG 3.34Å; H832-M836 WeakPolarHBondContact NE2-CG 3.16Å; H832-M836 WeakPolarHBondContact O-CB 3.45Å; H832-M836 PolarHBondContact O-N 3.42Å; H832-E944 PolarHBondContact N-OE2 2.95Å; H832-E944 VanDerWaalsContact N-OE2 3.12Å; H832-T948 PolarHBondContact CE1-OG1 3.14Å; H832-D951 IonicContact CE1-OD1 3.67Å; H832-D951 IonicContact CE1-OD2 3.4Å; H832-D951 PolarHBondContact CE1-OD2 3.41Å; H832-D951 VanDerWaalsContact CE1-OD2 3.28Å; H832-D951 IonicContact CG-OD1 3.88Å; H832-D951 IonicContact ND1-OD1 3.71Å; H832-D951 PolarHBondContact ND1-OD1 2.89Å; H832-D951 IonicContact ND1-OD2 3.71Å; H832-D951 PolarHBondContact ND1-OD2 3.13Å |
| 833 | D | 88.8 | Confident | 88.7 | Confident | 4 Ų | 4 | 21 Ų | 21 | 2% | 0.021 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -61 | -47.9 | -175.2 | -65.4 | -6.1 | 0 | 0 | 0 | 112.6 | M781 Q784 F828 G830 L831 M836 C837 | M781-D833 WeakPolarHBondContact CE-OD2 3.37Å; Q784-D833 PolarHBondContact NE2-OD1 3.44Å; F828-D833 HydrophobicContact CB-CB 4.36Å; F828-D833 HydrophobicContact CD1-CB 4.08Å; G830-D833 PolarHBondContact N-OD2 2.95Å; G830-D833 WeakPolarHBondContact O-CB 3.35Å; G830-D833 PolarHBondContact O-N 3.05Å; L831-D833 VanDerWaalsContact C-N 3.29Å; L831-D833 PolarHBondContact O-N 3.47Å; D833-M836 PolarHBondContact O-N 3.19Å; D833-C837 VanDerWaalsContact O-CB 3.22Å; D833-C837 WeakPolarHBondContact O-CB 3.36Å; D833-C837 PolarHBondContact O-N 2.97Å |
| 834 | R | 90.1 | Very high | 88.8 | Confident | 18 Ų | 18 | 14.4 Ų | 14.4 | 7% | 0.068 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -64.2 | -42.4 | 177.2 | -70.9 | 168.1 | 178.6 | 147.9 | -5.5 | 110.4 | F828 L829 G830 H832 C837 I838 L868 L872 D937 | F828-R834 HydrophobicContact CB-CG 4.34Å; F828-R834 WeakPolarHBondContact O-CG 3.44Å; F828-R834 PolarHBondContact O-NE 3.12Å; L829-R834 PolarHBondContact O-NE 2.67Å; L829-R834 PolarHBondContact O-NH1 3.03Å; L829-R834 PolarHBondContact O-NH2 3.14Å; G830-R834 WeakPolarHBondContact O-CB 3.36Å; G830-R834 WeakPolarHBondContact O-CD 3.2Å; G830-R834 VanDerWaalsContact O-CG 3.22Å; G830-R834 WeakPolarHBondContact O-CG 3.26Å; G830-R834 PolarHBondContact O-N 2.91Å; H832-R834 PolarHBondContact O-N 2.8Å; R834-C837 PolarHBondContact O-N 3.23Å; R834-I838 WeakPolarHBondContact O-CD1 3.33Å; R834-I838 VanDerWaalsContact O-CG1 3.27Å; R834-I838 WeakPolarHBondContact O-CG1 3.49Å; R834-I838 PolarHBondContact O-N 3.1Å; R834-L868 HydrophobicContact CB-CD2 4.41Å; R834-L868 HydrophobicContact CG-CD2 4.13Å; R834-L872 HydrophobicContact CB-CB 4.45Å; R834-L872 HydrophobicContact CB-CD1 4.2Å; R834-D937 PolarHBondContact NH2-O 3.46Å |
| 835 | K | 90.5 | Very high | 88.8 | Confident | 8 Ų | 8 | 14.2 Ų | 14.2 | 4% | 0.035 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -60.7 | -49.9 | 176.5 | -175.2 | 179.8 | -174 | 178 | 0 | 111.7 | L831 H832 C837 I838 L839 V950 V957 E959 | L831-K835 WeakPolarHBondContact O-CB 3.5Å; L831-K835 PolarHBondContact O-N 3.09Å; L831-K835 VanDerWaalsContact O-N 3.11Å; H832-K835 WeakPolarHBondContact O-CB 3.3Å; H832-K835 PolarHBondContact O-N 2.98Å; K835-C837 VanDerWaalsContact C-N 3.33Å; K835-C837 PolarHBondContact O-N 3.49Å; K835-I838 PolarHBondContact O-N 3.31Å; K835-L839 HydrophobicContact CG-CD1 4.38Å; K835-L839 WeakPolarHBondContact O-CG 3.39Å; K835-L839 PolarHBondContact O-N 3.41Å; K835-V950 HydrophobicContact CD-CG1 4.14Å; K835-V950 PolarHBondContact NZ-O 3.26Å; K835-V957 WeakPolarHBondContact CE-O 3.31Å; K835-V957 PolarHBondContact NZ-O 2.8Å; K835-V957 VanDerWaalsContact NZ-O 3.16Å; K835-E959 VanDerWaalsContact CE-OE2 3.24Å; K835-E959 WeakPolarHBondContact CE-OE2 3.44Å; K835-E959 HydrophobicContact CG-CB 4.26Å; K835-E959 HydrophobicContact CG-CG 4.29Å |
| 836 | M | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 16.8 Ų | 16.8 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -61.8 | -41.5 | 178 | -80.7 | -52.8 | -58.3 | 0 | 0 | 112.1 | L747 I787 A788 H832 D833 I838 L839 G840 V950 | L747-M836 HydrophobicContact CD1-CE 3.91Å; L747-M836 HydrophobicContact CD1-SD 3.85Å; L747-M836 HydrophobicContact CD2-CE 3.75Å; L747-M836 HydrophobicContact CD2-SD 4.32Å; L747-M836 HydrophobicContact CG-CE 4.42Å; I787-M836 VanDerWaalsContact CG2-O 3.29Å; I787-M836 WeakPolarHBondContact CG2-O 3.44Å; A788-M836 HydrophobicContact CB-CE 4.06Å; H832-M836 VanDerWaalsContact NE2-CG 3.34Å; H832-M836 WeakPolarHBondContact NE2-CG 3.16Å; H832-M836 WeakPolarHBondContact O-CB 3.45Å; H832-M836 PolarHBondContact O-N 3.42Å; D833-M836 PolarHBondContact O-N 3.19Å; M836-I838 PolarHBondContact O-N 3.41Å; M836-L839 PolarHBondContact O-N 3Å; M836-L839 HydrophobicContact SD-CD1 4.28Å; M836-G840 PolarHBondContact O-N 2.88Å; M836-V950 HydrophobicContact SD-CB 4.29Å; M836-V950 HydrophobicContact SD-CG1 3.98Å; M836-V950 HydrophobicContact SD-CG2 4.08Å |
| 837 | C | 92.6 | Very high | 89.1 | Confident | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -60.2 | -44.9 | 174.9 | -166.1 | 0 | 0 | 0 | 0 | 111.8 | W821 F828 D833 R834 K835 G840 L841 L868 | W821-C837 PolarHBondContact NE1-SG 3.15Å; F828-C837 HydrophobicContact CD1-CB 4.04Å; F828-C837 HydrophobicContact CE1-CB 4.31Å; F828-C837 HydrophobicContact CG-CB 4.38Å; D833-C837 VanDerWaalsContact O-CB 3.22Å; D833-C837 WeakPolarHBondContact O-CB 3.36Å; D833-C837 PolarHBondContact O-N 2.97Å; R834-C837 PolarHBondContact O-N 3.23Å; K835-C837 VanDerWaalsContact C-N 3.33Å; K835-C837 PolarHBondContact O-N 3.49Å; C837-G840 PolarHBondContact O-N 3.48Å; C837-L841 WeakPolarHBondContact O-CG 3.28Å; C837-L841 PolarHBondContact O-N 2.88Å; C837-L868 HydrophobicContact CB-CD1 3.85Å; C837-L868 HydrophobicContact CB-CD2 4.25Å; C837-L868 WeakPolarHBondContact SG-CD1 3.4Å |
| 838 | I | 92.8 | Very high | 88.9 | Confident | 1 Ų | 1 | 16.6 Ų | 16.6 | 1% | 0.005 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -62.2 | -45.4 | 175.5 | -70 | 160.7 | 0 | 0 | 0 | 111.7 | R834 K835 M836 G840 L841 C842 L868 F869 L872 E959 | R834-I838 WeakPolarHBondContact O-CD1 3.33Å; R834-I838 VanDerWaalsContact O-CG1 3.27Å; R834-I838 WeakPolarHBondContact O-CG1 3.49Å; R834-I838 PolarHBondContact O-N 3.1Å; K835-I838 PolarHBondContact O-N 3.31Å; M836-I838 PolarHBondContact O-N 3.41Å; I838-G840 VanDerWaalsContact C-N 3.29Å; I838-G840 PolarHBondContact O-N 3.11Å; I838-L841 PolarHBondContact O-N 3.4Å; I838-C842 WeakPolarHBondContact O-CB 3.47Å; I838-C842 PolarHBondContact O-N 3.24Å; I838-C842 PolarHBondContact O-SG 3.42Å; I838-L868 HydrophobicContact CD1-CB 3.85Å; I838-L868 HydrophobicContact CG1-CB 3.67Å; I838-L868 HydrophobicContact CG1-CD1 3.99Å; I838-L868 HydrophobicContact CG1-CG 4.48Å; I838-F869 HydrophobicContact CD1-CD1 3.71Å; I838-F869 HydrophobicContact CD1-CD2 4.39Å; I838-F869 HydrophobicContact CD1-CE1 3.81Å; I838-F869 HydrophobicContact CD1-CE2 4.44Å; I838-F869 HydrophobicContact CD1-CG 4.04Å; I838-F869 HydrophobicContact CD1-CZ 4.18Å; I838-F869 HydrophobicContact CG1-CZ 4.5Å; I838-F869 HydrophobicContact CG2-CE1 4.05Å; I838-F869 HydrophobicContact CG2-CE2 3.92Å; I838-F869 HydrophobicContact CG2-CZ 3.49Å; I838-F869 VanDerWaalsContact CG2-CZ 3.49Å; I838-L872 HydrophobicContact CD1-CD2 3.87Å; I838-E959 HydrophobicContact CD1-CG 4.5Å; I838-E959 HydrophobicContact CG2-CB 4.04Å |
| 839 | L | 91.9 | Very high | 88.7 | Confident | 2 Ų | 2 | 24.6 Ų | 24.6 | 1% | 0.01 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -63.4 | -37 | 178 | -68.6 | 176.8 | 0 | 0 | 0 | 111.7 | Y791 K835 M836 C842 A843 V950 V957 E959 I962 | Y791-L839 HydrophobicContact CD2-CB 3.97Å; Y791-L839 HydrophobicContact CE2-CB 4.17Å; Y791-L839 HydrophobicContact CE2-CD1 4.19Å; Y791-L839 HydrophobicContact CE2-CD2 4.34Å; Y791-L839 HydrophobicContact CE2-CG 4.47Å; K835-L839 HydrophobicContact CG-CD1 4.38Å; K835-L839 WeakPolarHBondContact O-CG 3.39Å; K835-L839 PolarHBondContact O-N 3.41Å; M836-L839 PolarHBondContact O-N 3Å; M836-L839 HydrophobicContact SD-CD1 4.28Å; L839-C842 WeakPolarHBondContact O-CB 3.4Å; L839-C842 PolarHBondContact O-N 3Å; L839-A843 PolarHBondContact O-N 3.1Å; L839-V950 HydrophobicContact CD1-CG1 3.67Å; L839-V957 HydrophobicContact CD1-CG1 3.9Å; L839-V957 HydrophobicContact CD2-CG1 4.07Å; L839-E959 HydrophobicContact CD2-CB 4.23Å; L839-I962 HydrophobicContact CD2-CB 4.47Å; L839-I962 HydrophobicContact CD2-CD1 3.71Å; L839-I962 HydrophobicContact CD2-CG2 4.27Å |
| 840 | G | 91.9 | Very high | 88.9 | Confident | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -60.3 | -51.2 | 170.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | L790 M836 C837 I838 C842 A843 L844 | L790-G840 WeakPolarHBondContact CD2-O 3.31Å; M836-G840 PolarHBondContact O-N 2.88Å; C837-G840 PolarHBondContact O-N 3.48Å; I838-G840 VanDerWaalsContact C-N 3.29Å; I838-G840 PolarHBondContact O-N 3.11Å; G840-C842 VanDerWaalsContact C-N 3.27Å; G840-C842 PolarHBondContact O-N 3.46Å; G840-A843 WeakPolarHBondContact O-CB 3.47Å; G840-A843 PolarHBondContact O-N 3.45Å; G840-A843 VanDerWaalsContact O-N 3.09Å; G840-L844 PolarHBondContact O-N 2.81Å |
| 841 | L | 92.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 25.6 Ų | 25.6 | 1% | 0.005 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -60.7 | -40.1 | 178.7 | -70.6 | 177.6 | 0 | 0 | 0 | 111 | W821 L822 C837 I838 A843 L844 I845 L861 A864 A865 L868 | W821-L841 HydrophobicContact CH2-CD2 3.85Å; W821-L841 HydrophobicContact CH2-CG 4.11Å; W821-L841 HydrophobicContact CZ2-CD2 3.79Å; W821-L841 HydrophobicContact CZ2-CG 3.82Å; W821-L841 HydrophobicContact CZ3-CD2 4.42Å; L822-L841 HydrophobicContact CD2-CD2 4.35Å; C837-L841 WeakPolarHBondContact O-CG 3.28Å; C837-L841 PolarHBondContact O-N 2.88Å; I838-L841 PolarHBondContact O-N 3.4Å; L841-A843 VanDerWaalsContact C-N 3.35Å; L841-A843 PolarHBondContact O-N 3.11Å; L841-L844 PolarHBondContact O-N 3.47Å; L841-I845 WeakPolarHBondContact O-CB 3.46Å; L841-I845 WeakPolarHBondContact O-CD1 3.48Å; L841-I845 WeakPolarHBondContact O-CG1 3.25Å; L841-I845 PolarHBondContact O-N 3.23Å; L841-L861 HydrophobicContact CD2-CD2 4.01Å; L841-A864 HydrophobicContact CD1-CB 4.13Å; L841-A865 HydrophobicContact CD1-CB 4.07Å; L841-L868 HydrophobicContact CD1-CD1 3.76Å |
| 842 | C | 92.4 | Very high | 88.8 | Confident | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.014 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -55.9 | -48.1 | 171.8 | -74.5 | 0 | 0 | 0 | 0 | 111.8 | I838 L839 G840 L844 I845 D846 I962 I966 | I838-C842 WeakPolarHBondContact O-CB 3.47Å; I838-C842 PolarHBondContact O-N 3.24Å; I838-C842 PolarHBondContact O-SG 3.42Å; L839-C842 WeakPolarHBondContact O-CB 3.4Å; L839-C842 PolarHBondContact O-N 3Å; G840-C842 VanDerWaalsContact C-N 3.27Å; G840-C842 PolarHBondContact O-N 3.46Å; C842-L844 PolarHBondContact O-N 3.17Å; C842-I845 PolarHBondContact O-N 2.6Å; C842-D846 WeakPolarHBondContact O-CB 3.29Å; C842-D846 PolarHBondContact O-N 3.44Å; C842-I962 HydrophobicContact CB-CG2 4.32Å; C842-I966 HydrophobicContact CB-CD1 3.56Å |
| 843 | A | 91.3 | Very high | 88.5 | Confident | 19 Ų | 19 | 32.7 Ų | 32.7 | 16% | 0.157 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -37.7 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | L790 L839 G840 L841 L847 | L790-A843 HydrophobicContact CD2-CB 4.08Å; L790-A843 HydrophobicContact CG-CB 3.93Å; L839-A843 PolarHBondContact O-N 3.1Å; G840-A843 WeakPolarHBondContact O-CB 3.47Å; G840-A843 PolarHBondContact O-N 3.45Å; G840-A843 VanDerWaalsContact O-N 3.09Å; L841-A843 VanDerWaalsContact C-N 3.35Å; L841-A843 PolarHBondContact O-N 3.11Å; A843-L847 WeakPolarHBondContact O-CG 3.39Å |
| 844 | L | 89.8 | Confident | 88.3 | Confident | 5 Ų | 5 | 32.5 Ų | 32.5 | 3% | 0.026 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -64.4 | -43.4 | 172.7 | -72.7 | -170.6 | 0 | 0 | 0 | 112.3 | L790 W821 G840 L841 C842 D846 L847 I854 L861 | L790-L844 HydrophobicContact CD1-CD2 3.87Å; L790-L844 HydrophobicContact CD2-CD2 3.43Å; L790-L844 VanDerWaalsContact CD2-CD2 3.43Å; L790-L844 HydrophobicContact CD2-CG 3.52Å; L790-L844 HydrophobicContact CG-CD2 4.32Å; W821-L844 HydrophobicContact CE3-CD1 4.15Å; W821-L844 HydrophobicContact CH2-CD1 4.05Å; W821-L844 HydrophobicContact CH2-CG 4.38Å; W821-L844 HydrophobicContact CZ3-CD1 3.39Å; W821-L844 HydrophobicContact CZ3-CG 3.95Å; G840-L844 PolarHBondContact O-N 2.81Å; L841-L844 PolarHBondContact O-N 3.47Å; C842-L844 PolarHBondContact O-N 3.17Å; L844-D846 VanDerWaalsContact C-N 3.32Å; L844-D846 PolarHBondContact O-N 2.96Å; L844-L847 HydrophobicContact CD2-CD1 4.25Å; L844-L847 WeakPolarHBondContact O-CB 3.39Å; L844-L847 WeakPolarHBondContact O-CG 3.35Å; L844-L847 PolarHBondContact O-N 3.23Å; L844-I854 HydrophobicContact CD2-CD1 3.81Å; L844-L861 HydrophobicContact CD1-CD2 4.43Å |
| 845 | I | 89.9 | Confident | 88 | Confident | 3 Ų | 3 | 35.5 Ų | 35.5 | 2% | 0.015 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -66.1 | -36.5 | -176.9 | -75.2 | 168.5 | 0 | 0 | 0 | 110.6 | L841 C842 L847 L861 L862 I966 I970 W977 L981 | L841-I845 WeakPolarHBondContact O-CB 3.46Å; L841-I845 WeakPolarHBondContact O-CD1 3.48Å; L841-I845 WeakPolarHBondContact O-CG1 3.25Å; L841-I845 PolarHBondContact O-N 3.23Å; C842-I845 PolarHBondContact O-N 2.6Å; I845-L847 VanDerWaalsContact C-N 3.34Å; I845-L847 PolarHBondContact O-N 2.9Å; I845-L861 HydrophobicContact CD1-CB 4.38Å; I845-L861 HydrophobicContact CG1-CB 4.45Å; I845-L861 HydrophobicContact CG1-CD1 4.12Å; I845-L862 HydrophobicContact CD1-CD2 4.31Å; I845-I966 HydrophobicContact CB-CG2 4.48Å; I845-I966 HydrophobicContact CG2-CG2 3.8Å; I845-I970 HydrophobicContact CB-CD1 4.36Å; I845-I970 HydrophobicContact CG2-CD1 3.12Å; I845-I970 WeakPolarHBondContact O-CD1 3.4Å; I845-W977 PolarHBondContact O-NE1 3.16Å; I845-L981 HydrophobicContact CG2-CD1 4.06Å |
| 846 | D | 90.8 | Very high | 87.7 | Confident | 60 Ų | 60 | 41.9 Ų | 41.9 | 32% | 0.321 | 21% | 0.209 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -81.9 | -0.6 | -178 | -161.2 | 29.1 | 0 | 0 | 0 | 115.1 | C842 L844 D848 I966 R973 | C842-D846 WeakPolarHBondContact O-CB 3.29Å; C842-D846 PolarHBondContact O-N 3.44Å; L844-D846 VanDerWaalsContact C-N 3.32Å; L844-D846 PolarHBondContact O-N 2.96Å; D846-D848 PolarHBondContact O-N 3.01Å; D846-I966 HydrophobicContact CB-CD1 4.37Å; D846-I966 HydrophobicContact CB-CG1 4.39Å; D846-I966 HydrophobicContact CB-CG2 3.93Å; D846-R973 PolarHBondContact O-NH2 3.48Å; D846-R973 IonicContact OD1-CZ 2.91Å; D846-R973 IonicContact OD1-NH1 2.83Å; D846-R973 PolarHBondContact OD1-NH1 3.47Å; D846-R973 IonicContact OD1-NH2 3.42Å; D846-R973 PolarHBondContact OD1-NH2 2.84Å |
| 847 | L | 88.4 | Confident | 87.5 | Confident | 21 Ų | 21 | 42.6 Ų | 42.6 | 11% | 0.11 | 21% | 0.213 | C | C | . | . | trans | -60.3 | 125.1 | -179.6 | -73.9 | 174.2 | 0 | 0 | 0 | 113.3 | P794 L798 A843 L844 I845 R850 I854 | P794-L847 HydrophobicContact CB-CD2 3.61Å; P794-L847 HydrophobicContact CG-CD2 4.49Å; L798-L847 HydrophobicContact CD1-CD1 4.04Å; L798-L847 HydrophobicContact CD1-CD2 4.07Å; A843-L847 WeakPolarHBondContact O-CG 3.39Å; L844-L847 HydrophobicContact CD2-CD1 4.25Å; L844-L847 WeakPolarHBondContact O-CB 3.39Å; L844-L847 WeakPolarHBondContact O-CG 3.35Å; L844-L847 PolarHBondContact O-N 3.23Å; I845-L847 VanDerWaalsContact C-N 3.34Å; I845-L847 PolarHBondContact O-N 2.9Å; L847-R850 HydrophobicContact CB-CG 3.98Å; L847-I854 HydrophobicContact CD1-CD1 3.46Å; L847-I854 VanDerWaalsContact CD1-CD1 3.46Å | ||
| 848 | D | 80.8 | Confident | 87 | Confident | 116 Ų | 116 | 42.7 Ų | 42.7 | 62% | 0.62 | 21% | 0.214 | S | C | * | . | S | Bend | trans | -68.2 | -35.6 | 172.4 | -70.2 | -34.1 | 0 | 0 | 0 | 112.3 | D846 R973 | D846-D848 PolarHBondContact O-N 3.01Å; D848-R973 IonicContact OD1-CZ 2.77Å; D848-R973 IonicContact OD1-NE 3.94Å; D848-R973 IonicContact OD1-NH1 3.59Å; D848-R973 PolarHBondContact OD1-NH1 3.19Å |
| 849 | H | 82 | Confident | 86.7 | Confident | 170 Ų | 170 | 43.7 Ų | 43.7 | 79% | 0.787 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -120.2 | 98 | 178.5 | -66.5 | -41.1 | 0 | 0 | 0 | 110.7 | ||
| 850 | R | 83.9 | Confident | 86.6 | Confident | 64 Ų | 64 | 48.9 Ų | 48.9 | 24% | 0.242 | 25% | 0.249 | C | C | . | . | trans | -87.7 | 125.2 | -176.1 | -73.4 | 166.2 | -77.2 | 157.3 | -6 | 112.4 | L847 I854 N855 D974 | L847-R850 HydrophobicContact CB-CG 3.98Å; R850-I854 HydrophobicContact CG-CG2 4.38Å; R850-N855 PolarHBondContact NH1-OD1 2.99Å; R850-D974 IonicContact CZ-OD2 3.6Å; R850-D974 IonicContact NH2-OD2 2.77Å; R850-D974 PolarHBondContact NH2-OD2 2.97Å | ||
| 851 | P | 82.9 | Confident | 86.4 | Confident | 24 Ų | 24 | 48.9 Ų | 48.9 | 16% | 0.156 | 25% | 0.249 | C | C | . | . | trans | -54.6 | 155 | 165.8 | -25.8 | 33 | 0 | 0 | 0 | 112.8 | L798 A853 I854 N855 | L798-P851 HydrophobicContact CD1-CG 4.3Å; L798-P851 HydrophobicContact CD2-CG 3.83Å; P851-A853 PolarHBondContact O-N 3.49Å; P851-I854 HydrophobicContact CG-CD1 4.3Å; P851-I854 PolarHBondContact O-N 3.26Å; P851-N855 PolarHBondContact O-N 3.5Å; P851-N855 PolarHBondContact O-ND2 2.97Å | ||
| 852 | Q | 81.7 | Confident | 86.3 | Confident | 159 Ų | 159 | 48.8 Ų | 48.8 | 74% | 0.743 | 25% | 0.249 | S | C | * | . | H | α-helix | trans | -58.9 | -34.5 | 177.9 | -74.3 | -173.1 | -7.8 | 0 | 0 | 112.8 | I854 N855 Q856 | Q852-I854 PolarHBondContact O-N 3.26Å; Q852-N855 PolarHBondContact O-N 3.32Å; Q852-Q856 WeakPolarHBondContact O-CG 3.34Å; Q852-Q856 PolarHBondContact O-N 3.46Å |
| 853 | A | 81.9 | Confident | 86.3 | Confident | 10 Ų | 10 | 50.2 Ų | 50.2 | 8% | 0.083 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -56.6 | -46.5 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112 | N815 I818 P851 N855 Q856 V857 | N815-A853 HydrophobicContact CB-CB 4.15Å; N815-A853 WeakPolarHBondContact OD1-CB 3.28Å; I818-A853 HydrophobicContact CD1-CB 3.93Å; P851-A853 PolarHBondContact O-N 3.49Å; A853-N855 VanDerWaalsContact C-N 3.34Å; A853-N855 PolarHBondContact O-N 2.99Å; A853-Q856 WeakPolarHBondContact O-CB 3.3Å; A853-Q856 PolarHBondContact O-N 2.64Å; A853-Q856 VanDerWaalsContact O-N 3.15Å; A853-V857 PolarHBondContact O-N 3.46Å |
| 854 | I | 84.1 | Confident | 86.2 | Confident | 0 Ų | 0 | 49.9 Ų | 49.9 | 0% | 0 | 26% | 0.255 | C | S | . | . | H | α-helix | trans | -63.4 | -40.3 | 178.9 | -58.7 | -175.4 | 0 | 0 | 0 | 111.5 | I818 L844 L847 R850 P851 Q852 Q856 V857 G858 L861 W977 | I818-I854 HydrophobicContact CD1-CD1 4.47Å; I818-I854 HydrophobicContact CD1-CG1 3.67Å; L844-I854 HydrophobicContact CD2-CD1 3.81Å; L847-I854 HydrophobicContact CD1-CD1 3.46Å; L847-I854 VanDerWaalsContact CD1-CD1 3.46Å; R850-I854 HydrophobicContact CG-CG2 4.38Å; P851-I854 HydrophobicContact CG-CD1 4.3Å; P851-I854 PolarHBondContact O-N 3.26Å; Q852-I854 PolarHBondContact O-N 3.26Å; I854-Q856 PolarHBondContact O-N 2.82Å; I854-V857 PolarHBondContact O-N 3.39Å; I854-G858 PolarHBondContact O-N 3.27Å; I854-L861 HydrophobicContact CG2-CD1 4.22Å; I854-W977 HydrophobicContact CG2-CH2 4Å; I854-W977 HydrophobicContact CG2-CZ2 4.06Å |
| 855 | N | 84.6 | Confident | 86.3 | Confident | 81 Ų | 81 | 49.7 Ų | 49.7 | 43% | 0.433 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -64.8 | -28.4 | 178.7 | -71.6 | -48.6 | 0 | 0 | 0 | 112.6 | R850 P851 Q852 A853 | R850-N855 PolarHBondContact NH1-OD1 2.99Å; P851-N855 PolarHBondContact O-N 3.5Å; P851-N855 PolarHBondContact O-ND2 2.97Å; Q852-N855 PolarHBondContact O-N 3.32Å; A853-N855 VanDerWaalsContact C-N 3.34Å; A853-N855 PolarHBondContact O-N 2.99Å |
| 856 | Q | 84.8 | Confident | 86.3 | Confident | 142 Ų | 142 | 49.7 Ų | 49.7 | 66% | 0.664 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -75.9 | -34.5 | 177.6 | -68.5 | 173.3 | 13 | 0 | 0 | 112.1 | Q852 A853 I854 | Q852-Q856 WeakPolarHBondContact O-CG 3.34Å; Q852-Q856 PolarHBondContact O-N 3.46Å; A853-Q856 WeakPolarHBondContact O-CB 3.3Å; A853-Q856 PolarHBondContact O-N 2.64Å; A853-Q856 VanDerWaalsContact O-N 3.15Å; I854-Q856 PolarHBondContact O-N 2.82Å |
| 857 | V | 86.1 | Confident | 86.3 | Confident | 14 Ų | 14 | 50.9 Ų | 50.9 | 9% | 0.085 | 26% | 0.26 | C | S | . | . | H | α-helix | trans | -97.6 | 4 | -178.3 | -57.1 | 0 | 0 | 0 | 0 | 114 | I818 L822 A853 I854 G859 Q860 L861 | I818-V857 HydrophobicContact CG2-CG1 4.48Å; I818-V857 HydrophobicContact CG2-CG2 3.65Å; L822-V857 HydrophobicContact CD1-CB 3.65Å; L822-V857 HydrophobicContact CD1-CG1 4.11Å; L822-V857 HydrophobicContact CD1-CG2 3.74Å; A853-V857 PolarHBondContact O-N 3.46Å; I854-V857 PolarHBondContact O-N 3.39Å; V857-G859 PolarHBondContact O-N 3.09Å; V857-Q860 WeakPolarHBondContact O-CB 3.28Å; V857-Q860 PolarHBondContact O-N 2.93Å; V857-L861 HydrophobicContact CG2-CD2 4.43Å |
| 858 | G | 83.9 | Confident | 86.3 | Confident | 2 Ų | 2 | 50.1 Ų | 50.1 | 2% | 0.021 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -51.7 | -37.9 | -173.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | I854 Q860 L861 L981 | I854-G858 PolarHBondContact O-N 3.27Å; G858-Q860 PolarHBondContact O-N 2.88Å; G858-L861 PolarHBondContact O-N 3.36Å; G858-L981 VanDerWaalsContact O-CD2 3.26Å; G858-L981 WeakPolarHBondContact O-CD2 3.37Å |
| 859 | G | 85.4 | Confident | 86.7 | Confident | 22 Ų | 22 | 44.8 Ų | 44.8 | 23% | 0.227 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.9 | -10 | 177.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | V857 P863 T984 | V857-G859 PolarHBondContact O-N 3.09Å; G859-P863 WeakPolarHBondContact O-CD 3.47Å; G859-P863 WeakPolarHBondContact O-CG 3.47Å; G859-T984 WeakPolarHBondContact CA-OG1 3.29Å; G859-T984 PolarHBondContact O-OG1 3.49Å |
| 860 | Q | 89.3 | Confident | 86.9 | Confident | 111 Ų | 111 | 39 Ų | 39 | 52% | 0.519 | 21% | 0.206 | S | C | . | . | H | α-helix | trans | -99.7 | -18.5 | 179.1 | -60.9 | 177.1 | 8.3 | 0 | 0 | 112.8 | L822 V857 G858 P863 A864 | L822-Q860 HydrophobicContact CD1-CB 4.3Å; V857-Q860 WeakPolarHBondContact O-CB 3.28Å; V857-Q860 PolarHBondContact O-N 2.93Å; G858-Q860 PolarHBondContact O-N 2.88Å; Q860-P863 WeakPolarHBondContact O-CD 3.24Å; Q860-A864 WeakPolarHBondContact O-CB 3.22Å; Q860-A864 PolarHBondContact O-N 3.42Å |
| 861 | L | 89.1 | Confident | 86.9 | Confident | 0 Ų | 0 | 36.4 Ų | 36.4 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -65.1 | -43.6 | -175.1 | -63.1 | 174.3 | 0 | 0 | 0 | 113.3 | L822 L841 L844 I845 I854 V857 G858 A865 W977 L981 | L822-L861 HydrophobicContact CD1-CD2 4.28Å; L822-L861 HydrophobicContact CD2-CD2 4.17Å; L841-L861 HydrophobicContact CD2-CD2 4.01Å; L844-L861 HydrophobicContact CD1-CD2 4.43Å; I845-L861 HydrophobicContact CD1-CB 4.38Å; I845-L861 HydrophobicContact CG1-CB 4.45Å; I845-L861 HydrophobicContact CG1-CD1 4.12Å; I854-L861 HydrophobicContact CG2-CD1 4.22Å; V857-L861 HydrophobicContact CG2-CD2 4.43Å; G858-L861 PolarHBondContact O-N 3.36Å; L861-A865 PolarHBondContact O-N 3.44Å; L861-W977 HydrophobicContact CD1-CH2 4.16Å; L861-W977 HydrophobicContact CD1-CZ2 3.98Å; L861-L981 HydrophobicContact CB-CD2 4.23Å; L861-L981 HydrophobicContact CD1-CD2 3.98Å |
| 862 | L | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | H | α-helix | trans | -71.1 | -43.7 | 177.4 | -72.1 | -172.2 | 0 | 0 | 0 | 112.9 | I845 A864 A865 I866 F963 L967 L981 T982 L985 | I845-L862 HydrophobicContact CD1-CD2 4.31Å; L862-A864 VanDerWaalsContact C-N 3.3Å; L862-A864 PolarHBondContact O-N 2.96Å; L862-A865 PolarHBondContact O-N 3.15Å; L862-I866 VanDerWaalsContact O-CG1 3.26Å; L862-I866 WeakPolarHBondContact O-CG1 2.92Å; L862-I866 PolarHBondContact O-N 3.37Å; L862-F963 HydrophobicContact CD2-CE2 3.94Å; L862-F963 HydrophobicContact CD2-CZ 3.74Å; L862-L967 HydrophobicContact CD1-CD1 4.47Å; L862-L967 HydrophobicContact CD2-CD1 4.37Å; L862-L981 HydrophobicContact CD1-CB 3.75Å; L862-L981 WeakPolarHBondContact CD1-O 3.24Å; L862-L981 HydrophobicContact CG-CB 4.03Å; L862-T982 HydrophobicContact CD1-CG2 3.74Å; L862-L985 HydrophobicContact CB-CD1 4.44Å; L862-L985 HydrophobicContact CB-CD2 4.01Å; L862-L985 HydrophobicContact CD1-CD1 4Å |
| 863 | P | 91.1 | Very high | 87 | Confident | 32 Ų | 32 | 33.6 Ų | 33.6 | 21% | 0.208 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -52.5 | -45.9 | 169.7 | -29.9 | 35.1 | 0 | 0 | 0 | 113.5 | G859 Q860 I866 L867 L985 | G859-P863 WeakPolarHBondContact O-CD 3.47Å; G859-P863 WeakPolarHBondContact O-CG 3.47Å; Q860-P863 WeakPolarHBondContact O-CD 3.24Å; P863-I866 PolarHBondContact O-N 3.07Å; P863-L867 PolarHBondContact O-N 2.82Å; P863-L985 HydrophobicContact CG-CD2 3.89Å |
| 864 | A | 90.6 | Very high | 86.9 | Confident | 11 Ų | 11 | 39.3 Ų | 39.3 | 9% | 0.091 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.7 | -46.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L822 V825 L841 Q860 L862 I866 L867 L868 | L822-A864 HydrophobicContact CD2-CB 3.95Å; V825-A864 HydrophobicContact CG1-CB 4.08Å; V825-A864 HydrophobicContact CG2-CB 4.04Å; L841-A864 HydrophobicContact CD1-CB 4.13Å; Q860-A864 WeakPolarHBondContact O-CB 3.22Å; Q860-A864 PolarHBondContact O-N 3.42Å; L862-A864 VanDerWaalsContact C-N 3.3Å; L862-A864 PolarHBondContact O-N 2.96Å; A864-I866 VanDerWaalsContact C-N 3.33Å; A864-I866 PolarHBondContact O-N 3.36Å; A864-L867 PolarHBondContact O-N 3.37Å; A864-L868 WeakPolarHBondContact O-CG 3.44Å; A864-L868 PolarHBondContact O-N 3.04Å; A864-L868 VanDerWaalsContact O-N 3.08Å |
| 865 | A | 90.8 | Very high | 86.6 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.008 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -61.3 | -40.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | L841 L861 L862 L868 F869 F963 | L841-A865 HydrophobicContact CD1-CB 4.07Å; L861-A865 PolarHBondContact O-N 3.44Å; L862-A865 PolarHBondContact O-N 3.15Å; A865-L868 PolarHBondContact O-N 3.48Å; A865-F869 WeakPolarHBondContact O-CB 3.3Å; A865-F869 WeakPolarHBondContact O-CD2 3.4Å; A865-F869 PolarHBondContact O-N 3.5Å; A865-F963 HydrophobicContact CB-CE2 3.89Å; A865-F963 HydrophobicContact CB-CZ 4.34Å |
| 866 | I | 90.9 | Very high | 86.4 | Confident | 4 Ų | 4 | 38.8 Ų | 38.8 | 2% | 0.021 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -64.1 | -43.1 | 178.3 | -69.4 | 164.9 | 0 | 0 | 0 | 111.1 | L862 P863 A864 F869 S870 L985 Q989 Q992 L993 I996 | L862-I866 VanDerWaalsContact O-CG1 3.26Å; L862-I866 WeakPolarHBondContact O-CG1 2.92Å; L862-I866 PolarHBondContact O-N 3.37Å; P863-I866 PolarHBondContact O-N 3.07Å; A864-I866 VanDerWaalsContact C-N 3.33Å; A864-I866 PolarHBondContact O-N 3.36Å; I866-F869 PolarHBondContact O-N 3.04Å; I866-S870 PolarHBondContact O-N 2.63Å; I866-L985 HydrophobicContact CD1-CD2 3.99Å; I866-Q989 HydrophobicContact CD1-CB 3.95Å; I866-Q992 HydrophobicContact CG2-CB 3.83Å; I866-L993 HydrophobicContact CD1-CB 4.27Å; I866-L993 HydrophobicContact CG1-CD1 4.43Å; I866-I996 HydrophobicContact CG1-CD1 4.17Å |
| 867 | L | 89.3 | Confident | 86.1 | Confident | 85 Ų | 85 | 34.4 Ų | 34.4 | 45% | 0.445 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -57.7 | -50.6 | 174.9 | -179.6 | 65.1 | 0 | 0 | 0 | 110.8 | V825 D826 P863 A864 F869 S870 G871 | V825-L867 HydrophobicContact CG1-CD2 4.25Å; D826-L867 HydrophobicContact CB-CD2 4.15Å; P863-L867 PolarHBondContact O-N 2.82Å; A864-L867 PolarHBondContact O-N 3.37Å; L867-F869 PolarHBondContact O-N 3.11Å; L867-S870 WeakPolarHBondContact O-CB 3.32Å; L867-S870 PolarHBondContact O-N 2.91Å; L867-S870 VanDerWaalsContact O-N 3.09Å; L867-S870 PolarHBondContact O-OG 3.34Å; L867-G871 PolarHBondContact O-N 3.4Å |
| 868 | L | 88.9 | Confident | 85.4 | Confident | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.026 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.7 | -42.4 | 178.4 | -66.8 | 164.5 | 0 | 0 | 0 | 112.4 | V825 F828 R834 C837 I838 L841 A864 A865 S870 G871 L872 | V825-L868 HydrophobicContact CG1-CD1 3.89Å; V825-L868 HydrophobicContact CG1-CD2 3.8Å; V825-L868 HydrophobicContact CG1-CG 3.62Å; F828-L868 HydrophobicContact CB-CD2 4.16Å; R834-L868 HydrophobicContact CB-CD2 4.41Å; R834-L868 HydrophobicContact CG-CD2 4.13Å; C837-L868 HydrophobicContact CB-CD1 3.85Å; C837-L868 HydrophobicContact CB-CD2 4.25Å; C837-L868 WeakPolarHBondContact SG-CD1 3.4Å; I838-L868 HydrophobicContact CD1-CB 3.85Å; I838-L868 HydrophobicContact CG1-CB 3.67Å; I838-L868 HydrophobicContact CG1-CD1 3.99Å; I838-L868 HydrophobicContact CG1-CG 4.48Å; L841-L868 HydrophobicContact CD1-CD1 3.76Å; A864-L868 WeakPolarHBondContact O-CG 3.44Å; A864-L868 PolarHBondContact O-N 3.04Å; A864-L868 VanDerWaalsContact O-N 3.08Å; A865-L868 PolarHBondContact O-N 3.48Å; L868-S870 VanDerWaalsContact C-N 3.27Å; L868-S870 PolarHBondContact O-N 3.45Å; L868-G871 PolarHBondContact O-N 3.3Å; L868-L872 VanDerWaalsContact O-CB 3.23Å; L868-L872 WeakPolarHBondContact O-CB 3.24Å; L868-L872 PolarHBondContact O-N 3.41Å |
| 869 | F | 90.2 | Very high | 84.8 | Confident | 3 Ų | 3 | 39.3 Ų | 39.3 | 1% | 0.013 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -65.3 | -29.7 | 176.4 | -83.3 | -59.1 | 0 | 0 | 0 | 113.2 | I838 A865 I866 L867 L872 K873 E959 Y960 F963 I996 | I838-F869 HydrophobicContact CD1-CD1 3.71Å; I838-F869 HydrophobicContact CD1-CD2 4.39Å; I838-F869 HydrophobicContact CD1-CE1 3.81Å; I838-F869 HydrophobicContact CD1-CE2 4.44Å; I838-F869 HydrophobicContact CD1-CG 4.04Å; I838-F869 HydrophobicContact CD1-CZ 4.18Å; I838-F869 HydrophobicContact CG1-CZ 4.5Å; I838-F869 HydrophobicContact CG2-CE1 4.05Å; I838-F869 HydrophobicContact CG2-CE2 3.92Å; I838-F869 HydrophobicContact CG2-CZ 3.49Å; I838-F869 VanDerWaalsContact CG2-CZ 3.49Å; A865-F869 WeakPolarHBondContact O-CB 3.3Å; A865-F869 WeakPolarHBondContact O-CD2 3.4Å; A865-F869 PolarHBondContact O-N 3.5Å; I866-F869 PolarHBondContact O-N 3.04Å; L867-F869 PolarHBondContact O-N 3.11Å; F869-L872 HydrophobicContact CD1-CD2 4.5Å; F869-K873 WeakPolarHBondContact O-CB 3.36Å; F869-K873 PolarHBondContact O-N 3.22Å; F869-K873 VanDerWaalsContact O-N 3.07Å; F869-E959 HydrophobicContact CE1-CG 4.04Å; F869-Y960 HydrophobicContact CB-CE1 4.46Å; F869-Y960 AromaticContact CD1-CD1 3.77Å; F869-Y960 HydrophobicContact CD1-CD1 3.77Å; F869-Y960 HydrophobicContact CD1-CD2 4.17Å; F869-Y960 AromaticContact CD1-CE1 3.29Å; F869-Y960 HydrophobicContact CD1-CE1 3.29Å; F869-Y960 AromaticContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CG 4.18Å; F869-Y960 AromaticContact CD1-CZ 3.33Å; F869-Y960 AromaticContact CE1-CD1 3.63Å; F869-Y960 HydrophobicContact CE1-CD1 3.63Å; F869-Y960 AromaticContact CE1-CD2 3.76Å; F869-Y960 HydrophobicContact CE1-CD2 3.76Å; F869-Y960 AromaticContact CE1-CE1 3.67Å; F869-Y960 HydrophobicContact CE1-CE1 3.67Å; F869-Y960 AromaticContact CE1-CE2 3.85Å; F869-Y960 HydrophobicContact CE1-CE2 3.85Å; F869-Y960 AromaticContact CE1-CG 3.67Å; F869-Y960 HydrophobicContact CE1-CG 3.67Å; F869-Y960 AromaticContact CE1-CZ 3.81Å; F869-Y960 HydrophobicContact CG-CE1 4.11Å; F869-Y960 HydrophobicContact CZ-CD1 4.47Å; F869-Y960 PolarHBondContact O-OH 2.96Å; F869-F963 HydrophobicContact CE2-CB 4.06Å; F869-F963 AromaticContact CE2-CD1 3.7Å; F869-F963 HydrophobicContact CE2-CD1 3.7Å; F869-F963 AromaticContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CE1 4.05Å; F869-F963 HydrophobicContact CE2-CE2 4.25Å; F869-F963 AromaticContact CE2-CG 3.62Å; F869-F963 HydrophobicContact CE2-CG 3.62Å; F869-F963 HydrophobicContact CE2-CZ 4.3Å; F869-F963 HydrophobicContact CZ-CB 3.71Å; F869-F963 HydrophobicContact CZ-CD1 4.07Å; F869-F963 HydrophobicContact CZ-CD2 4.4Å; F869-F963 AromaticContact CZ-CG 3.82Å; F869-F963 HydrophobicContact CZ-CG 3.82Å; F869-I996 HydrophobicContact CB-CD1 3.63Å; F869-I996 HydrophobicContact CB-CG1 3.98Å; F869-I996 HydrophobicContact CD1-CG2 4.43Å; F869-I996 HydrophobicContact CD2-CD1 3.7Å; F869-I996 HydrophobicContact CD2-CG1 4.33Å; F869-I996 HydrophobicContact CD2-CG2 4.01Å; F869-I996 HydrophobicContact CE1-CG2 4.4Å; F869-I996 HydrophobicContact CE2-CG2 4.03Å; F869-I996 HydrophobicContact CG-CD1 3.88Å; F869-I996 HydrophobicContact CG-CG1 4.17Å; F869-I996 HydrophobicContact CG-CG2 4.22Å; F869-I996 HydrophobicContact CZ-CG2 4.22Å |
| 870 | S | 85.6 | Confident | 84.1 | Confident | 49 Ų | 49 | 40 Ų | 40 | 34% | 0.343 | 21% | 0.207 | S | C | . | . | H | α-helix | trans | -71.4 | -43.2 | 175.1 | 76.3 | 0 | 0 | 0 | 0 | 111.7 | I866 L867 L868 K873 R874 | I866-S870 PolarHBondContact O-N 2.63Å; L867-S870 WeakPolarHBondContact O-CB 3.32Å; L867-S870 PolarHBondContact O-N 2.91Å; L867-S870 VanDerWaalsContact O-N 3.09Å; L867-S870 PolarHBondContact O-OG 3.34Å; L868-S870 VanDerWaalsContact C-N 3.27Å; L868-S870 PolarHBondContact O-N 3.45Å; S870-K873 PolarHBondContact O-N 3.25Å; S870-R874 PolarHBondContact O-N 3.2Å |
| 871 | G | 83.3 | Confident | 83.1 | Confident | 10 Ų | 10 | 40.8 Ų | 40.8 | 10% | 0.103 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -64.3 | -45.1 | 172.6 | 0 | 0 | 0 | 0 | 0 | 112 | L867 L868 K873 R874 A875 | L867-G871 PolarHBondContact O-N 3.4Å; L868-G871 PolarHBondContact O-N 3.3Å; G871-K873 VanDerWaalsContact C-N 3.3Å; G871-K873 PolarHBondContact O-N 3.44Å; G871-R874 WeakPolarHBondContact O-CA 3.49Å; G871-R874 WeakPolarHBondContact O-CB 3.28Å; G871-R874 PolarHBondContact O-N 2.69Å; G871-A875 PolarHBondContact O-N 3.49Å |
| 872 | L | 83.9 | Confident | 81.8 | Confident | 0 Ų | 0 | 45.9 Ų | 45.9 | 0% | 0 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -61.9 | -37.2 | 178.7 | -171 | 66.2 | 0 | 0 | 0 | 112.4 | L831 R834 I838 L868 F869 R874 A875 Y876 E959 Y960 | L831-L872 HydrophobicContact CD2-CD1 4.5Å; L831-L872 HydrophobicContact CG-CD1 4.03Å; R834-L872 HydrophobicContact CB-CB 4.45Å; R834-L872 HydrophobicContact CB-CD1 4.2Å; I838-L872 HydrophobicContact CD1-CD2 3.87Å; L868-L872 VanDerWaalsContact O-CB 3.23Å; L868-L872 WeakPolarHBondContact O-CB 3.24Å; L868-L872 PolarHBondContact O-N 3.41Å; F869-L872 HydrophobicContact CD1-CD2 4.5Å; L872-R874 VanDerWaalsContact C-N 3.32Å; L872-R874 PolarHBondContact O-N 3.48Å; L872-A875 PolarHBondContact O-N 3.01Å; L872-Y876 HydrophobicContact CD1-CD2 4.16Å; L872-Y876 HydrophobicContact CD1-CE2 3.67Å; L872-Y876 HydrophobicContact CD2-CE2 3.78Å; L872-Y876 HydrophobicContact CG-CD2 3.77Å; L872-Y876 HydrophobicContact CG-CE2 3.42Å; L872-Y876 VanDerWaalsContact CG-CE2 3.42Å; L872-Y876 WeakPolarHBondContact O-CB 3.31Å; L872-Y876 WeakPolarHBondContact O-CD2 3.49Å; L872-Y876 PolarHBondContact O-N 2.92Å; L872-E959 HydrophobicContact CD2-CG 3.67Å; L872-E959 WeakPolarHBondContact CD2-OE1 3.33Å; L872-Y960 HydrophobicContact CD2-CE2 3.89Å |
| 873 | K | 83.1 | Confident | 80.2 | Confident | 124 Ų | 124 | 50.9 Ų | 50.9 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -63.1 | -38 | 173.4 | -177.2 | -175.3 | 174.1 | -169.5 | 0 | 112.1 | F869 S870 G871 A877 | F869-K873 WeakPolarHBondContact O-CB 3.36Å; F869-K873 PolarHBondContact O-N 3.22Å; F869-K873 VanDerWaalsContact O-N 3.07Å; S870-K873 PolarHBondContact O-N 3.25Å; G871-K873 VanDerWaalsContact C-N 3.3Å; G871-K873 PolarHBondContact O-N 3.44Å; K873-A877 PolarHBondContact O-N 3.24Å |
| 874 | R | 80.4 | Confident | 78.3 | Confident | 129 Ų | 129 | 53.9 Ų | 53.9 | 49% | 0.487 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -68.2 | -48.6 | 175 | -71 | 172.2 | 52.1 | -171.3 | -3 | 110.8 | S870 G871 L872 Y876 A877 C878 D937 | S870-R874 PolarHBondContact O-N 3.2Å; G871-R874 WeakPolarHBondContact O-CA 3.49Å; G871-R874 WeakPolarHBondContact O-CB 3.28Å; G871-R874 PolarHBondContact O-N 2.69Å; L872-R874 VanDerWaalsContact C-N 3.32Å; L872-R874 PolarHBondContact O-N 3.48Å; R874-Y876 PolarHBondContact O-N 3.27Å; R874-A877 WeakPolarHBondContact O-CA 3.29Å; R874-A877 WeakPolarHBondContact O-CB 2.93Å; R874-A877 PolarHBondContact O-N 2.92Å; R874-C878 PolarHBondContact O-N 3.29Å; R874-D937 IonicContact CZ-OD2 3.57Å; R874-D937 IonicContact NH1-OD2 3.97Å; R874-D937 PolarHBondContact NH1-OD2 3.41Å; R874-D937 IonicContact NH2-OD2 2.98Å; R874-D937 PolarHBondContact NH2-OD2 3.22Å |
| 875 | A | 76.9 | Confident | 76.2 | Confident | 10 Ų | 10 | 58 Ų | 58 | 8% | 0.083 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | L831 G871 L872 A877 C878 R879 | L831-A875 HydrophobicContact CD1-CB 4.5Å; G871-A875 PolarHBondContact O-N 3.49Å; L872-A875 PolarHBondContact O-N 3.01Å; A875-A877 VanDerWaalsContact C-N 3.25Å; A875-A877 PolarHBondContact O-N 3.15Å; A875-C878 PolarHBondContact O-N 3.39Å; A875-R879 PolarHBondContact O-N 3.36Å |
| 876 | Y | 80.8 | Confident | 73.8 | Confident | 61 Ų | 61 | 64 Ų | 64 | 24% | 0.239 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -63.1 | -28.4 | 174.5 | -80.1 | -52.5 | 0 | 0 | 0 | 114.1 | L831 L872 R874 A880 E959 | L831-Y876 HydrophobicContact CD1-CD1 3.74Å; L831-Y876 HydrophobicContact CD1-CE1 3.69Å; L831-Y876 HydrophobicContact CD1-CG 4.49Å; L831-Y876 HydrophobicContact CD2-CE1 3.93Å; L831-Y876 HydrophobicContact CG-CE1 4.1Å; L872-Y876 HydrophobicContact CD1-CD2 4.16Å; L872-Y876 HydrophobicContact CD1-CE2 3.67Å; L872-Y876 HydrophobicContact CD2-CE2 3.78Å; L872-Y876 HydrophobicContact CG-CD2 3.77Å; L872-Y876 HydrophobicContact CG-CE2 3.42Å; L872-Y876 VanDerWaalsContact CG-CE2 3.42Å; L872-Y876 WeakPolarHBondContact O-CB 3.31Å; L872-Y876 WeakPolarHBondContact O-CD2 3.49Å; L872-Y876 PolarHBondContact O-N 2.92Å; R874-Y876 PolarHBondContact O-N 3.27Å; Y876-A880 WeakPolarHBondContact O-CB 3.47Å; Y876-A880 PolarHBondContact O-N 2.95Å; Y876-E959 PolarHBondContact OH-OE1 3.35Å |
| 877 | A | 77.6 | Confident | 71.3 | Confident | 49 Ų | 49 | 70.6 Ų | 70.6 | 41% | 0.405 | 36% | 0.357 | S | S | . | . | H | α-helix | trans | -75.7 | -44.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | K873 R874 A875 A880 E881 | K873-A877 PolarHBondContact O-N 3.24Å; R874-A877 WeakPolarHBondContact O-CA 3.29Å; R874-A877 WeakPolarHBondContact O-CB 2.93Å; R874-A877 PolarHBondContact O-N 2.92Å; A875-A877 VanDerWaalsContact C-N 3.25Å; A875-A877 PolarHBondContact O-N 3.15Å; A877-A880 PolarHBondContact O-N 3.35Å; A877-E881 WeakPolarHBondContact O-CG 3.4Å; A877-E881 PolarHBondContact O-N 2.87Å |
| 878 | C | 72.7 | Confident | 68.8 | Low | 25 Ų | 25 | 73 Ų | 73 | 17% | 0.169 | 37% | 0.37 | C | S | . | . | H | α-helix | trans | -61.9 | -48.4 | 177.2 | 177.3 | 0 | 0 | 0 | 0 | 111.9 | R874 A875 A880 E881 H882 A938 | R874-C878 PolarHBondContact O-N 3.29Å; A875-C878 PolarHBondContact O-N 3.39Å; C878-A880 VanDerWaalsContact C-N 3.26Å; C878-A880 PolarHBondContact O-N 2.86Å; C878-E881 WeakPolarHBondContact O-CA 3.4Å; C878-E881 WeakPolarHBondContact O-CB 2.95Å; C878-E881 PolarHBondContact O-N 3.18Å; C878-H882 PolarHBondContact O-CD2 3.39Å; C878-H882 PolarHBondContact O-N 3.4Å; C878-A938 HydrophobicContact CB-CB 4.2Å |
| 879 | R | 70.6 | Confident | 66.1 | Low | 94 Ų | 94 | 79.6 Ų | 79.6 | 36% | 0.355 | 40% | 0.401 | S | S | . | . | H | α-helix | trans | -57.6 | -38.8 | 174.3 | 179.4 | 175 | 172.8 | 151.7 | 1.9 | 112.9 | A875 E881 E883 E940 | A875-R879 PolarHBondContact O-N 3.36Å; R879-E881 VanDerWaalsContact C-N 3.3Å; R879-E881 PolarHBondContact O-N 3.01Å; R879-E883 HydrophobicContact CG-CG 4.45Å; R879-E883 IonicContact CZ-OE1 3.52Å; R879-E883 IonicContact NE-OE1 2.69Å; R879-E883 PolarHBondContact NE-OE1 3.21Å; R879-E883 IonicContact NH2-OE1 2.82Å; R879-E883 WeakPolarHBondContact O-CB 3.25Å; R879-E883 WeakPolarHBondContact O-CG 3.49Å; R879-E883 PolarHBondContact O-N 3.28Å; R879-E940 IonicContact NH1-OE1 2.7Å |
| 880 | A | 69.9 | Low | 63.5 | Low | 36 Ų | 36 | 87.5 Ų | 87.5 | 30% | 0.298 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -72.2 | -23.5 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | Y876 A877 C878 N884 | Y876-A880 WeakPolarHBondContact O-CB 3.47Å; Y876-A880 PolarHBondContact O-N 2.95Å; A877-A880 PolarHBondContact O-N 3.35Å; C878-A880 VanDerWaalsContact C-N 3.26Å; C878-A880 PolarHBondContact O-N 2.86Å; A880-N884 PolarHBondContact O-ND2 3.23Å |
| 881 | E | 68.8 | Low | 61.1 | Low | 128 Ų | 128 | 93.5 Ų | 93.5 | 60% | 0.598 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -75.4 | -47.4 | 172.8 | -74.8 | 169.3 | 174 | 0 | 0 | 109.8 | A877 C878 R879 E883 N884 E885 | A877-E881 WeakPolarHBondContact O-CG 3.4Å; A877-E881 PolarHBondContact O-N 2.87Å; C878-E881 WeakPolarHBondContact O-CA 3.4Å; C878-E881 WeakPolarHBondContact O-CB 2.95Å; C878-E881 PolarHBondContact O-N 3.18Å; R879-E881 VanDerWaalsContact C-N 3.3Å; R879-E881 PolarHBondContact O-N 3.01Å; E881-E883 PolarHBondContact O-N 3.03Å; E881-N884 PolarHBondContact O-N 3.11Å; E881-E885 PolarHBondContact O-N 2.92Å |
| 882 | H | 62.3 | Low | 58.8 | Low | 108 Ų | 108 | 100.9 Ų | 100.9 | 50% | 0.5 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -59 | -45.3 | 174.4 | -78.7 | -64.8 | 0 | 0 | 0 | 113.6 | C878 N884 E885 D886 | C878-H882 PolarHBondContact O-CD2 3.39Å; C878-H882 PolarHBondContact O-N 3.4Å; H882-N884 PolarHBondContact O-N 3.13Å; H882-E885 IonicContact ND1-OE2 3.84Å; H882-E885 PolarHBondContact O-N 2.8Å; H882-E885 VanDerWaalsContact O-N 3.07Å; H882-D886 PolarHBondContact O-N 3.5Å; H882-D886 VanDerWaalsContact O-N 3.15Å |
| 883 | E | 56.9 | Low | 56.5 | Low | 104 Ų | 104 | 104.8 Ų | 104.8 | 49% | 0.486 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -61.7 | -16.2 | 176.3 | -76.8 | 174.8 | -170.4 | 0 | 0 | 113.3 | R879 E881 | R879-E883 HydrophobicContact CG-CG 4.45Å; R879-E883 IonicContact CZ-OE1 3.52Å; R879-E883 IonicContact NE-OE1 2.69Å; R879-E883 PolarHBondContact NE-OE1 3.21Å; R879-E883 IonicContact NH2-OE1 2.82Å; R879-E883 WeakPolarHBondContact O-CB 3.25Å; R879-E883 WeakPolarHBondContact O-CG 3.49Å; R879-E883 PolarHBondContact O-N 3.28Å; E881-E883 PolarHBondContact O-N 3.03Å |
| 884 | N | 50.9 | Low | 54.3 | Low | 95 Ų | 95 | 108 Ų | 108 | 51% | 0.508 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -98.9 | -24.4 | 173.9 | -70.7 | -58.5 | 0 | 0 | 0 | 113 | A880 E881 H882 | A880-N884 PolarHBondContact O-ND2 3.23Å; E881-N884 PolarHBondContact O-N 3.11Å; H882-N884 PolarHBondContact O-N 3.13Å |
| 885 | E | 47.2 | Very low | 52.2 | Low | 98 Ų | 98 | 111.1 Ų | 111.1 | 46% | 0.458 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -73.5 | -34.7 | 175.8 | -75.8 | 175.7 | 167.5 | 0 | 0 | 111.3 | E881 H882 D887 D888 E889 | E881-E885 PolarHBondContact O-N 2.92Å; H882-E885 IonicContact ND1-OE2 3.84Å; H882-E885 PolarHBondContact O-N 2.8Å; H882-E885 VanDerWaalsContact O-N 3.07Å; E885-D887 PolarHBondContact O-N 2.98Å; E885-D888 PolarHBondContact O-N 3.08Å; E885-E889 WeakPolarHBondContact O-CG 3.44Å; E885-E889 PolarHBondContact O-N 2.98Å |
| 886 | D | 39.9 | Very low | 50.4 | Low | 126 Ų | 126 | 119.9 Ų | 119.9 | 67% | 0.674 | 62% | 0.619 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.6 | -21 | 172.9 | -75.5 | -26.5 | 0 | 0 | 0 | 113.7 | H882 | H882-D886 PolarHBondContact O-N 3.5Å; H882-D886 VanDerWaalsContact O-N 3.15Å |
| 887 | D | 37.9 | Very low | 48.6 | Very low | 143 Ų | 143 | 121.7 Ų | 121.7 | 77% | 0.765 | 63% | 0.633 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.5 | -15.5 | 175.9 | -93.2 | -14.1 | 0 | 0 | 0 | 113 | E885 | E885-D887 PolarHBondContact O-N 2.98Š|
| 888 | D | 36.1 | Very low | 46.8 | Very low | 136 Ų | 136 | 127.4 Ų | 127.4 | 73% | 0.727 | 65% | 0.652 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | -6.8 | -173.1 | -82.4 | -26.3 | 0 | 0 | 0 | 113.9 | E885 D890 | E885-D888 PolarHBondContact O-N 3.08Å; D888-D890 VanDerWaalsContact C-N 3.29Å; D888-D890 PolarHBondContact O-N 2.92Å |
| 889 | E | 33.1 | Very low | 45.8 | Very low | 143 Ų | 143 | 133.3 Ų | 133.3 | 67% | 0.668 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.6 | -6 | -176.5 | -87.5 | -168.7 | 176 | 0 | 0 | 116.1 | E885 E891 | E885-E889 WeakPolarHBondContact O-CG 3.44Å; E885-E889 PolarHBondContact O-N 2.98Å; E889-E891 PolarHBondContact O-N 3Å |
| 890 | D | 35.8 | Very low | 45.2 | Very low | 169 Ų | 169 | 130.2 Ų | 130.2 | 90% | 0.904 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.1 | 3 | -175.4 | -92.2 | -19.7 | 0 | 0 | 0 | 115.7 | D888 | D888-D890 VanDerWaalsContact C-N 3.29Å; D888-D890 PolarHBondContact O-N 2.92Å |
| 891 | E | 35.8 | Very low | 45 | Very low | 176 Ų | 176 | 132 Ų | 132 | 82% | 0.822 | 68% | 0.678 | S | S | * | * | S | Bend | trans | -128.8 | -7.2 | -174.4 | -99.1 | -170.3 | 167.7 | 0 | 0 | 119.8 | E889 | E889-E891 PolarHBondContact O-N 3Š|
| 892 | D | 33.8 | Very low | 45.1 | Very low | 165 Ų | 165 | 126.8 Ų | 126.8 | 88% | 0.882 | 65% | 0.654 | S | S | * | * | trans | -119.8 | 38.6 | -168 | -79.2 | -23.5 | 0 | 0 | 0 | 116.4 | ||||
| 893 | G | 35.6 | Very low | 45.3 | Very low | 81 Ų | 81 | 122.2 Ų | 122.2 | 84% | 0.835 | 64% | 0.636 | S | S | * | * | S | Bend | trans | -105.8 | -1.7 | 178.2 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||
| 894 | E | 37.8 | Very low | 45.6 | Very low | 191 Ų | 191 | 119.4 Ų | 119.4 | 89% | 0.893 | 63% | 0.628 | S | S | * | * | S | Bend | trans | -118.7 | 26 | -164.1 | -78.9 | -161 | -175.7 | 0 | 0 | 117.3 | ||
| 895 | E | 36.7 | Very low | 46.6 | Very low | 195 Ų | 195 | 121.6 Ų | 121.6 | 91% | 0.911 | 64% | 0.64 | S | S | * | * | S | Bend | trans | -128.5 | 35.2 | 179 | -71.4 | -154.3 | 171.6 | 0 | 0 | 117.1 | ||
| 896 | E | 37.6 | Very low | 47.9 | Very low | 195 Ų | 195 | 122.2 Ų | 122.2 | 91% | 0.911 | 64% | 0.643 | S | S | * | * | S | Bend | trans | -138.7 | 63.6 | 166.5 | -72.4 | -162.1 | 159.7 | 0 | 0 | 114.6 | ||
| 897 | D | 43.1 | Very low | 49.7 | Very low | 99 Ų | 99 | 119.8 Ų | 119.8 | 53% | 0.529 | 63% | 0.63 | S | S | . | * | trans | -153.6 | 33.9 | 161.6 | -150.6 | 6.6 | 0 | 0 | 0 | 114.6 | K445 N899 | K445-D897 IonicContact NZ-OD2 2.68Å; D897-N899 PolarHBondContact O-N 3.09Å; D897-N899 VanDerWaalsContact O-N 3.13Å | ||
| 898 | E | 41.3 | Very low | 51.5 | Low | 169 Ų | 169 | 115 Ų | 115 | 79% | 0.79 | 61% | 0.605 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73 | 5.7 | -179.5 | -88.9 | -159.2 | 159.4 | 0 | 0 | 114.3 | ||
| 899 | N | 50.6 | Low | 52.9 | Low | 148 Ų | 148 | 112.7 Ų | 112.7 | 79% | 0.791 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -145.6 | 42.2 | -175.8 | -94.1 | -37.3 | 0 | 0 | 0 | 118.1 | D897 E901 | D897-N899 PolarHBondContact O-N 3.09Å; D897-N899 VanDerWaalsContact O-N 3.13Å; N899-E901 PolarHBondContact O-N 3.07Å; N899-E901 VanDerWaalsContact O-N 3.07Å |
| 900 | A | 57.4 | Low | 54.4 | Low | 30 Ų | 30 | 109.7 Ų | 109.7 | 25% | 0.248 | 58% | 0.58 | C | S | . | * | trans | -66.7 | 0.7 | 166.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | L902 | A900-L902 PolarHBondContact O-N 3.07Š| ||
| 901 | E | 66.6 | Low | 55.4 | Low | 72 Ų | 72 | 108.6 Ų | 108.6 | 34% | 0.336 | 57% | 0.569 | S | S | . | * | trans | -86.5 | 101.1 | -177.5 | -75.2 | -164.9 | 177.7 | 0 | 0 | 113.6 | K405 K446 N899 | K405-E901 WeakPolarHBondContact CE-OE2 3.5Å; K405-E901 HydrophobicContact CG-CB 4.44Å; K446-E901 IonicContact NZ-OE1 2.65Å; K446-E901 PolarHBondContact NZ-OE1 3.03Å; N899-E901 PolarHBondContact O-N 3.07Å; N899-E901 VanDerWaalsContact O-N 3.07Å | ||
| 902 | L | 71.3 | Confident | 56.3 | Low | 19 Ų | 19 | 107.7 Ų | 107.7 | 10% | 0.099 | 57% | 0.565 | C | S | . | * | B | Isolated β-bridge | trans | -71.6 | 140.6 | 178.9 | -57.1 | 167.1 | 0 | 0 | 0 | 112.9 | K403 A900 E906 D908 | K403-L902 HydrophobicContact CB-CD1 4.16Å; K403-L902 WeakPolarHBondContact O-CB 3.43Å; K403-L902 PolarHBondContact O-N 3.45Å; A900-L902 PolarHBondContact O-N 3.07Å; L902-E906 HydrophobicContact CB-CB 4.33Å; L902-E906 HydrophobicContact CD2-CB 4.41Å; L902-D908 HydrophobicContact CD1-CB 3.64Å; L902-D908 HydrophobicContact CD2-CB 4.4Å |
| 903 | G | 65.3 | Low | 57.3 | Low | 12 Ų | 12 | 100.7 Ų | 100.7 | 12% | 0.124 | 53% | 0.532 | C | S | . | . | trans | -58.6 | 158.6 | 160.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | R404 D905 E906 | R404-G903 PolarHBondContact NH1-O 3.16Å; G903-D905 PolarHBondContact O-N 3.03Å; G903-D905 VanDerWaalsContact O-N 3.15Å; G903-E906 WeakPolarHBondContact CA-OE2 3.5Å; G903-E906 PolarHBondContact N-OE2 2.98Å; G903-E906 PolarHBondContact O-N 3.43Å; G903-E906 VanDerWaalsContact O-N 3.16Å | ||
| 904 | S | 64.7 | Low | 58.4 | Low | 45 Ų | 45 | 99.7 Ų | 99.7 | 32% | 0.315 | 51% | 0.505 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -65.9 | -18.4 | -178.3 | -167 | 0 | 0 | 0 | 0 | 113.8 | K343 | K343-S904 PolarHBondContact NZ-OG 2.91Å; K343-S904 VanDerWaalsContact NZ-OG 3.11Å |
| 905 | D | 70.3 | Confident | 59.4 | Low | 141 Ų | 141 | 96.9 Ų | 96.9 | 75% | 0.754 | 49% | 0.492 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -112.8 | 9.9 | -179.7 | -60.9 | -30.7 | 0 | 0 | 0 | 111.4 | G903 | G903-D905 PolarHBondContact O-N 3.03Å; G903-D905 VanDerWaalsContact O-N 3.15Å |
| 906 | E | 75.9 | Confident | 60.6 | Low | 111 Ų | 111 | 94 Ų | 94 | 52% | 0.519 | 47% | 0.474 | S | S | . | . | P | Polyproline II helix | trans | -102.7 | 139.3 | 179.8 | -70.9 | 166.5 | -166.1 | 0 | 0 | 110.8 | R404 L902 G903 | R404-E906 PolarHBondContact NH1-O 2.74Å; L902-E906 HydrophobicContact CB-CB 4.33Å; L902-E906 HydrophobicContact CD2-CB 4.41Å; G903-E906 WeakPolarHBondContact CA-OE2 3.5Å; G903-E906 PolarHBondContact N-OE2 2.98Å; G903-E906 PolarHBondContact O-N 3.43Å; G903-E906 VanDerWaalsContact O-N 3.16Å |
| 907 | D | 77.9 | Confident | 61.6 | Low | 75 Ų | 75 | 87.8 Ų | 87.8 | 40% | 0.401 | 45% | 0.447 | S | S | . | . | P | Polyproline II helix | trans | -95.4 | 148 | 172.4 | -66.5 | -34.8 | 0 | 0 | 0 | 109 | H335 A336 | H335-D907 WeakPolarHBondContact CA-OD1 3.41Å; A336-D907 VanDerWaalsContact CB-OD1 3.24Å; A336-D907 WeakPolarHBondContact CB-OD1 3.42Å; A336-D907 PolarHBondContact N-OD1 2.68Å |
| 908 | D | 74.1 | Confident | 62.2 | Low | 44 Ų | 44 | 86.1 Ų | 86.1 | 24% | 0.235 | 44% | 0.436 | C | S | . | . | P | Polyproline II helix | trans | -87.9 | 119.7 | 170.8 | -152.5 | 17.8 | 0 | 0 | 0 | 109.3 | A334 K403 L902 | A334-D908 HydrophobicContact CB-CB 4Å; A334-D908 PolarHBondContact O-N 3.25Å; K403-D908 WeakPolarHBondContact CD-OD2 3.39Å; K403-D908 WeakPolarHBondContact CE-OD2 3.45Å; K403-D908 IonicContact NZ-OD2 4Å; K403-D908 PolarHBondContact NZ-OD2 2.59Å; L902-D908 HydrophobicContact CD1-CB 3.64Å; L902-D908 HydrophobicContact CD2-CB 4.4Å |
| 909 | I | 66.5 | Low | 63 | Low | 86 Ų | 86 | 83.1 Ų | 83.1 | 44% | 0.441 | 42% | 0.423 | S | S | . | . | trans | -120.8 | 115.4 | 177.1 | -60.5 | 175.4 | 0 | 0 | 0 | 106.4 | E911 | I909-E911 HydrophobicContact CG2-CG 4.16Å; I909-E911 PolarHBondContact O-N 3.05Å; I909-E911 VanDerWaalsContact O-N 3.16Å | ||
| 910 | D | 64.3 | Low | 63.1 | Low | 81 Ų | 81 | 79.8 Ų | 79.8 | 43% | 0.433 | 41% | 0.405 | S | S | . | . | trans | -81.4 | 87.3 | 176.7 | -178.4 | 4.7 | 0 | 0 | 0 | 109 | N280 E912 G913 Q914 | N280-D910 PolarHBondContact OD1-N 3.46Å; D910-E912 VanDerWaalsContact C-N 3.32Å; D910-E912 PolarHBondContact O-N 3.1Å; D910-G913 PolarHBondContact OD1-N 3.1Å; D910-Q914 WeakPolarHBondContact O-CB 3.5Å; D910-Q914 PolarHBondContact O-N 2.86Å | ||
| 911 | E | 58.1 | Low | 62.9 | Low | 146 Ų | 146 | 81.1 Ų | 81.1 | 68% | 0.682 | 42% | 0.416 | S | S | * | . | H | α-helix | trans | -63.6 | -37.3 | -176.4 | -65.4 | -174 | 173.4 | 0 | 0 | 111.5 | I909 Q914 E915 | I909-E911 HydrophobicContact CG2-CG 4.16Å; I909-E911 PolarHBondContact O-N 3.05Å; I909-E911 VanDerWaalsContact O-N 3.16Å; E911-Q914 WeakPolarHBondContact O-CB 3.34Å; E911-Q914 PolarHBondContact O-N 3.5Å; E911-E915 PolarHBondContact O-N 2.75Å; E911-E915 VanDerWaalsContact O-N 3.1Å |
| 912 | E | 53.2 | Low | 62.1 | Low | 156 Ų | 156 | 84.9 Ų | 84.9 | 73% | 0.729 | 43% | 0.431 | S | S | * | . | H | α-helix | trans | -71.5 | -45 | 177.7 | -68.8 | 177.7 | -177.1 | 0 | 0 | 112.4 | D910 Q914 E915 Y916 | D910-E912 VanDerWaalsContact C-N 3.32Å; D910-E912 PolarHBondContact O-N 3.1Å; E912-Q914 PolarHBondContact O-N 3.33Å; E912-E915 PolarHBondContact O-N 3.25Å; E912-E915 VanDerWaalsContact O-N 3.15Å; E912-Y916 PolarHBondContact O-N 2.75Å |
| 913 | G | 55.7 | Low | 60.9 | Low | 18 Ų | 18 | 89.4 Ų | 89.4 | 19% | 0.186 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -62.3 | -31.1 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | D910 L917 | D910-G913 PolarHBondContact OD1-N 3.1Å; G913-L917 WeakPolarHBondContact O-CB 3.23Å; G913-L917 WeakPolarHBondContact O-CD1 3.5Å; G913-L917 WeakPolarHBondContact O-CG 3.46Å; G913-L917 PolarHBondContact O-N 3.37Å |
| 914 | Q | 58.6 | Low | 59.8 | Low | 60 Ų | 60 | 92.1 Ų | 92.1 | 28% | 0.28 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.5 | -42.8 | 173.1 | -165.2 | -176.2 | -36.4 | 0 | 0 | 111.7 | G279 D910 E911 E912 L917 E918 | G279-Q914 PolarHBondContact O-OE1 3.03Å; D910-Q914 WeakPolarHBondContact O-CB 3.5Å; D910-Q914 PolarHBondContact O-N 2.86Å; E911-Q914 WeakPolarHBondContact O-CB 3.34Å; E911-Q914 PolarHBondContact O-N 3.5Å; E912-Q914 PolarHBondContact O-N 3.33Å; Q914-L917 PolarHBondContact O-N 3.07Å; Q914-E918 PolarHBondContact NE2-OE1 3.47Å; Q914-E918 WeakPolarHBondContact O-CB 3.25Å; Q914-E918 VanDerWaalsContact O-CG 3.27Å; Q914-E918 WeakPolarHBondContact O-CG 3.45Å; Q914-E918 PolarHBondContact O-N 2.64Å |
| 915 | E | 59 | Low | 58.5 | Low | 132 Ų | 132 | 93 Ų | 93 | 62% | 0.617 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.9 | -42.4 | 174.1 | -73 | -174.8 | 173.9 | 0 | 0 | 111.9 | E911 E912 E918 M919 | E911-E915 PolarHBondContact O-N 2.75Å; E911-E915 VanDerWaalsContact O-N 3.1Å; E912-E915 PolarHBondContact O-N 3.25Å; E912-E915 VanDerWaalsContact O-N 3.15Å; E915-E918 WeakPolarHBondContact O-CB 3.44Å; E915-E918 PolarHBondContact O-N 2.74Å; E915-M919 WeakPolarHBondContact O-CG 3.22Å; E915-M919 PolarHBondContact O-N 3.4Å |
| 916 | Y | 60.9 | Low | 57 | Low | 135 Ų | 135 | 92.5 Ų | 92.5 | 53% | 0.529 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -63.1 | -44.2 | 175.4 | -177.9 | -106.2 | 0 | 0 | 0 | 112.8 | E912 E918 M919 L920 | E912-Y916 PolarHBondContact O-N 2.75Å; Y916-E918 VanDerWaalsContact C-N 3.26Å; Y916-E918 PolarHBondContact O-N 3.35Å; Y916-M919 HydrophobicContact CD2-CE 4.11Å; Y916-M919 PolarHBondContact O-N 3.46Å; Y916-L920 HydrophobicContact CD1-CD1 3.82Å; Y916-L920 HydrophobicContact CD1-CG 4.39Å; Y916-L920 HydrophobicContact CE1-CD1 3.27Å; Y916-L920 HydrophobicContact CE1-CG 3.98Å; Y916-L920 HydrophobicContact CE2-CG 4.45Å; Y916-L920 PolarHBondContact O-N 3.26Å |
| 917 | L | 58.2 | Low | 55.3 | Low | 65 Ų | 65 | 93.6 Ų | 93.6 | 34% | 0.34 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -32.6 | 174.3 | -74.9 | 169.2 | 0 | 0 | 0 | 112.3 | G913 Q914 A921 | G913-L917 WeakPolarHBondContact O-CB 3.23Å; G913-L917 WeakPolarHBondContact O-CD1 3.5Å; G913-L917 WeakPolarHBondContact O-CG 3.46Å; G913-L917 PolarHBondContact O-N 3.37Å; Q914-L917 PolarHBondContact O-N 3.07Å; L917-A921 VanDerWaalsContact O-CB 3.22Å; L917-A921 WeakPolarHBondContact O-CB 3.23Å; L917-A921 PolarHBondContact O-N 3.07Å |
| 918 | E | 57.4 | Low | 53.4 | Low | 64 Ų | 64 | 93.2 Ų | 93.2 | 30% | 0.299 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.5 | -39.5 | 173 | -75.1 | -178.6 | -161.6 | 0 | 0 | 112.2 | K283 Q914 E915 Y916 A921 K922 | K283-E918 VanDerWaalsContact CE-CD 3.43Å; K283-E918 WeakPolarHBondContact CE-OE1 3.17Å; K283-E918 IonicContact NZ-OE1 2.65Å; K283-E918 PolarHBondContact NZ-OE1 3.25Å; K283-E918 VanDerWaalsContact NZ-OE1 3.07Å; K283-E918 IonicContact NZ-OE2 2.73Å; K283-E918 PolarHBondContact NZ-OE2 3.06Å; Q914-E918 PolarHBondContact NE2-OE1 3.47Å; Q914-E918 WeakPolarHBondContact O-CB 3.25Å; Q914-E918 VanDerWaalsContact O-CG 3.27Å; Q914-E918 WeakPolarHBondContact O-CG 3.45Å; Q914-E918 PolarHBondContact O-N 2.64Å; E915-E918 WeakPolarHBondContact O-CB 3.44Å; E915-E918 PolarHBondContact O-N 2.74Å; Y916-E918 VanDerWaalsContact C-N 3.26Å; Y916-E918 PolarHBondContact O-N 3.35Å; E918-A921 PolarHBondContact O-N 3.32Å; E918-K922 PolarHBondContact O-N 3.24Å; E918-K922 VanDerWaalsContact O-N 3.08Å |
| 919 | M | 56.7 | Low | 51.2 | Low | 105 Ų | 105 | 97.7 Ų | 97.7 | 52% | 0.517 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -62.7 | -49.5 | 172.7 | -72 | -167.3 | -70.9 | 0 | 0 | 111.4 | E915 Y916 A921 K922 H923 | E915-M919 WeakPolarHBondContact O-CG 3.22Å; E915-M919 PolarHBondContact O-N 3.4Å; Y916-M919 HydrophobicContact CD2-CE 4.11Å; Y916-M919 PolarHBondContact O-N 3.46Å; M919-A921 VanDerWaalsContact C-N 3.29Å; M919-A921 PolarHBondContact O-N 3.43Å; M919-K922 WeakPolarHBondContact O-CB 3.47Å; M919-K922 PolarHBondContact O-N 3.27Å; M919-K922 VanDerWaalsContact O-N 3.16Å; M919-H923 PolarHBondContact O-N 3.06Å; M919-H923 PolarHBondContact O-ND1 3.1Å |
| 920 | L | 53.5 | Low | 49.9 | Very low | 79 Ų | 79 | 101.1 Ų | 101.1 | 41% | 0.414 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -61 | -37.6 | 176.9 | -75 | 177.5 | 0 | 0 | 0 | 112.6 | Y916 K922 H923 A924 | Y916-L920 HydrophobicContact CD1-CD1 3.82Å; Y916-L920 HydrophobicContact CD1-CG 4.39Å; Y916-L920 HydrophobicContact CE1-CD1 3.27Å; Y916-L920 HydrophobicContact CE1-CG 3.98Å; Y916-L920 HydrophobicContact CE2-CG 4.45Å; Y916-L920 PolarHBondContact O-N 3.26Å; L920-K922 VanDerWaalsContact C-N 3.34Å; L920-H923 PolarHBondContact O-N 2.93Å; L920-A924 WeakPolarHBondContact O-CB 3.45Å; L920-A924 PolarHBondContact O-N 3.47Å |
| 921 | A | 52.4 | Low | 48.4 | Very low | 58 Ų | 58 | 104.8 Ų | 104.8 | 48% | 0.479 | 56% | 0.563 | S | S | . | * | H | α-helix | trans | -67.6 | -33.1 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | L917 E918 M919 | L917-A921 VanDerWaalsContact O-CB 3.22Å; L917-A921 WeakPolarHBondContact O-CB 3.23Å; L917-A921 PolarHBondContact O-N 3.07Å; E918-A921 PolarHBondContact O-N 3.32Å; M919-A921 VanDerWaalsContact C-N 3.29Å; M919-A921 PolarHBondContact O-N 3.43Å |
| 922 | K | 50.2 | Low | 46.9 | Very low | 150 Ų | 150 | 105 Ų | 105 | 65% | 0.652 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -65.3 | -50.9 | 170.2 | -85 | -176.3 | 166.7 | -167.9 | 0 | 111.3 | E918 M919 L920 A924 G925 | E918-K922 PolarHBondContact O-N 3.24Å; E918-K922 VanDerWaalsContact O-N 3.08Å; M919-K922 WeakPolarHBondContact O-CB 3.47Å; M919-K922 PolarHBondContact O-N 3.27Å; M919-K922 VanDerWaalsContact O-N 3.16Å; L920-K922 VanDerWaalsContact C-N 3.34Å; K922-A924 VanDerWaalsContact C-N 3.31Å; K922-A924 PolarHBondContact O-N 2.9Å; K922-G925 PolarHBondContact O-N 3.5Å; K922-G925 VanDerWaalsContact O-N 3.09Å |
| 923 | H | 45.2 | Very low | 45.9 | Very low | 114 Ų | 114 | 107.4 Ų | 107.4 | 53% | 0.528 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -61.5 | -36.3 | -179.2 | -72.7 | 77.3 | 0 | 0 | 0 | 112.7 | M919 L920 G925 E926 | M919-H923 PolarHBondContact O-N 3.06Å; M919-H923 PolarHBondContact O-ND1 3.1Å; L920-H923 PolarHBondContact O-N 2.93Å; H923-G925 VanDerWaalsContact C-N 3.25Å; H923-G925 PolarHBondContact O-N 3.28Å; H923-E926 PolarHBondContact O-N 2.94Å |
| 924 | A | 43.3 | Very low | 44.7 | Very low | 69 Ų | 69 | 115.2 Ų | 115.2 | 57% | 0.57 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.6 | -17 | 178.5 | 0 | 0 | 0 | 0 | 0 | 114.5 | L920 K922 | L920-A924 WeakPolarHBondContact O-CB 3.45Å; L920-A924 PolarHBondContact O-N 3.47Å; K922-A924 VanDerWaalsContact C-N 3.31Å; K922-A924 PolarHBondContact O-N 2.9Å |
| 925 | G | 37.6 | Very low | 43.3 | Very low | 64 Ų | 64 | 121.4 Ų | 121.4 | 66% | 0.66 | 63% | 0.632 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | -13.6 | 179.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | K922 H923 | K922-G925 PolarHBondContact O-N 3.5Å; K922-G925 VanDerWaalsContact O-N 3.09Å; H923-G925 VanDerWaalsContact C-N 3.25Å; H923-G925 PolarHBondContact O-N 3.28Å |
| 926 | E | 37.7 | Very low | 42.4 | Very low | 131 Ų | 131 | 120 Ų | 120 | 61% | 0.612 | 63% | 0.628 | S | S | * | * | trans | -123.1 | 50.7 | -171.6 | -71.8 | 174.5 | 170.3 | 0 | 0 | 111.5 | H923 G928 | H923-E926 PolarHBondContact O-N 2.94Å; E926-G928 PolarHBondContact O-N 3.16Å | ||
| 927 | D | 40.6 | Very low | 41.3 | Very low | 133 Ų | 133 | 117.3 Ų | 117.3 | 71% | 0.711 | 62% | 0.623 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | 79.1 | 158 | -77.7 | -33.9 | 0 | 0 | 0 | 107.7 | K163 | K163-D927 IonicContact NZ-OD2 3.91Å; K163-D927 PolarHBondContact NZ-OD2 3.25Å |
| 928 | G | 37.8 | Very low | 40.6 | Very low | 67 Ų | 67 | 115.2 Ų | 115.2 | 69% | 0.691 | 62% | 0.615 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 179.5 | -12.9 | 178.2 | 0 | 0 | 0 | 0 | 0 | 119.8 | E926 | E926-G928 PolarHBondContact O-N 3.16Š|
| 929 | D | 28.7 | Very low | 40.2 | Very low | 139 Ų | 139 | 118.9 Ų | 118.9 | 74% | 0.743 | 63% | 0.633 | S | S | * | * | trans | -147.4 | 110.5 | 171.5 | -90 | -34.6 | 0 | 0 | 0 | 109.7 | E931 | D929-E931 PolarHBondContact O-N 3.13Š| ||
| 930 | D | 38.9 | Very low | 40.2 | Very low | 158 Ų | 158 | 118.8 Ų | 118.8 | 85% | 0.845 | 63% | 0.631 | S | S | * | * | trans | -70.1 | 70.1 | 170.5 | -75.2 | -40.8 | 0 | 0 | 0 | 110.6 | ||||
| 931 | E | 32.6 | Very low | 40.8 | Very low | 158 Ų | 158 | 116.4 Ų | 116.4 | 74% | 0.738 | 62% | 0.62 | S | S | * | * | trans | -133.2 | 21.5 | 179.1 | -78.6 | -165.7 | 178.4 | 0 | 0 | 115.7 | D929 | D929-E931 PolarHBondContact O-N 3.13Š| ||
| 932 | D | 27.3 | Very low | 41.6 | Very low | 149 Ų | 149 | 118 Ų | 118 | 80% | 0.797 | 63% | 0.632 | S | S | * | * | S | Bend | trans | -134.6 | 35 | 173.2 | -94.4 | -16.8 | 0 | 0 | 0 | 114.2 | ||
| 933 | W | 31.3 | Very low | 43.1 | Very low | 208 Ų | 208 | 111 Ų | 111 | 79% | 0.788 | 60% | 0.602 | S | S | * | * | trans | -99.8 | 15.3 | 164.8 | -70.5 | 102.3 | 0 | 0 | 0 | 113.3 | E935 | W933-E935 PolarHBondContact O-N 3.32Š| ||
| 934 | E | 30 | Very low | 44.7 | Very low | 182 Ų | 182 | 106.7 Ų | 106.7 | 85% | 0.85 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.2 | 22.3 | -172.9 | -75.7 | -161.3 | 163.7 | 0 | 0 | 115.9 | ||
| 935 | E | 30.8 | Very low | 46.4 | Very low | 190 Ų | 190 | 106.3 Ų | 106.3 | 89% | 0.888 | 59% | 0.585 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129 | 32.4 | 173.7 | -96 | -174.3 | 176.1 | 0 | 0 | 114.5 | W933 | W933-E935 PolarHBondContact O-N 3.32Š|
| 936 | D | 38.6 | Very low | 48.7 | Very low | 101 Ų | 101 | 104.7 Ų | 104.7 | 54% | 0.54 | 56% | 0.559 | S | S | . | * | trans | -151.9 | 66.1 | 153.7 | -119.3 | -24.4 | 0 | 0 | 0 | 115.2 | A938 E939 | D936-A938 PolarHBondContact O-N 3.45Å; D936-E939 HydrophobicContact CB-CG 4.22Å | ||
| 937 | D | 39.4 | Very low | 50.9 | Low | 80 Ų | 80 | 102.4 Ų | 102.4 | 43% | 0.428 | 55% | 0.554 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -59.2 | 3.6 | 171.5 | -104.2 | -5.1 | 0 | 0 | 0 | 115.1 | R834 R874 | R834-D937 PolarHBondContact NH2-O 3.46Å; R874-D937 IonicContact CZ-OD2 3.57Å; R874-D937 IonicContact NH1-OD2 3.97Å; R874-D937 PolarHBondContact NH1-OD2 3.41Å; R874-D937 IonicContact NH2-OD2 2.98Å; R874-D937 PolarHBondContact NH2-OD2 3.22Å |
| 938 | A | 43.3 | Very low | 53 | Low | 21 Ų | 21 | 96.5 Ų | 96.5 | 17% | 0.174 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -126.3 | 1.6 | -166.3 | 0 | 0 | 0 | 0 | 0 | 115.4 | C878 D936 E940 | C878-A938 HydrophobicContact CB-CB 4.2Å; D936-A938 PolarHBondContact O-N 3.45Å; A938-E940 PolarHBondContact O-N 2.66Å |
| 939 | E | 47.8 | Very low | 55.1 | Low | 141 Ų | 141 | 95.4 Ų | 95.4 | 66% | 0.659 | 51% | 0.505 | S | S | * | . | P | Polyproline II helix | trans | -68.4 | 127.3 | 172.4 | -73.2 | -174.2 | 160.2 | 0 | 0 | 110.9 | D936 T941 | D936-E939 HydrophobicContact CB-CG 4.22Å; E939-T941 PolarHBondContact O-N 2.7Å |
| 940 | E | 56.5 | Low | 57.6 | Low | 103 Ų | 103 | 89 Ų | 89 | 48% | 0.481 | 47% | 0.47 | S | S | . | . | P | Polyproline II helix | trans | -64.3 | 125.7 | 171.1 | -71.4 | -169.8 | 161.1 | 0 | 0 | 108.9 | R879 A938 | R879-E940 IonicContact NH1-OE1 2.7Å; A938-E940 PolarHBondContact O-N 2.66Å |
| 941 | T | 66.2 | Low | 59.6 | Low | 29 Ų | 29 | 83.5 Ų | 83.5 | 18% | 0.178 | 44% | 0.441 | C | S | . | . | P | Polyproline II helix | trans | -66.7 | 146.9 | 178.7 | 66.2 | 0 | 0 | 0 | 0 | 110.2 | E939 L943 E944 | E939-T941 PolarHBondContact O-N 2.7Å; T941-L943 PolarHBondContact O-N 3.43Å; T941-E944 VanDerWaalsContact O-CB 3.32Å; T941-E944 WeakPolarHBondContact O-CB 3.32Å; T941-E944 WeakPolarHBondContact O-CG 3.41Å; T941-E944 PolarHBondContact O-N 3.02Å; T941-E944 WeakPolarHBondContact OG1-CG 3.38Å |
| 942 | A | 69.4 | Low | 61.6 | Low | 90 Ų | 90 | 79.3 Ų | 79.3 | 74% | 0.744 | 42% | 0.424 | S | S | * | . | G | 310 helix | trans | -54.2 | -26.2 | 178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | E944 G945 | A942-E944 VanDerWaalsContact C-N 3.27Å; A942-E944 PolarHBondContact O-N 2.83Å; A942-G945 PolarHBondContact O-N 2.95Å |
| 943 | L | 82.1 | Confident | 63.3 | Low | 3 Ų | 3 | 79.3 Ų | 79.3 | 2% | 0.016 | 42% | 0.419 | C | S | . | . | G | 310 helix | trans | -72.2 | -14.7 | 176.7 | -63.8 | 170.4 | 0 | 0 | 0 | 114.1 | C736 K740 M781 T941 G945 Y946 | C736-L943 HydrophobicContact CB-CD1 3.8Å; K740-L943 HydrophobicContact CB-CD2 4.33Å; K740-L943 HydrophobicContact CG-CD2 4.47Å; M781-L943 HydrophobicContact CG-CD1 3.96Å; M781-L943 HydrophobicContact SD-CD1 3.73Å; T941-L943 PolarHBondContact O-N 3.43Å; L943-G945 PolarHBondContact O-N 3.16Å; L943-Y946 HydrophobicContact CD2-CD2 4.19Å; L943-Y946 HydrophobicContact CD2-CE2 4.12Å; L943-Y946 PolarHBondContact O-N 2.82Å |
| 944 | E | 79.9 | Confident | 64.4 | Low | 25 Ų | 25 | 75.1 Ų | 75.1 | 12% | 0.117 | 41% | 0.412 | C | S | . | . | G | 310 helix | trans | -69.1 | -20.3 | 175.1 | -62.9 | -153.6 | -134.4 | 0 | 0 | 112.7 | G830 L831 H832 T941 A942 Y946 | G830-E944 VanDerWaalsContact C-OE1 3.31Å; G830-E944 WeakPolarHBondContact CA-OE1 3.47Å; L831-E944 WeakPolarHBondContact CB-OE2 3.44Å; L831-E944 VanDerWaalsContact N-CD 3.31Å; L831-E944 PolarHBondContact N-OE1 3.25Å; L831-E944 PolarHBondContact N-OE2 3.06Å; H832-E944 PolarHBondContact N-OE2 2.95Å; H832-E944 VanDerWaalsContact N-OE2 3.12Å; T941-E944 VanDerWaalsContact O-CB 3.32Å; T941-E944 WeakPolarHBondContact O-CB 3.32Å; T941-E944 WeakPolarHBondContact O-CG 3.41Å; T941-E944 PolarHBondContact O-N 3.02Å; T941-E944 WeakPolarHBondContact OG1-CG 3.38Å; A942-E944 VanDerWaalsContact C-N 3.27Å; A942-E944 PolarHBondContact O-N 2.83Å; E944-Y946 PolarHBondContact O-N 2.76Å |
| 945 | G | 78.4 | Confident | 65.8 | Low | 61 Ų | 61 | 72.1 Ų | 72.1 | 63% | 0.629 | 40% | 0.402 | S | S | * | . | G | 310 helix | trans | -60.1 | -23.9 | 170.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | A942 L943 T947 | A942-G945 PolarHBondContact O-N 2.95Å; L943-G945 PolarHBondContact O-N 3.16Å; G945-T947 VanDerWaalsContact C-N 3.32Å; G945-T947 PolarHBondContact O-N 2.93Å |
| 946 | Y | 85.4 | Confident | 67.4 | Low | 30 Ų | 30 | 67.1 Ų | 67.1 | 12% | 0.118 | 38% | 0.381 | C | S | . | . | S | Bend | trans | -85.2 | 72.5 | 177.3 | -59.4 | -68.2 | 0 | 0 | 0 | 111.9 | M694 P695 H698 H737 K740 L943 E944 | M694-Y946 HydrophobicContact CB-CE1 4.34Å; M694-Y946 HydrophobicContact CE-CD1 3.96Å; M694-Y946 HydrophobicContact CE-CD2 4.04Å; M694-Y946 HydrophobicContact CE-CE1 4.2Å; M694-Y946 HydrophobicContact CE-CE2 4.28Å; M694-Y946 HydrophobicContact CE-CG 3.87Å; M694-Y946 HydrophobicContact CG-CD1 4.15Å; M694-Y946 HydrophobicContact CG-CE1 3.46Å; M694-Y946 VanDerWaalsContact CG-CE1 3.46Å; M694-Y946 HydrophobicContact CG-CE2 3.91Å; M694-Y946 WeakPolarHBondContact CG-OH 3.37Å; P695-Y946 HydrophobicContact CG-CE1 4.25Å; H698-Y946 HydrophobicContact CB-CD1 4.07Å; H698-Y946 AromaticContact CD2-CD1 3.88Å; H698-Y946 AromaticContact CG-CD1 3.98Å; H737-Y946 AromaticContact CD2-CE2 3.75Å; H737-Y946 AromaticContact NE2-CE2 3.96Å; K740-Y946 HydrophobicContact CG-CD2 4.39Å; L943-Y946 HydrophobicContact CD2-CD2 4.19Å; L943-Y946 HydrophobicContact CD2-CE2 4.12Å; L943-Y946 PolarHBondContact O-N 2.82Å; E944-Y946 PolarHBondContact O-N 2.76Å |
| 947 | T | 83.9 | Confident | 69.3 | Low | 82 Ų | 82 | 63.6 Ų | 63.6 | 50% | 0.503 | 36% | 0.363 | S | S | . | . | trans | -59.5 | 152 | -178.2 | 61 | 0 | 0 | 0 | 0 | 113.3 | H698 G945 | H698-T947 PolarHBondContact NE2-O 3.36Å; G945-T947 VanDerWaalsContact C-N 3.32Å; G945-T947 PolarHBondContact O-N 2.93Å | ||
| 948 | T | 84.1 | Confident | 71.4 | Confident | 9 Ų | 9 | 60.4 Ų | 60.4 | 6% | 0.055 | 35% | 0.346 | C | S | . | . | trans | -127.1 | 171.7 | 179 | 75.3 | 0 | 0 | 0 | 0 | 111.4 | V744 L747 H832 V950 D951 D952 | V744-T948 HydrophobicContact CG2-CG2 4Å; L747-T948 HydrophobicContact CD1-CG2 4.04Å; H832-T948 PolarHBondContact CE1-OG1 3.14Å; T948-V950 PolarHBondContact O-N 3.26Å; T948-V950 PolarHBondContact OG1-N 3.26Å; T948-D951 WeakPolarHBondContact CB-OD2 3.39Å; T948-D951 PolarHBondContact N-OD2 2.96Å; T948-D951 PolarHBondContact O-N 2.78Å; T948-D951 PolarHBondContact OG1-OD2 2.82Å; T948-D952 PolarHBondContact O-N 3.45Å | ||
| 949 | S | 81.9 | Confident | 73.5 | Confident | 45 Ų | 45 | 59.5 Ų | 59.5 | 32% | 0.315 | 34% | 0.338 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | -16.2 | 172.8 | 64.1 | 0 | 0 | 0 | 0 | 114.9 | L747 | L747-S949 PolarHBondContact O-OG 3.09Š|
| 950 | V | 82.7 | Confident | 75.4 | Confident | 3 Ų | 3 | 53 Ų | 53 | 2% | 0.018 | 31% | 0.307 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -81.6 | -21.5 | 177.4 | 179.8 | 0 | 0 | 0 | 0 | 111.2 | L747 Y791 K835 M836 L839 T948 V957 | L747-V950 HydrophobicContact CD1-CG2 4.19Å; L747-V950 HydrophobicContact CD2-CG2 4.2Å; Y791-V950 HydrophobicContact CE1-CG2 4.14Å; K835-V950 HydrophobicContact CD-CG1 4.14Å; K835-V950 PolarHBondContact NZ-O 3.26Å; M836-V950 HydrophobicContact SD-CB 4.29Å; M836-V950 HydrophobicContact SD-CG1 3.98Å; M836-V950 HydrophobicContact SD-CG2 4.08Å; L839-V950 HydrophobicContact CD1-CG1 3.67Å; T948-V950 PolarHBondContact O-N 3.26Å; T948-V950 PolarHBondContact OG1-N 3.26Å; V950-V957 HydrophobicContact CG1-CB 4.3Å |
| 951 | D | 80.9 | Confident | 77 | Confident | 43 Ų | 43 | 50.7 Ų | 50.7 | 23% | 0.23 | 30% | 0.297 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -96.1 | -12.8 | -176.2 | -48.2 | -53.4 | 0 | 0 | 0 | 112.5 | H832 T948 E953 | H832-D951 IonicContact CE1-OD1 3.67Å; H832-D951 IonicContact CE1-OD2 3.4Å; H832-D951 PolarHBondContact CE1-OD2 3.41Å; H832-D951 VanDerWaalsContact CE1-OD2 3.28Å; H832-D951 IonicContact CG-OD1 3.88Å; H832-D951 IonicContact ND1-OD1 3.71Å; H832-D951 PolarHBondContact ND1-OD1 2.89Å; H832-D951 IonicContact ND1-OD2 3.71Å; H832-D951 PolarHBondContact ND1-OD2 3.13Å; T948-D951 WeakPolarHBondContact CB-OD2 3.39Å; T948-D951 PolarHBondContact N-OD2 2.96Å; T948-D951 PolarHBondContact O-N 2.78Å; T948-D951 PolarHBondContact OG1-OD2 2.82Å; D951-E953 PolarHBondContact O-N 3.12Å |
| 952 | D | 72.9 | Confident | 78.1 | Confident | 70 Ų | 70 | 51.9 Ų | 51.9 | 37% | 0.374 | 30% | 0.301 | S | S | . | . | trans | -56.8 | 119.8 | 179.3 | -176.5 | -3.9 | 0 | 0 | 0 | 112.3 | T948 D954 N955 L956 | T948-D952 PolarHBondContact O-N 3.45Å; D952-D954 VanDerWaalsContact C-N 3.28Å; D952-D954 PolarHBondContact O-N 3.3Å; D952-D954 PolarHBondContact OD1-N 2.86Å; D952-N955 HydrophobicContact CB-CB 4.4Å; D952-N955 CarbonylContact O-C 3.53Å; D952-N955 PolarHBondContact O-N 3.07Å; D952-L956 WeakPolarHBondContact O-CA 3.26Å; D952-L956 PolarHBondContact O-N 2.87Å | ||
| 953 | E | 63.7 | Low | 79.2 | Confident | 149 Ų | 149 | 47.9 Ų | 47.9 | 70% | 0.696 | 27% | 0.268 | S | S | * | . | S | Bend | trans | -65.6 | -29 | 179.6 | -63 | -159.1 | 153.9 | 0 | 0 | 113.5 | D951 | D951-E953 PolarHBondContact O-N 3.12Š|
| 954 | D | 54.7 | Low | 79.6 | Confident | 120 Ų | 120 | 49.5 Ų | 49.5 | 64% | 0.642 | 27% | 0.274 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -20.2 | -179.6 | -84 | -33.4 | 0 | 0 | 0 | 112.3 | D952 K1014 | D952-D954 VanDerWaalsContact C-N 3.28Å; D952-D954 PolarHBondContact O-N 3.3Å; D952-D954 PolarHBondContact OD1-N 2.86Å; D954-K1014 IonicContact OD1-NZ 3.57Å; D954-K1014 PolarHBondContact OD1-NZ 3.44Å |
| 955 | N | 59.6 | Low | 80.2 | Confident | 120 Ų | 120 | 50.3 Ų | 50.3 | 64% | 0.642 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -120.5 | 43.7 | 176.2 | -104.2 | -29 | 0 | 0 | 0 | 112 | D952 V957 | D952-N955 HydrophobicContact CB-CB 4.4Å; D952-N955 CarbonylContact O-C 3.53Å; D952-N955 PolarHBondContact O-N 3.07Å; N955-V957 PolarHBondContact O-N 2.85Å |
| 956 | L | 64.9 | Low | 80.8 | Confident | 84 Ų | 84 | 48.4 Ų | 48.4 | 44% | 0.44 | 26% | 0.261 | S | S | . | . | trans | -57.2 | 106.4 | -167.9 | -155.2 | 133.9 | 0 | 0 | 0 | 113.3 | D952 D958 | D952-L956 WeakPolarHBondContact O-CA 3.26Å; D952-L956 PolarHBondContact O-N 2.87Å; L956-D958 HydrophobicContact CD2-CB 4.04Å; L956-D958 PolarHBondContact O-N 3.18Å | ||
| 957 | V | 76.9 | Confident | 81 | Confident | 28 Ų | 28 | 48 Ų | 48 | 17% | 0.17 | 26% | 0.26 | C | S | . | . | trans | -77.3 | 95.8 | 170 | -179.3 | 0 | 0 | 0 | 0 | 107.9 | K835 L839 V950 N955 E959 I962 | K835-V957 WeakPolarHBondContact CE-O 3.31Å; K835-V957 PolarHBondContact NZ-O 2.8Å; K835-V957 VanDerWaalsContact NZ-O 3.16Å; L839-V957 HydrophobicContact CD1-CG1 3.9Å; L839-V957 HydrophobicContact CD2-CG1 4.07Å; V950-V957 HydrophobicContact CG1-CB 4.3Å; N955-V957 PolarHBondContact O-N 2.85Å; V957-E959 PolarHBondContact O-N 3.29Å; V957-I962 HydrophobicContact CG1-CD1 3.43Å; V957-I962 VanDerWaalsContact CG1-CD1 3.43Å | ||
| 958 | D | 83.7 | Confident | 81.3 | Confident | 13 Ų | 13 | 49.2 Ų | 49.2 | 7% | 0.07 | 26% | 0.26 | C | S | . | . | trans | -81.5 | 105.2 | -179.6 | -172.5 | -35.9 | 0 | 0 | 0 | 111.5 | L956 Y960 Q961 I962 R1003 | L956-D958 HydrophobicContact CD2-CB 4.04Å; L956-D958 PolarHBondContact O-N 3.18Å; D958-Y960 VanDerWaalsContact C-N 3.3Å; D958-Y960 PolarHBondContact O-N 3.24Å; D958-Y960 WeakPolarHBondContact OD1-CA 3.28Å; D958-Y960 WeakPolarHBondContact OD1-CB 3.43Å; D958-Y960 PolarHBondContact OD1-N 2.84Å; D958-Q961 HydrophobicContact CB-CB 4.07Å; D958-Q961 HydrophobicContact CB-CG 4.03Å; D958-Q961 PolarHBondContact O-N 3.11Å; D958-Q961 PolarHBondContact OD1-N 3.28Å; D958-Q961 WeakPolarHBondContact OD2-CG 3.47Å; D958-Q961 PolarHBondContact OD2-NE2 2.97Å; D958-I962 WeakPolarHBondContact O-CG1 3.41Å; D958-I962 PolarHBondContact O-N 3.43Å; D958-R1003 WeakPolarHBondContact OD2-CB 3.35Å | ||
| 959 | E | 87.9 | Confident | 81.6 | Confident | 1 Ų | 1 | 53.1 Ų | 53.1 | 1% | 0.005 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -61.2 | -32.7 | -179.3 | 65 | -70.3 | 158.8 | 0 | 0 | 113.4 | K835 I838 L839 F869 L872 Y876 V957 F963 R1003 | K835-E959 VanDerWaalsContact CE-OE2 3.24Å; K835-E959 WeakPolarHBondContact CE-OE2 3.44Å; K835-E959 HydrophobicContact CG-CB 4.26Å; K835-E959 HydrophobicContact CG-CG 4.29Å; I838-E959 HydrophobicContact CD1-CG 4.5Å; I838-E959 HydrophobicContact CG2-CB 4.04Å; L839-E959 HydrophobicContact CD2-CB 4.23Å; F869-E959 HydrophobicContact CE1-CG 4.04Å; L872-E959 HydrophobicContact CD2-CG 3.67Å; L872-E959 WeakPolarHBondContact CD2-OE1 3.33Å; Y876-E959 PolarHBondContact OH-OE1 3.35Å; V957-E959 PolarHBondContact O-N 3.29Å; E959-F963 WeakPolarHBondContact O-CB 3.29Å; E959-F963 PolarHBondContact O-N 3.33Å; E959-R1003 IonicContact OE1-CZ 3.49Å; E959-R1003 IonicContact OE1-NH1 3.87Å; E959-R1003 PolarHBondContact OE1-NH1 3.05Å |
| 960 | Y | 88.8 | Confident | 81.9 | Confident | 4 Ų | 4 | 51 Ų | 51 | 2% | 0.016 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71 | -41.8 | 177.4 | -71.3 | -101.4 | 0 | 0 | 0 | 110.9 | F869 L872 D958 K964 I996 L999 | F869-Y960 HydrophobicContact CB-CE1 4.46Å; F869-Y960 AromaticContact CD1-CD1 3.77Å; F869-Y960 HydrophobicContact CD1-CD1 3.77Å; F869-Y960 HydrophobicContact CD1-CD2 4.17Å; F869-Y960 AromaticContact CD1-CE1 3.29Å; F869-Y960 HydrophobicContact CD1-CE1 3.29Å; F869-Y960 AromaticContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CE2 3.79Å; F869-Y960 HydrophobicContact CD1-CG 4.18Å; F869-Y960 AromaticContact CD1-CZ 3.33Å; F869-Y960 AromaticContact CE1-CD1 3.63Å; F869-Y960 HydrophobicContact CE1-CD1 3.63Å; F869-Y960 AromaticContact CE1-CD2 3.76Å; F869-Y960 HydrophobicContact CE1-CD2 3.76Å; F869-Y960 AromaticContact CE1-CE1 3.67Å; F869-Y960 HydrophobicContact CE1-CE1 3.67Å; F869-Y960 AromaticContact CE1-CE2 3.85Å; F869-Y960 HydrophobicContact CE1-CE2 3.85Å; F869-Y960 AromaticContact CE1-CG 3.67Å; F869-Y960 HydrophobicContact CE1-CG 3.67Å; F869-Y960 AromaticContact CE1-CZ 3.81Å; F869-Y960 HydrophobicContact CG-CE1 4.11Å; F869-Y960 HydrophobicContact CZ-CD1 4.47Å; F869-Y960 PolarHBondContact O-OH 2.96Å; L872-Y960 HydrophobicContact CD2-CE2 3.89Å; D958-Y960 VanDerWaalsContact C-N 3.3Å; D958-Y960 PolarHBondContact O-N 3.24Å; D958-Y960 WeakPolarHBondContact OD1-CA 3.28Å; D958-Y960 WeakPolarHBondContact OD1-CB 3.43Å; D958-Y960 PolarHBondContact OD1-N 2.84Å; Y960-K964 WeakPolarHBondContact O-CB 3.38Å; Y960-K964 PolarHBondContact O-N 3.44Å; Y960-K964 VanDerWaalsContact O-N 3.07Å; Y960-I996 HydrophobicContact CD1-CG2 3.76Å; Y960-I996 HydrophobicContact CE1-CG1 4.47Å; Y960-I996 HydrophobicContact CE1-CG2 4.14Å; Y960-L999 HydrophobicContact CD1-CB 4.37Å; Y960-L999 HydrophobicContact CD1-CD2 4.07Å; Y960-L999 HydrophobicContact CD1-CG 4.31Å; Y960-L999 HydrophobicContact CE1-CD2 3.55Å; Y960-L999 HydrophobicContact CE1-CG 4.28Å |
| 961 | Q | 88.6 | Confident | 82.2 | Confident | 56 Ų | 56 | 55.9 Ų | 55.9 | 26% | 0.262 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -66.8 | -43.6 | 177.4 | -68.6 | -176.8 | 51 | 0 | 0 | 111.7 | D958 K964 A965 R1004 | D958-Q961 HydrophobicContact CB-CB 4.07Å; D958-Q961 HydrophobicContact CB-CG 4.03Å; D958-Q961 PolarHBondContact O-N 3.11Å; D958-Q961 PolarHBondContact OD1-N 3.28Å; D958-Q961 WeakPolarHBondContact OD2-CG 3.47Å; D958-Q961 PolarHBondContact OD2-NE2 2.97Å; Q961-K964 PolarHBondContact O-N 3.47Å; Q961-A965 WeakPolarHBondContact O-CB 3.44Å; Q961-A965 PolarHBondContact O-N 2.95Å; Q961-R1004 HydrophobicContact CG-CB 4.29Å |
| 962 | I | 89.9 | Confident | 82.5 | Confident | 53 Ų | 53 | 58.3 Ų | 58.3 | 27% | 0.272 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.2 | -50 | 178.2 | -70.4 | 167 | 0 | 0 | 0 | 110.5 | L839 C842 V957 D958 K964 A965 I966 | L839-I962 HydrophobicContact CD2-CB 4.47Å; L839-I962 HydrophobicContact CD2-CD1 3.71Å; L839-I962 HydrophobicContact CD2-CG2 4.27Å; C842-I962 HydrophobicContact CB-CG2 4.32Å; V957-I962 HydrophobicContact CG1-CD1 3.43Å; V957-I962 VanDerWaalsContact CG1-CD1 3.43Å; D958-I962 WeakPolarHBondContact O-CG1 3.41Å; D958-I962 PolarHBondContact O-N 3.43Å; I962-K964 VanDerWaalsContact C-N 3.35Å; I962-K964 PolarHBondContact O-N 3.34Å; I962-A965 PolarHBondContact O-N 3Å; I962-I966 HydrophobicContact CG2-CD1 3.69Å; I962-I966 WeakPolarHBondContact O-CG1 3.12Å; I962-I966 PolarHBondContact O-N 3.46Å |
| 963 | F | 92.8 | Very high | 83.4 | Confident | 7 Ų | 7 | 60.6 Ų | 60.6 | 3% | 0.031 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -58 | -46.4 | 179.1 | 176.7 | -99.7 | 0 | 0 | 0 | 111.9 | L862 A865 F869 E959 A965 I966 L967 L993 I996 | L862-F963 HydrophobicContact CD2-CE2 3.94Å; L862-F963 HydrophobicContact CD2-CZ 3.74Å; A865-F963 HydrophobicContact CB-CE2 3.89Å; A865-F963 HydrophobicContact CB-CZ 4.34Å; F869-F963 HydrophobicContact CE2-CB 4.06Å; F869-F963 AromaticContact CE2-CD1 3.7Å; F869-F963 HydrophobicContact CE2-CD1 3.7Å; F869-F963 AromaticContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CD2 3.91Å; F869-F963 HydrophobicContact CE2-CE1 4.05Å; F869-F963 HydrophobicContact CE2-CE2 4.25Å; F869-F963 AromaticContact CE2-CG 3.62Å; F869-F963 HydrophobicContact CE2-CG 3.62Å; F869-F963 HydrophobicContact CE2-CZ 4.3Å; F869-F963 HydrophobicContact CZ-CB 3.71Å; F869-F963 HydrophobicContact CZ-CD1 4.07Å; F869-F963 HydrophobicContact CZ-CD2 4.4Å; F869-F963 AromaticContact CZ-CG 3.82Å; F869-F963 HydrophobicContact CZ-CG 3.82Å; E959-F963 WeakPolarHBondContact O-CB 3.29Å; E959-F963 PolarHBondContact O-N 3.33Å; F963-A965 PolarHBondContact O-N 3.13Å; F963-I966 PolarHBondContact O-N 2.93Å; F963-L967 HydrophobicContact CE1-CD2 4.27Å; F963-L967 HydrophobicContact CZ-CD2 4.46Å; F963-L967 WeakPolarHBondContact O-CB 3.43Å; F963-L967 PolarHBondContact O-N 3.47Å; F963-L993 HydrophobicContact CE1-CD1 3.65Å; F963-L993 HydrophobicContact CZ-CD1 3.83Å; F963-I996 HydrophobicContact CD1-CG2 4.13Å; F963-I996 HydrophobicContact CE1-CG2 4.28Å |
| 964 | K | 91 | Very high | 84.6 | Confident | 37 Ų | 37 | 55.6 Ų | 55.6 | 16% | 0.161 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 177.9 | -179.3 | 174.7 | -177.1 | 171 | 0 | 112.4 | Y960 Q961 I962 L967 Q968 G997 A1000 D1001 | Y960-K964 WeakPolarHBondContact O-CB 3.38Å; Y960-K964 PolarHBondContact O-N 3.44Å; Y960-K964 VanDerWaalsContact O-N 3.07Å; Q961-K964 PolarHBondContact O-N 3.47Å; I962-K964 VanDerWaalsContact C-N 3.35Å; I962-K964 PolarHBondContact O-N 3.34Å; K964-L967 PolarHBondContact O-N 2.97Å; K964-Q968 WeakPolarHBondContact O-CG 3.47Å; K964-Q968 PolarHBondContact O-N 3.13Å; K964-G997 PolarHBondContact NZ-O 3.01Å; K964-A1000 HydrophobicContact CB-CB 4.22Å; K964-A1000 HydrophobicContact CD-CB 3.83Å; K964-D1001 IonicContact NZ-OD1 2.67Å; K964-D1001 PolarHBondContact NZ-OD1 3.11Å; K964-D1001 IonicContact NZ-OD2 3.2Å; K964-D1001 PolarHBondContact NZ-OD2 3.15Å |
| 965 | A | 90.9 | Very high | 86.1 | Confident | 42 Ų | 42 | 53.4 Ų | 53.4 | 35% | 0.347 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -62 | -44.1 | -179.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | Q961 I962 F963 Q968 N969 | Q961-A965 WeakPolarHBondContact O-CB 3.44Å; Q961-A965 PolarHBondContact O-N 2.95Å; I962-A965 PolarHBondContact O-N 3Å; F963-A965 PolarHBondContact O-N 3.13Å; A965-Q968 PolarHBondContact O-N 3.47Å; A965-N969 WeakPolarHBondContact O-CB 3.3Å; A965-N969 PolarHBondContact O-N 3.29Å; A965-N969 PolarHBondContact O-ND2 3.13Å |
| 966 | I | 91.4 | Very high | 87.4 | Confident | 21 Ų | 21 | 51.1 Ų | 51.1 | 11% | 0.108 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.3 | -46 | 177.9 | -71.8 | 167.4 | 0 | 0 | 0 | 110.9 | C842 I845 D846 I962 F963 Q968 N969 I970 | C842-I966 HydrophobicContact CB-CD1 3.56Å; I845-I966 HydrophobicContact CB-CG2 4.48Å; I845-I966 HydrophobicContact CG2-CG2 3.8Å; D846-I966 HydrophobicContact CB-CD1 4.37Å; D846-I966 HydrophobicContact CB-CG1 4.39Å; D846-I966 HydrophobicContact CB-CG2 3.93Å; I962-I966 HydrophobicContact CG2-CD1 3.69Å; I962-I966 WeakPolarHBondContact O-CG1 3.12Å; I962-I966 PolarHBondContact O-N 3.46Å; F963-I966 PolarHBondContact O-N 2.93Å; I966-Q968 VanDerWaalsContact C-N 3.34Å; I966-Q968 PolarHBondContact O-N 3.44Å; I966-N969 PolarHBondContact O-N 3.13Å; I966-I970 HydrophobicContact CG2-CD1 3.71Å; I966-I970 HydrophobicContact CG2-CG1 4.49Å; I966-I970 WeakPolarHBondContact O-CG1 3.4Å; I966-I970 PolarHBondContact O-N 3.4Å |
| 967 | L | 90.4 | Very high | 88.6 | Confident | 22 Ų | 22 | 47.6 Ų | 47.6 | 12% | 0.115 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -63.1 | -40.6 | -179 | -169.4 | 64 | 0 | 0 | 0 | 111.9 | L862 F963 K964 Q971 Y978 L993 | L862-L967 HydrophobicContact CD1-CD1 4.47Å; L862-L967 HydrophobicContact CD2-CD1 4.37Å; F963-L967 HydrophobicContact CE1-CD2 4.27Å; F963-L967 HydrophobicContact CZ-CD2 4.46Å; F963-L967 WeakPolarHBondContact O-CB 3.43Å; F963-L967 PolarHBondContact O-N 3.47Å; K964-L967 PolarHBondContact O-N 2.97Å; L967-Q971 PolarHBondContact O-N 3.14Å; L967-Y978 HydrophobicContact CD1-CD2 4.06Å; L967-Y978 HydrophobicContact CD1-CE2 3.72Å; L967-Y978 HydrophobicContact CG-CE2 3.91Å; L967-L993 HydrophobicContact CD2-CD1 4.18Å; L967-L993 HydrophobicContact CD2-CD2 4.31Å |
| 968 | Q | 89.1 | Confident | 89.2 | Confident | 106 Ų | 106 | 48.7 Ų | 48.7 | 50% | 0.495 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -66.2 | -42.3 | 174 | -72.2 | 179.8 | -11.5 | 0 | 0 | 112.3 | K964 A965 I966 I970 Q971 S972 | K964-Q968 WeakPolarHBondContact O-CG 3.47Å; K964-Q968 PolarHBondContact O-N 3.13Å; A965-Q968 PolarHBondContact O-N 3.47Å; I966-Q968 VanDerWaalsContact C-N 3.34Å; I966-Q968 PolarHBondContact O-N 3.44Å; Q968-I970 PolarHBondContact O-N 3.48Å; Q968-Q971 WeakPolarHBondContact O-CB 3.43Å; Q968-Q971 PolarHBondContact O-N 3.5Å; Q968-S972 PolarHBondContact O-N 3.23Å |
| 969 | N | 90.6 | Very high | 89.4 | Confident | 91 Ų | 91 | 54.4 Ų | 54.4 | 49% | 0.487 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -61.7 | -44.6 | 177.3 | -76.8 | -20 | 0 | 0 | 0 | 111 | A965 I966 Q971 S972 R973 | A965-N969 WeakPolarHBondContact O-CB 3.3Å; A965-N969 PolarHBondContact O-N 3.29Å; A965-N969 PolarHBondContact O-ND2 3.13Å; I966-N969 PolarHBondContact O-N 3.13Å; N969-Q971 PolarHBondContact O-N 2.87Å; N969-S972 PolarHBondContact O-N 3.49Å; N969-S972 VanDerWaalsContact O-N 3.11Å; N969-S972 PolarHBondContact O-OG 2.96Å; N969-R973 VanDerWaalsContact O-CB 3.32Å; N969-R973 WeakPolarHBondContact O-CB 3.46Å; N969-R973 PolarHBondContact O-N 3.1Å |
| 970 | I | 89.5 | Confident | 89.3 | Confident | 0 Ų | 0 | 56.7 Ų | 56.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -66.8 | -37.8 | 178.7 | -70.6 | 168.3 | 0 | 0 | 0 | 111.9 | I845 I966 Q968 S972 R973 D974 W977 | I845-I970 HydrophobicContact CB-CD1 4.36Å; I845-I970 HydrophobicContact CG2-CD1 3.12Å; I845-I970 WeakPolarHBondContact O-CD1 3.4Å; I966-I970 HydrophobicContact CG2-CD1 3.71Å; I966-I970 HydrophobicContact CG2-CG1 4.49Å; I966-I970 WeakPolarHBondContact O-CG1 3.4Å; I966-I970 PolarHBondContact O-N 3.4Å; Q968-I970 PolarHBondContact O-N 3.48Å; I970-S972 PolarHBondContact O-N 3Å; I970-S972 VanDerWaalsContact O-N 3.14Å; I970-R973 PolarHBondContact O-N 3.2Å; I970-D974 CarbonylContact O-C 3.59Å; I970-D974 VanDerWaalsContact O-C 3.23Å; I970-D974 PolarHBondContact O-N 3.4Å; I970-W977 HydrophobicContact CG2-CB 4.45Å; I970-W977 HydrophobicContact CG2-CG 4.4Å |
| 971 | Q | 88.4 | Confident | 89.3 | Confident | 106 Ų | 106 | 56.5 Ų | 56.5 | 50% | 0.495 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -55.4 | -33.4 | 173.8 | -166.9 | 179.9 | 28.7 | 0 | 0 | 112 | L967 Q968 N969 Y978 | L967-Q971 PolarHBondContact O-N 3.14Å; Q968-Q971 WeakPolarHBondContact O-CB 3.43Å; Q968-Q971 PolarHBondContact O-N 3.5Å; N969-Q971 PolarHBondContact O-N 2.87Å; Q971-Y978 HydrophobicContact CB-CD2 3.73Å; Q971-Y978 HydrophobicContact CB-CE2 3.87Å; Q971-Y978 HydrophobicContact CB-CG 4.15Å; Q971-Y978 HydrophobicContact CG-CD1 4.21Å; Q971-Y978 HydrophobicContact CG-CD2 4.12Å; Q971-Y978 HydrophobicContact CG-CE1 4.2Å; Q971-Y978 HydrophobicContact CG-CE2 4.08Å; Q971-Y978 HydrophobicContact CG-CG 4.17Å |
| 972 | S | 87.2 | Confident | 89.3 | Confident | 94 Ų | 94 | 55 Ų | 55 | 66% | 0.657 | 30% | 0.302 | S | S | * | . | H | α-helix | trans | -88 | -38 | 177 | 76.7 | 0 | 0 | 0 | 0 | 114.3 | Q968 N969 I970 | Q968-S972 PolarHBondContact O-N 3.23Å; N969-S972 PolarHBondContact O-N 3.49Å; N969-S972 VanDerWaalsContact O-N 3.11Å; N969-S972 PolarHBondContact O-OG 2.96Å; I970-S972 PolarHBondContact O-N 3Å; I970-S972 VanDerWaalsContact O-N 3.14Å |
| 973 | R | 91.1 | Very high | 89 | Confident | 118 Ų | 118 | 59.8 Ų | 59.8 | 45% | 0.445 | 32% | 0.322 | S | S | . | . | H | α-helix | trans | -83.3 | -43.1 | -173.6 | -174.6 | 179.9 | 68.1 | -170.4 | -14.6 | 112.8 | D846 D848 N969 I970 | D846-R973 PolarHBondContact O-NH2 3.48Å; D846-R973 IonicContact OD1-CZ 2.91Å; D846-R973 IonicContact OD1-NH1 2.83Å; D846-R973 PolarHBondContact OD1-NH1 3.47Å; D846-R973 IonicContact OD1-NH2 3.42Å; D846-R973 PolarHBondContact OD1-NH2 2.84Å; D848-R973 IonicContact OD1-CZ 2.77Å; D848-R973 IonicContact OD1-NE 3.94Å; D848-R973 IonicContact OD1-NH1 3.59Å; D848-R973 PolarHBondContact OD1-NH1 3.19Å; N969-R973 VanDerWaalsContact O-CB 3.32Å; N969-R973 WeakPolarHBondContact O-CB 3.46Å; N969-R973 PolarHBondContact O-N 3.1Å; I970-R973 PolarHBondContact O-N 3.2Å |
| 974 | D | 88.3 | Confident | 88.6 | Confident | 44 Ų | 44 | 63.1 Ų | 63.1 | 24% | 0.235 | 34% | 0.344 | C | S | . | . | trans | -141.4 | 84 | -178 | -171 | -13 | 0 | 0 | 0 | 111.6 | R850 I970 A976 W977 Y978 | R850-D974 IonicContact CZ-OD2 3.6Å; R850-D974 IonicContact NH2-OD2 2.77Å; R850-D974 PolarHBondContact NH2-OD2 2.97Å; I970-D974 CarbonylContact O-C 3.59Å; I970-D974 VanDerWaalsContact O-C 3.23Å; I970-D974 PolarHBondContact O-N 3.4Å; D974-A976 PolarHBondContact O-N 3.02Å; D974-A976 PolarHBondContact OD1-N 2.82Å; D974-W977 HydrophobicContact CB-CB 3.99Å; D974-W977 PolarHBondContact O-N 3.01Å; D974-W977 PolarHBondContact OD1-N 3.49Å; D974-W977 WeakPolarHBondContact OD2-CB 3.35Å; D974-Y978 PolarHBondContact O-N 3.28Å | ||
| 975 | P | 87.1 | Confident | 88.4 | Confident | 75 Ų | 75 | 61.8 Ų | 61.8 | 49% | 0.487 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -63.3 | -26.8 | -179.9 | -22.4 | 33.2 | 0 | 0 | 0 | 113.9 | Q979 | P975-Q979 WeakPolarHBondContact O-CG 3.44Å; P975-Q979 PolarHBondContact O-N 3.28Å |
| 976 | A | 87.7 | Confident | 88.4 | Confident | 71 Ų | 71 | 63.6 Ų | 63.6 | 59% | 0.587 | 34% | 0.342 | S | S | * | . | H | α-helix | trans | -72.3 | -40.6 | 178.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | D974 Q979 A980 | D974-A976 PolarHBondContact O-N 3.02Å; D974-A976 PolarHBondContact OD1-N 2.82Å; A976-Q979 PolarHBondContact O-N 3.42Å; A976-A980 PolarHBondContact O-N 3.33Å |
| 977 | W | 90 | Very high | 88.1 | Confident | 10 Ų | 10 | 71.1 Ų | 71.1 | 4% | 0.038 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.7 | -43.9 | 172.2 | -176.5 | -138 | 0 | 0 | 0 | 112.3 | I845 I854 L861 I970 D974 Q979 A980 L981 | I845-W977 PolarHBondContact O-NE1 3.16Å; I854-W977 HydrophobicContact CG2-CH2 4Å; I854-W977 HydrophobicContact CG2-CZ2 4.06Å; L861-W977 HydrophobicContact CD1-CH2 4.16Å; L861-W977 HydrophobicContact CD1-CZ2 3.98Å; I970-W977 HydrophobicContact CG2-CB 4.45Å; I970-W977 HydrophobicContact CG2-CG 4.4Å; D974-W977 HydrophobicContact CB-CB 3.99Å; D974-W977 PolarHBondContact O-N 3.01Å; D974-W977 PolarHBondContact OD1-N 3.49Å; D974-W977 WeakPolarHBondContact OD2-CB 3.35Å; W977-Q979 VanDerWaalsContact C-N 3.26Å; W977-Q979 PolarHBondContact O-N 3.47Å; W977-A980 HydrophobicContact CE3-CB 3.86Å; W977-A980 HydrophobicContact CZ3-CB 4.23Å; W977-A980 WeakPolarHBondContact O-CB 3.44Å; W977-A980 PolarHBondContact O-N 2.86Å; W977-L981 HydrophobicContact CD2-CD1 4.28Å; W977-L981 HydrophobicContact CD2-CD2 4.32Å; W977-L981 HydrophobicContact CD2-CG 4.01Å; W977-L981 HydrophobicContact CE3-CG 4.41Å; W977-L981 HydrophobicContact CG-CD1 4.36Å; W977-L981 HydrophobicContact CG-CG 4.48Å; W977-L981 HydrophobicContact CH2-CD2 3.92Å; W977-L981 HydrophobicContact CZ2-CD2 3.62Å; W977-L981 HydrophobicContact CZ2-CG 4.21Å; W977-L981 HydrophobicContact CZ3-CD2 4.38Å; W977-L981 WeakPolarHBondContact O-CG 3.46Å; W977-L981 PolarHBondContact O-N 3.42Å |
| 978 | Y | 88.4 | Confident | 88 | Confident | 52 Ų | 52 | 76.5 Ų | 76.5 | 20% | 0.204 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -55.6 | -42.1 | 174.7 | -174.4 | -92.2 | 0 | 0 | 0 | 112.3 | L967 Q971 D974 L981 T982 | L967-Y978 HydrophobicContact CD1-CD2 4.06Å; L967-Y978 HydrophobicContact CD1-CE2 3.72Å; L967-Y978 HydrophobicContact CG-CE2 3.91Å; Q971-Y978 HydrophobicContact CB-CD2 3.73Å; Q971-Y978 HydrophobicContact CB-CE2 3.87Å; Q971-Y978 HydrophobicContact CB-CG 4.15Å; Q971-Y978 HydrophobicContact CG-CD1 4.21Å; Q971-Y978 HydrophobicContact CG-CD2 4.12Å; Q971-Y978 HydrophobicContact CG-CE1 4.2Å; Q971-Y978 HydrophobicContact CG-CE2 4.08Å; Q971-Y978 HydrophobicContact CG-CG 4.17Å; D974-Y978 PolarHBondContact O-N 3.28Å; Y978-L981 PolarHBondContact O-N 3.01Å; Y978-T982 HydrophobicContact CD1-CG2 4.35Å; Y978-T982 HydrophobicContact CE1-CG2 3.92Å; Y978-T982 HydrophobicContact CE2-CG2 4.29Å; Y978-T982 WeakPolarHBondContact O-CB 3.28Å; Y978-T982 WeakPolarHBondContact O-CG2 3.39Å; Y978-T982 PolarHBondContact O-N 3.26Å; Y978-T982 VanDerWaalsContact O-N 3.11Å; Y978-T982 PolarHBondContact O-OG1 3.47Å |
| 979 | Q | 87.5 | Confident | 87.9 | Confident | 133 Ų | 133 | 73.4 Ų | 73.4 | 62% | 0.621 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -65.4 | -40.7 | 174.7 | -76.8 | -177.5 | 1.2 | 0 | 0 | 112.5 | P975 A976 W977 L981 T982 H983 | P975-Q979 WeakPolarHBondContact O-CG 3.44Å; P975-Q979 PolarHBondContact O-N 3.28Å; A976-Q979 PolarHBondContact O-N 3.42Å; W977-Q979 VanDerWaalsContact C-N 3.26Å; W977-Q979 PolarHBondContact O-N 3.47Å; Q979-L981 VanDerWaalsContact C-N 3.3Å; Q979-L981 PolarHBondContact O-N 2.8Å; Q979-T982 PolarHBondContact O-N 3.4Å; Q979-H983 WeakPolarHBondContact O-CB 3.4Å; Q979-H983 PolarHBondContact O-N 2.91Å |
| 980 | A | 87.1 | Confident | 87.7 | Confident | 48 Ų | 48 | 75.2 Ų | 75.2 | 40% | 0.397 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -63.2 | -37.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | A976 W977 | A976-A980 PolarHBondContact O-N 3.33Å; W977-A980 HydrophobicContact CE3-CB 3.86Å; W977-A980 HydrophobicContact CZ3-CB 4.23Å; W977-A980 WeakPolarHBondContact O-CB 3.44Å; W977-A980 PolarHBondContact O-N 2.86Å |
| 981 | L | 87.4 | Confident | 87.7 | Confident | 0 Ų | 0 | 81.4 Ų | 81.4 | 0% | 0 | 41% | 0.414 | C | S | . | . | H | α-helix | trans | -69.4 | -37 | 176.1 | -67.1 | 175.7 | 0 | 0 | 0 | 112.6 | I845 G858 L861 L862 W977 Y978 Q979 | I845-L981 HydrophobicContact CG2-CD1 4.06Å; G858-L981 VanDerWaalsContact O-CD2 3.26Å; G858-L981 WeakPolarHBondContact O-CD2 3.37Å; L861-L981 HydrophobicContact CB-CD2 4.23Å; L861-L981 HydrophobicContact CD1-CD2 3.98Å; L862-L981 HydrophobicContact CD1-CB 3.75Å; L862-L981 WeakPolarHBondContact CD1-O 3.24Å; L862-L981 HydrophobicContact CG-CB 4.03Å; W977-L981 HydrophobicContact CD2-CD1 4.28Å; W977-L981 HydrophobicContact CD2-CD2 4.32Å; W977-L981 HydrophobicContact CD2-CG 4.01Å; W977-L981 HydrophobicContact CE3-CG 4.41Å; W977-L981 HydrophobicContact CG-CD1 4.36Å; W977-L981 HydrophobicContact CG-CG 4.48Å; W977-L981 HydrophobicContact CH2-CD2 3.92Å; W977-L981 HydrophobicContact CZ2-CD2 3.62Å; W977-L981 HydrophobicContact CZ2-CG 4.21Å; W977-L981 HydrophobicContact CZ3-CD2 4.38Å; W977-L981 WeakPolarHBondContact O-CG 3.46Å; W977-L981 PolarHBondContact O-N 3.42Å; Y978-L981 PolarHBondContact O-N 3.01Å; Q979-L981 VanDerWaalsContact C-N 3.3Å; Q979-L981 PolarHBondContact O-N 2.8Å |
| 982 | T | 88.3 | Confident | 87.6 | Confident | 25 Ų | 25 | 79.4 Ų | 79.4 | 15% | 0.153 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -99.7 | -16.5 | -169.1 | 55 | 0 | 0 | 0 | 0 | 115.2 | L862 Y978 Q979 T984 L985 | L862-T982 HydrophobicContact CD1-CG2 3.74Å; Y978-T982 HydrophobicContact CD1-CG2 4.35Å; Y978-T982 HydrophobicContact CE1-CG2 3.92Å; Y978-T982 HydrophobicContact CE2-CG2 4.29Å; Y978-T982 WeakPolarHBondContact O-CB 3.28Å; Y978-T982 WeakPolarHBondContact O-CG2 3.39Å; Y978-T982 PolarHBondContact O-N 3.26Å; Y978-T982 VanDerWaalsContact O-N 3.11Å; Y978-T982 PolarHBondContact O-OG1 3.47Å; Q979-T982 PolarHBondContact O-N 3.4Å; T982-T984 VanDerWaalsContact C-N 3.3Å; T982-T984 PolarHBondContact O-N 3.09Å; T982-L985 HydrophobicContact CG2-CD1 4.38Å; T982-L985 PolarHBondContact O-N 3.47Å |
| 983 | H | 85.3 | Confident | 87.7 | Confident | 153 Ų | 153 | 76.1 Ų | 76.1 | 71% | 0.708 | 38% | 0.379 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -29.1 | -174.8 | -178.6 | -76.4 | 0 | 0 | 0 | 113.4 | Q979 | Q979-H983 WeakPolarHBondContact O-CB 3.4Å; Q979-H983 PolarHBondContact O-N 2.91Å |
| 984 | T | 83.8 | Confident | 87.5 | Confident | 78 Ų | 78 | 76.6 Ų | 76.6 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -83.1 | -10.3 | -178.5 | 45.3 | 0 | 0 | 0 | 0 | 114 | G859 T982 | G859-T984 WeakPolarHBondContact CA-OG1 3.29Å; G859-T984 PolarHBondContact O-OG1 3.49Å; T982-T984 VanDerWaalsContact C-N 3.3Å; T982-T984 PolarHBondContact O-N 3.09Å |
| 985 | L | 87.8 | Confident | 87.5 | Confident | 8 Ų | 8 | 78.7 Ų | 78.7 | 4% | 0.042 | 40% | 0.399 | C | S | . | . | trans | -73.6 | 129.1 | -177.8 | -59.4 | 176 | 0 | 0 | 0 | 111.8 | L862 P863 I866 T982 Q989 R990 L993 | L862-L985 HydrophobicContact CB-CD1 4.44Å; L862-L985 HydrophobicContact CB-CD2 4.01Å; L862-L985 HydrophobicContact CD1-CD1 4Å; P863-L985 HydrophobicContact CG-CD2 3.89Å; I866-L985 HydrophobicContact CD1-CD2 3.99Å; T982-L985 HydrophobicContact CG2-CD1 4.38Å; T982-L985 PolarHBondContact O-N 3.47Å; L985-Q989 HydrophobicContact CB-CB 4.32Å; L985-Q989 HydrophobicContact CD2-CB 4.1Å; L985-R990 HydrophobicContact CB-CG 3.93Å; L985-R990 PolarHBondContact O-NE 3.3Å; L985-R990 PolarHBondContact O-NH2 3.49Å; L985-L993 HydrophobicContact CD1-CD2 3.97Å | ||
| 986 | D | 89.1 | Confident | 87.6 | Confident | 80 Ų | 80 | 76 Ų | 76 | 43% | 0.428 | 38% | 0.38 | S | S | . | . | trans | -73.2 | 178.5 | 171.4 | 65.6 | 37.1 | 0 | 0 | 0 | 112.5 | E988 Q989 R990 | D986-E988 VanDerWaalsContact C-N 3.29Å; D986-E988 PolarHBondContact O-N 2.97Å; D986-E988 PolarHBondContact OD1-N 3.3Å; D986-Q989 WeakPolarHBondContact OD1-CB 3.43Å; D986-Q989 VanDerWaalsContact OD1-CG 3.29Å; D986-Q989 WeakPolarHBondContact OD1-CG 3.45Å; D986-Q989 PolarHBondContact OD1-N 2.68Å; D986-R990 WeakPolarHBondContact O-CB 3.43Å; D986-R990 WeakPolarHBondContact O-CD 3.19Å; D986-R990 WeakPolarHBondContact O-CG 3.38Å; D986-R990 PolarHBondContact O-N 3.09Å; D986-R990 VanDerWaalsContact O-N 3.13Å | ||
| 987 | E | 86.2 | Confident | 87.5 | Confident | 180 Ų | 180 | 73.5 Ų | 73.5 | 84% | 0.841 | 36% | 0.361 | S | S | * | . | H | α-helix | trans | -66.5 | -30.4 | -178.4 | -70.8 | -167.7 | 162 | 0 | 0 | 113.1 | K991 | E987-K991 PolarHBondContact O-N 3.05Å |
| 988 | E | 87.6 | Confident | 87.2 | Confident | 134 Ų | 134 | 76.6 Ų | 76.6 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -76.6 | -47.6 | -178.4 | -177.1 | 165 | -166.5 | 0 | 0 | 111.2 | D986 R990 K991 Q992 | D986-E988 VanDerWaalsContact C-N 3.29Å; D986-E988 PolarHBondContact O-N 2.97Å; D986-E988 PolarHBondContact OD1-N 3.3Å; E988-R990 VanDerWaalsContact C-N 3.29Å; E988-R990 PolarHBondContact O-N 3.1Å; E988-K991 WeakPolarHBondContact O-CA 3.42Å; E988-K991 VanDerWaalsContact O-CB 3.32Å; E988-K991 WeakPolarHBondContact O-CB 3.38Å; E988-K991 PolarHBondContact O-N 3.44Å; E988-Q992 PolarHBondContact O-N 3.29Å |
| 989 | Q | 87.6 | Confident | 87 | Confident | 42 Ų | 42 | 76.2 Ų | 76.2 | 20% | 0.196 | 38% | 0.383 | C | S | . | . | H | α-helix | trans | -60.4 | -37.3 | 174.2 | -70.1 | 176.6 | -21.5 | 0 | 0 | 111.8 | I866 L985 D986 K991 Q992 L993 | I866-Q989 HydrophobicContact CD1-CB 3.95Å; L985-Q989 HydrophobicContact CB-CB 4.32Å; L985-Q989 HydrophobicContact CD2-CB 4.1Å; D986-Q989 WeakPolarHBondContact OD1-CB 3.43Å; D986-Q989 VanDerWaalsContact OD1-CG 3.29Å; D986-Q989 WeakPolarHBondContact OD1-CG 3.45Å; D986-Q989 PolarHBondContact OD1-N 2.68Å; Q989-K991 VanDerWaalsContact C-N 3.3Å; Q989-K991 PolarHBondContact O-N 3.42Å; Q989-Q992 PolarHBondContact O-N 3Å; Q989-L993 WeakPolarHBondContact O-CB 3.48Å; Q989-L993 PolarHBondContact O-N 3.24Å |
| 990 | R | 86.9 | Confident | 87 | Confident | 128 Ų | 128 | 70 Ų | 70 | 48% | 0.483 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -63.6 | -36.7 | 173.5 | -75.2 | 169.5 | -170.5 | -130.7 | -1.7 | 112.3 | L985 D986 E988 L994 | L985-R990 HydrophobicContact CB-CG 3.93Å; L985-R990 PolarHBondContact O-NE 3.3Å; L985-R990 PolarHBondContact O-NH2 3.49Å; D986-R990 WeakPolarHBondContact O-CB 3.43Å; D986-R990 WeakPolarHBondContact O-CD 3.19Å; D986-R990 WeakPolarHBondContact O-CG 3.38Å; D986-R990 PolarHBondContact O-N 3.09Å; D986-R990 VanDerWaalsContact O-N 3.13Å; E988-R990 VanDerWaalsContact C-N 3.29Å; E988-R990 PolarHBondContact O-N 3.1Å; R990-L994 WeakPolarHBondContact O-CG 3.49Å; R990-L994 PolarHBondContact O-N 3.14Å |
| 991 | K | 88.3 | Confident | 86.8 | Confident | 131 Ų | 131 | 72 Ų | 72 | 57% | 0.57 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -69.2 | -47.2 | 175.9 | -172.2 | -168.8 | 173.2 | -147.2 | 0 | 110.6 | E987 E988 Q989 L993 L994 E995 | E987-K991 PolarHBondContact O-N 3.05Å; E988-K991 WeakPolarHBondContact O-CA 3.42Å; E988-K991 VanDerWaalsContact O-CB 3.32Å; E988-K991 WeakPolarHBondContact O-CB 3.38Å; E988-K991 PolarHBondContact O-N 3.44Å; Q989-K991 VanDerWaalsContact C-N 3.3Å; Q989-K991 PolarHBondContact O-N 3.42Å; K991-L993 VanDerWaalsContact C-N 3.3Å; K991-L993 PolarHBondContact O-N 3.43Å; K991-L994 WeakPolarHBondContact O-CB 3.04Å; K991-L994 PolarHBondContact O-N 3.25Å; K991-L994 VanDerWaalsContact O-N 3.1Å; K991-E995 WeakPolarHBondContact CE-OE1 3.4Å; K991-E995 IonicContact NZ-OE1 2.6Å; K991-E995 PolarHBondContact NZ-OE1 3.07Å; K991-E995 WeakPolarHBondContact O-CG 3.46Å; K991-E995 PolarHBondContact O-N 3.14Å |
| 992 | Q | 87.9 | Confident | 86.5 | Confident | 63 Ų | 63 | 76.4 Ų | 76.4 | 29% | 0.294 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -58.3 | -40.9 | 175.8 | -70.2 | 172.3 | -21.4 | 0 | 0 | 111.7 | I866 E988 Q989 L994 E995 I996 | I866-Q992 HydrophobicContact CG2-CB 3.83Å; E988-Q992 PolarHBondContact O-N 3.29Å; Q989-Q992 PolarHBondContact O-N 3Å; Q992-L994 VanDerWaalsContact C-N 3.33Å; Q992-L994 PolarHBondContact O-N 3.04Å; Q992-E995 WeakPolarHBondContact O-CB 3.44Å; Q992-E995 PolarHBondContact O-N 3.14Å; Q992-E995 VanDerWaalsContact O-N 3.15Å; Q992-I996 VanDerWaalsContact O-CG1 3.3Å; Q992-I996 WeakPolarHBondContact O-CG1 3.48Å; Q992-I996 PolarHBondContact O-N 3.42Å |
| 993 | L | 88.8 | Confident | 86.1 | Confident | 25 Ų | 25 | 78.1 Ų | 78.1 | 13% | 0.131 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -61.5 | -37.7 | 175.7 | -171.6 | 67.1 | 0 | 0 | 0 | 113 | I866 F963 L967 L985 Q989 K991 G997 | I866-L993 HydrophobicContact CD1-CB 4.27Å; I866-L993 HydrophobicContact CG1-CD1 4.43Å; F963-L993 HydrophobicContact CE1-CD1 3.65Å; F963-L993 HydrophobicContact CZ-CD1 3.83Å; L967-L993 HydrophobicContact CD2-CD1 4.18Å; L967-L993 HydrophobicContact CD2-CD2 4.31Å; L985-L993 HydrophobicContact CD1-CD2 3.97Å; Q989-L993 WeakPolarHBondContact O-CB 3.48Å; Q989-L993 PolarHBondContact O-N 3.24Å; K991-L993 VanDerWaalsContact C-N 3.3Å; K991-L993 PolarHBondContact O-N 3.43Å; L993-G997 PolarHBondContact O-N 3.39Å; L993-G997 VanDerWaalsContact O-N 3.13Å |
| 994 | L | 87.1 | Confident | 85.9 | Confident | 128 Ų | 128 | 77.1 Ų | 77.1 | 67% | 0.67 | 37% | 0.372 | S | S | * | . | H | α-helix | trans | -69 | -38 | 173.9 | -72.5 | 164.4 | 0 | 0 | 0 | 111.8 | R990 K991 Q992 G997 T998 | R990-L994 WeakPolarHBondContact O-CG 3.49Å; R990-L994 PolarHBondContact O-N 3.14Å; K991-L994 WeakPolarHBondContact O-CB 3.04Å; K991-L994 PolarHBondContact O-N 3.25Å; K991-L994 VanDerWaalsContact O-N 3.1Å; Q992-L994 VanDerWaalsContact C-N 3.33Å; Q992-L994 PolarHBondContact O-N 3.04Å; L994-G997 PolarHBondContact O-N 2.83Å; L994-T998 PolarHBondContact O-N 2.98Å; L994-T998 PolarHBondContact O-OG1 3.19Å |
| 995 | E | 87.6 | Confident | 85.6 | Confident | 89 Ų | 89 | 76 Ų | 76 | 42% | 0.416 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -63.8 | -45.9 | 175.3 | -70.3 | 175.1 | -170 | 0 | 0 | 111.1 | K991 Q992 G997 T998 L999 | K991-E995 WeakPolarHBondContact CE-OE1 3.4Å; K991-E995 IonicContact NZ-OE1 2.6Å; K991-E995 PolarHBondContact NZ-OE1 3.07Å; K991-E995 WeakPolarHBondContact O-CG 3.46Å; K991-E995 PolarHBondContact O-N 3.14Å; Q992-E995 WeakPolarHBondContact O-CB 3.44Å; Q992-E995 PolarHBondContact O-N 3.14Å; Q992-E995 VanDerWaalsContact O-N 3.15Å; E995-G997 VanDerWaalsContact C-N 3.31Å; E995-G997 PolarHBondContact O-N 3.43Å; E995-T998 WeakPolarHBondContact O-CB 3.4Å; E995-T998 PolarHBondContact O-N 3.24Å; E995-L999 PolarHBondContact O-N 3.25Å |
| 996 | I | 89.4 | Confident | 84.9 | Confident | 17 Ų | 17 | 78.3 Ų | 78.3 | 9% | 0.087 | 39% | 0.391 | C | S | . | . | H | α-helix | trans | -55.3 | -46.5 | 173.2 | -68.3 | 162.5 | 0 | 0 | 0 | 110.5 | I866 F869 Y960 F963 Q992 T998 L999 A1000 | I866-I996 HydrophobicContact CG1-CD1 4.17Å; F869-I996 HydrophobicContact CB-CD1 3.63Å; F869-I996 HydrophobicContact CB-CG1 3.98Å; F869-I996 HydrophobicContact CD1-CG2 4.43Å; F869-I996 HydrophobicContact CD2-CD1 3.7Å; F869-I996 HydrophobicContact CD2-CG1 4.33Å; F869-I996 HydrophobicContact CD2-CG2 4.01Å; F869-I996 HydrophobicContact CE1-CG2 4.4Å; F869-I996 HydrophobicContact CE2-CG2 4.03Å; F869-I996 HydrophobicContact CG-CD1 3.88Å; F869-I996 HydrophobicContact CG-CG1 4.17Å; F869-I996 HydrophobicContact CG-CG2 4.22Å; F869-I996 HydrophobicContact CZ-CG2 4.22Å; Y960-I996 HydrophobicContact CD1-CG2 3.76Å; Y960-I996 HydrophobicContact CE1-CG1 4.47Å; Y960-I996 HydrophobicContact CE1-CG2 4.14Å; F963-I996 HydrophobicContact CD1-CG2 4.13Å; F963-I996 HydrophobicContact CE1-CG2 4.28Å; Q992-I996 VanDerWaalsContact O-CG1 3.3Å; Q992-I996 WeakPolarHBondContact O-CG1 3.48Å; Q992-I996 PolarHBondContact O-N 3.42Å; I996-T998 VanDerWaalsContact C-N 3.28Å; I996-T998 PolarHBondContact O-N 2.65Å; I996-L999 PolarHBondContact O-N 3.44Å; I996-A1000 PolarHBondContact O-N 2.86Å |
| 997 | G | 84.8 | Confident | 84 | Confident | 19 Ų | 19 | 78.4 Ų | 78.4 | 20% | 0.196 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -64.8 | -29.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 114 | K964 L993 L994 E995 | K964-G997 PolarHBondContact NZ-O 3.01Å; L993-G997 PolarHBondContact O-N 3.39Å; L993-G997 VanDerWaalsContact O-N 3.13Å; L994-G997 PolarHBondContact O-N 2.83Å; E995-G997 VanDerWaalsContact C-N 3.31Å; E995-G997 PolarHBondContact O-N 3.43Å |
| 998 | T | 85.3 | Confident | 83.5 | Confident | 75 Ų | 75 | 74.3 Ų | 74.3 | 46% | 0.46 | 37% | 0.369 | S | S | . | . | H | α-helix | trans | -75.8 | -42.7 | 175.5 | -54.8 | 0 | 0 | 0 | 0 | 110.7 | L994 E995 I996 A1000 D1001 Q1002 | L994-T998 PolarHBondContact O-N 2.98Å; L994-T998 PolarHBondContact O-OG1 3.19Å; E995-T998 WeakPolarHBondContact O-CB 3.4Å; E995-T998 PolarHBondContact O-N 3.24Å; I996-T998 VanDerWaalsContact C-N 3.28Å; I996-T998 PolarHBondContact O-N 2.65Å; T998-A1000 VanDerWaalsContact C-N 3.31Å; T998-A1000 PolarHBondContact O-N 3.34Å; T998-D1001 PolarHBondContact O-N 3.38Å; T998-D1001 VanDerWaalsContact O-N 3.15Å; T998-Q1002 WeakPolarHBondContact O-CG 3.38Å; T998-Q1002 PolarHBondContact O-N 3.33Å; T998-Q1002 VanDerWaalsContact O-N 3.12Å |
| 999 | L | 83.7 | Confident | 82.8 | Confident | 45 Ų | 45 | 71.3 Ų | 71.3 | 24% | 0.236 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -62.1 | -38.8 | 176.3 | -173.6 | 59.1 | 0 | 0 | 0 | 111.5 | Y960 E995 I996 D1001 Q1002 R1003 | Y960-L999 HydrophobicContact CD1-CB 4.37Å; Y960-L999 HydrophobicContact CD1-CD2 4.07Å; Y960-L999 HydrophobicContact CD1-CG 4.31Å; Y960-L999 HydrophobicContact CE1-CD2 3.55Å; Y960-L999 HydrophobicContact CE1-CG 4.28Å; E995-L999 PolarHBondContact O-N 3.25Å; I996-L999 PolarHBondContact O-N 3.44Å; L999-D1001 VanDerWaalsContact C-N 3.32Å; L999-D1001 PolarHBondContact O-N 2.92Å; L999-Q1002 PolarHBondContact O-N 2.77Å; L999-R1003 PolarHBondContact O-N 3.44Å |
| 1000 | A | 86.1 | Confident | 81.8 | Confident | 2 Ų | 2 | 76.4 Ų | 76.4 | 2% | 0.017 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -57.3 | -40.6 | 173 | 0 | 0 | 0 | 0 | 0 | 113 | K964 I996 T998 R1004 | K964-A1000 HydrophobicContact CB-CB 4.22Å; K964-A1000 HydrophobicContact CD-CB 3.83Å; I996-A1000 PolarHBondContact O-N 2.86Å; T998-A1000 VanDerWaalsContact C-N 3.31Å; T998-A1000 PolarHBondContact O-N 3.34Å; A1000-R1004 WeakPolarHBondContact O-CB 3.41Å; A1000-R1004 PolarHBondContact O-N 3.16Å; A1000-R1004 VanDerWaalsContact O-N 3.08Å |
| 1001 | D | 84 | Confident | 80.8 | Confident | 89 Ų | 89 | 74.1 Ų | 74.1 | 48% | 0.476 | 38% | 0.381 | S | S | . | . | H | α-helix | trans | -69.4 | -38.2 | 176.9 | -75.8 | -25.3 | 0 | 0 | 0 | 111.8 | K964 T998 L999 A1005 | K964-D1001 IonicContact NZ-OD1 2.67Å; K964-D1001 PolarHBondContact NZ-OD1 3.11Å; K964-D1001 IonicContact NZ-OD2 3.2Å; K964-D1001 PolarHBondContact NZ-OD2 3.15Å; T998-D1001 PolarHBondContact O-N 3.38Å; T998-D1001 VanDerWaalsContact O-N 3.15Å; L999-D1001 VanDerWaalsContact C-N 3.32Å; L999-D1001 PolarHBondContact O-N 2.92Å; D1001-A1005 WeakPolarHBondContact O-CB 3.22Å; D1001-A1005 PolarHBondContact O-N 3.02Å |
| 1002 | Q | 80.7 | Confident | 79.7 | Confident | 93 Ų | 93 | 72.8 Ų | 72.8 | 44% | 0.435 | 38% | 0.379 | S | S | . | . | H | α-helix | trans | -65.6 | -46.9 | 177.8 | -69.1 | 173.5 | -7.1 | 0 | 0 | 111.2 | T998 L999 R1004 A1005 A1006 | T998-Q1002 WeakPolarHBondContact O-CG 3.38Å; T998-Q1002 PolarHBondContact O-N 3.33Å; T998-Q1002 VanDerWaalsContact O-N 3.12Å; L999-Q1002 PolarHBondContact O-N 2.77Å; Q1002-R1004 VanDerWaalsContact C-N 3.34Å; Q1002-R1004 PolarHBondContact O-N 2.98Å; Q1002-A1005 PolarHBondContact O-N 3.36Å; Q1002-A1006 PolarHBondContact O-N 3.04Å |
| 1003 | R | 80.4 | Confident | 78.5 | Confident | 61 Ų | 61 | 75.9 Ų | 75.9 | 23% | 0.23 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -60.9 | -42.1 | 176.2 | -77.1 | -172.2 | 156.1 | -169.6 | -3.5 | 112.2 | D958 E959 L999 A1005 A1006 H1007 | D958-R1003 WeakPolarHBondContact OD2-CB 3.35Å; E959-R1003 IonicContact OE1-CZ 3.49Å; E959-R1003 IonicContact OE1-NH1 3.87Å; E959-R1003 PolarHBondContact OE1-NH1 3.05Å; L999-R1003 PolarHBondContact O-N 3.44Å; R1003-A1005 PolarHBondContact O-N 3.4Å; R1003-A1006 PolarHBondContact O-N 3.46Å; R1003-H1007 WeakPolarHBondContact O-CB 3.48Å; R1003-H1007 PolarHBondContact O-N 2.93Å |
| 1004 | R | 79.9 | Confident | 77.2 | Confident | 132 Ų | 132 | 81.8 Ų | 81.8 | 50% | 0.498 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -59.1 | -47.3 | 173.6 | -177.1 | 178.5 | 172.3 | 163.3 | 5.9 | 112.5 | Q961 A1000 Q1002 A1006 H1007 E1008 | Q961-R1004 HydrophobicContact CG-CB 4.29Å; A1000-R1004 WeakPolarHBondContact O-CB 3.41Å; A1000-R1004 PolarHBondContact O-N 3.16Å; A1000-R1004 VanDerWaalsContact O-N 3.08Å; Q1002-R1004 VanDerWaalsContact C-N 3.34Å; Q1002-R1004 PolarHBondContact O-N 2.98Å; R1004-A1006 VanDerWaalsContact C-N 3.32Å; R1004-A1006 PolarHBondContact O-N 2.93Å; R1004-H1007 PolarHBondContact O-N 3.18Å; R1004-E1008 IonicContact CZ-OE1 3.85Å; R1004-E1008 IonicContact NE-OE1 3.35Å; R1004-E1008 PolarHBondContact NE-OE1 2.65Å; R1004-E1008 IonicContact NH2-OE1 3.85Å; R1004-E1008 WeakPolarHBondContact O-CB 3.04Å; R1004-E1008 WeakPolarHBondContact O-CG 3.23Å; R1004-E1008 PolarHBondContact O-N 3.18Å |
| 1005 | A | 77.7 | Confident | 75.8 | Confident | 56 Ų | 56 | 82.9 Ų | 82.9 | 46% | 0.463 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.5 | -38 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.1 | D1001 Q1002 R1003 S1009 | D1001-A1005 WeakPolarHBondContact O-CB 3.22Å; D1001-A1005 PolarHBondContact O-N 3.02Å; Q1002-A1005 PolarHBondContact O-N 3.36Å; R1003-A1005 PolarHBondContact O-N 3.4Å; A1005-S1009 WeakPolarHBondContact O-CB 3.32Å; A1005-S1009 PolarHBondContact O-N 3.04Å |
| 1006 | A | 73.9 | Confident | 73.9 | Confident | 55 Ų | 55 | 82 Ų | 82 | 46% | 0.455 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -65.3 | -45.8 | 175.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q1002 R1003 R1004 S1009 K1010 | Q1002-A1006 PolarHBondContact O-N 3.04Å; R1003-A1006 PolarHBondContact O-N 3.46Å; R1004-A1006 VanDerWaalsContact C-N 3.32Å; R1004-A1006 PolarHBondContact O-N 2.93Å; A1006-S1009 WeakPolarHBondContact O-CB 3.48Å; A1006-S1009 PolarHBondContact O-N 3.13Å; A1006-K1010 PolarHBondContact O-N 3.37Å |
| 1007 | H | 71.1 | Confident | 71.7 | Confident | 82 Ų | 82 | 83.2 Ų | 83.2 | 38% | 0.38 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.6 | -45.7 | 175.9 | -178.9 | -88.4 | 0 | 0 | 0 | 112 | R1003 R1004 S1009 K1010 M1011 | R1003-H1007 WeakPolarHBondContact O-CB 3.48Å; R1003-H1007 PolarHBondContact O-N 2.93Å; R1004-H1007 PolarHBondContact O-N 3.18Å; H1007-S1009 PolarHBondContact O-N 2.87Å; H1007-K1010 PolarHBondContact O-N 3.02Å; H1007-M1011 WeakPolarHBondContact O-CG 3.41Å; H1007-M1011 PolarHBondContact O-N 2.69Å |
| 1008 | E | 74.9 | Confident | 70 | Confident | 94 Ų | 94 | 93 Ų | 93 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59 | -37 | 174.7 | -73.4 | 176.4 | -171.9 | 0 | 0 | 111.3 | R1004 I1012 | R1004-E1008 IonicContact CZ-OE1 3.85Å; R1004-E1008 IonicContact NE-OE1 3.35Å; R1004-E1008 PolarHBondContact NE-OE1 2.65Å; R1004-E1008 IonicContact NH2-OE1 3.85Å; R1004-E1008 WeakPolarHBondContact O-CB 3.04Å; R1004-E1008 WeakPolarHBondContact O-CG 3.23Å; R1004-E1008 PolarHBondContact O-N 3.18Å; E1008-I1012 WeakPolarHBondContact O-CD1 3.44Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.18Å; E1008-I1012 PolarHBondContact O-N 2.72Å; E1008-I1012 VanDerWaalsContact O-N 3.1Å |
| 1009 | S | 71.6 | Confident | 67.8 | Low | 72 Ų | 72 | 98.5 Ų | 98.5 | 50% | 0.503 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.9 | -45.6 | 174.6 | -166.4 | 0 | 0 | 0 | 0 | 113 | A1005 A1006 H1007 M1011 I1012 E1013 | A1005-S1009 WeakPolarHBondContact O-CB 3.32Å; A1005-S1009 PolarHBondContact O-N 3.04Å; A1006-S1009 WeakPolarHBondContact O-CB 3.48Å; A1006-S1009 PolarHBondContact O-N 3.13Å; H1007-S1009 PolarHBondContact O-N 2.87Å; S1009-M1011 VanDerWaalsContact C-N 3.3Å; S1009-M1011 PolarHBondContact O-N 3.33Å; S1009-I1012 PolarHBondContact O-N 2.65Å; S1009-E1013 PolarHBondContact O-N 3.47Å |
| 1010 | K | 67.9 | Low | 65.7 | Low | 148 Ų | 148 | 105.9 Ų | 105.9 | 64% | 0.643 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -60.3 | -38.9 | 175.2 | -78.6 | -170.7 | 176.7 | -173.6 | 0 | 111.5 | A1006 H1007 E1013 K1014 | A1006-K1010 PolarHBondContact O-N 3.37Å; H1007-K1010 PolarHBondContact O-N 3.02Å; K1010-E1013 WeakPolarHBondContact O-CB 3.24Å; K1010-E1013 PolarHBondContact O-N 3.28Å; K1010-K1014 PolarHBondContact O-N 3.34Å |
| 1011 | M | 66 | Low | 63.6 | Low | 81 Ų | 81 | 112.9 Ų | 112.9 | 40% | 0.399 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -67.8 | -37.8 | 176.6 | -71.7 | -61.6 | -80.1 | 0 | 0 | 112.5 | H1007 S1009 E1013 H1015 | H1007-M1011 WeakPolarHBondContact O-CG 3.41Å; H1007-M1011 PolarHBondContact O-N 2.69Å; S1009-M1011 VanDerWaalsContact C-N 3.3Å; S1009-M1011 PolarHBondContact O-N 3.33Å; M1011-E1013 VanDerWaalsContact C-N 3.27Å; M1011-E1013 PolarHBondContact O-N 3.04Å; M1011-H1015 PolarHBondContact O-N 3.45Å; M1011-H1015 PolarHBondContact O-ND1 3.49Å |
| 1012 | I | 65.8 | Low | 61.3 | Low | 102 Ų | 102 | 112.1 Ų | 112.1 | 52% | 0.523 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -64.7 | -34.3 | 173.9 | -69 | 163.3 | 0 | 0 | 0 | 111 | E1008 S1009 H1015 G1016 G1017 | E1008-I1012 WeakPolarHBondContact O-CD1 3.44Å; E1008-I1012 WeakPolarHBondContact O-CG1 3.18Å; E1008-I1012 PolarHBondContact O-N 2.72Å; E1008-I1012 VanDerWaalsContact O-N 3.1Å; S1009-I1012 PolarHBondContact O-N 2.65Å; I1012-H1015 PolarHBondContact O-N 3.19Å; I1012-G1016 PolarHBondContact O-N 3.12Å; I1012-G1017 PolarHBondContact O-N 2.99Å |
| 1013 | E | 62.3 | Low | 59.1 | Low | 129 Ų | 129 | 113.6 Ų | 113.6 | 60% | 0.603 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -69.3 | -48.9 | 175.9 | -173.4 | 165.1 | -151 | 0 | 0 | 112.4 | S1009 K1010 M1011 H1015 G1016 | S1009-E1013 PolarHBondContact O-N 3.47Å; K1010-E1013 WeakPolarHBondContact O-CB 3.24Å; K1010-E1013 PolarHBondContact O-N 3.28Å; M1011-E1013 VanDerWaalsContact C-N 3.27Å; M1011-E1013 PolarHBondContact O-N 3.04Å; E1013-H1015 PolarHBondContact O-N 3Å; E1013-H1015 VanDerWaalsContact O-N 3.11Å; E1013-G1016 PolarHBondContact O-N 2.73Å |
| 1014 | K | 61.6 | Low | 57 | Low | 148 Ų | 148 | 116.8 Ų | 116.8 | 64% | 0.643 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.4 | -25.7 | 173.7 | -79.9 | -172.8 | 174.9 | -178.9 | 0 | 112.6 | D954 K1010 | D954-K1014 IonicContact OD1-NZ 3.57Å; D954-K1014 PolarHBondContact OD1-NZ 3.44Å; K1010-K1014 PolarHBondContact O-N 3.34Å |
| 1015 | H | 56.2 | Low | 54.9 | Low | 152 Ų | 152 | 115.6 Ų | 115.6 | 70% | 0.704 | 63% | 0.631 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.6 | 9.2 | 177.8 | -68.8 | 81.3 | 0 | 0 | 0 | 114.9 | M1011 I1012 E1013 | M1011-H1015 PolarHBondContact O-N 3.45Å; M1011-H1015 PolarHBondContact O-ND1 3.49Å; I1012-H1015 PolarHBondContact O-N 3.19Å; E1013-H1015 PolarHBondContact O-N 3Å; E1013-H1015 VanDerWaalsContact O-N 3.11Å |
| 1016 | G | 47.9 | Very low | 52.7 | Low | 71 Ų | 71 | 115.7 Ų | 115.7 | 73% | 0.732 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 79.3 | 23.7 | 172.8 | 0 | 0 | 0 | 0 | 0 | 116 | I1012 E1013 | I1012-G1016 PolarHBondContact O-N 3.12Å; E1013-G1016 PolarHBondContact O-N 2.73Å |
| 1017 | G | 44.7 | Very low | 51.2 | Low | 41 Ų | 41 | 119 Ų | 119 | 42% | 0.423 | 65% | 0.646 | S | S | . | * | P | Polyproline II helix | trans | -80.6 | 147.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | I1012 | I1012-G1017 PolarHBondContact O-N 2.99Š|
| 1018 | Y | 48.1 | Very low | 49.8 | Very low | 224 Ų | 224 | 119.7 Ų | 119.7 | 88% | 0.878 | 66% | 0.657 | S | S | * | * | P | Polyproline II helix | trans | -71.4 | 139.2 | 176.8 | -110.8 | -90.6 | 0 | 0 | 0 | 112.7 | F1020 | Y1018-F1020 PolarHBondContact O-N 3.13Š|
| 1019 | K | 40.3 | Very low | 48.1 | Very low | 191 Ų | 191 | 123.4 Ų | 123.4 | 83% | 0.83 | 67% | 0.671 | S | S | * | * | P | Polyproline II helix | trans | -52.4 | 124.4 | 174.9 | -84.2 | -176.8 | 173.8 | 178.6 | 0 | 112.7 | ||
| 1020 | F | 39.3 | Very low | 46.2 | Very low | 200 Ų | 200 | 126.7 Ų | 126.7 | 88% | 0.877 | 68% | 0.683 | S | S | * | * | P | Polyproline II helix | trans | -93.8 | 131.9 | 153.3 | -81.1 | -85.5 | 0 | 0 | 0 | 108.7 | Y1018 A1022 | Y1018-F1020 PolarHBondContact O-N 3.13Å; F1020-A1022 VanDerWaalsContact C-N 3.26Å; F1020-A1022 PolarHBondContact O-N 3.06Å |
| 1021 | T | 41.4 | Very low | 44.8 | Very low | 150 Ų | 150 | 129 Ų | 129 | 92% | 0.92 | 69% | 0.694 | S | S | * | * | trans | -70.2 | 82.1 | 170 | 45.7 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 1022 | A | 36.2 | Very low | 43.3 | Very low | 73 Ų | 73 | 128.6 Ų | 128.6 | 60% | 0.603 | 71% | 0.71 | S | S | * | * | trans | -79.3 | 153.3 | 157 | 0 | 0 | 0 | 0 | 0 | 108.6 | F1020 V1024 | F1020-A1022 VanDerWaalsContact C-N 3.26Å; F1020-A1022 PolarHBondContact O-N 3.06Å; A1022-V1024 PolarHBondContact O-N 3.46Å; A1022-V1024 VanDerWaalsContact O-N 3.11Å | ||
| 1023 | P | 34.8 | Very low | 41.5 | Very low | 124 Ų | 124 | 127.2 Ų | 127.2 | 81% | 0.805 | 72% | 0.721 | S | S | * | * | trans | -56.8 | 122.9 | 180 | 23.8 | -31.6 | 0 | 0 | 0 | 108.9 | V1025 | P1023-V1025 PolarHBondContact O-N 2.67Å; P1023-V1025 VanDerWaalsContact O-N 3.08Å | ||
| 1024 | V | 35.8 | Very low | 40.1 | Very low | 127 Ų | 127 | 127.8 Ų | 127.8 | 77% | 0.77 | 73% | 0.734 | S | S | * | * | trans | -50 | 114.5 | 172.5 | 178.5 | 0 | 0 | 0 | 0 | 107.2 | A1022 P1026 | A1022-V1024 PolarHBondContact O-N 3.46Å; A1022-V1024 VanDerWaalsContact O-N 3.11Å; V1024-P1026 VanDerWaalsContact O-CD 3.28Å; V1024-P1026 WeakPolarHBondContact O-CD 3.47Å | ||
| 1025 | V | 34.6 | Very low | 38.5 | Very low | 107 Ų | 107 | 125.4 Ų | 125.4 | 65% | 0.648 | 74% | 0.741 | S | S | * | * | trans | -75.8 | 111.2 | 156.5 | -179.4 | 0 | 0 | 0 | 0 | 103.8 | P1023 | P1023-V1025 PolarHBondContact O-N 2.67Å; P1023-V1025 VanDerWaalsContact O-N 3.08Å | ||
| 1026 | P | 33.4 | Very low | 37.4 | Very low | 59 Ų | 59 | 124.6 Ų | 124.6 | 38% | 0.383 | 75% | 0.749 | S | S | . | * | trans | -62.8 | 138.5 | 177.5 | -16.8 | 32.2 | 0 | 0 | 0 | 108.5 | V1024 T1028 F1029 | V1024-P1026 VanDerWaalsContact O-CD 3.28Å; V1024-P1026 WeakPolarHBondContact O-CD 3.47Å; P1026-T1028 VanDerWaalsContact CB-O 3.3Å; P1026-T1028 WeakPolarHBondContact CB-O 3.42Å; P1026-T1028 PolarHBondContact O-N 2.89Å; P1026-F1029 HydrophobicContact CB-CD2 4.2Å; P1026-F1029 HydrophobicContact CG-CD2 3.96Å | ||
| 1027 | S | 41.4 | Very low | 36.5 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 75% | 0.749 | S | S | * | * | S | Bend | trans | -62 | -14.9 | 166.1 | 39.1 | 0 | 0 | 0 | 0 | 112.2 | ||
| 1028 | T | 42.6 | Very low | 35.9 | Very low | 98 Ų | 98 | 131.8 Ų | 131.8 | 60% | 0.601 | 77% | 0.774 | S | S | * | * | trans | -127 | 106.9 | 178.5 | 46.8 | 0 | 0 | 0 | 0 | 109.8 | P1026 | P1026-T1028 VanDerWaalsContact CB-O 3.3Å; P1026-T1028 WeakPolarHBondContact CB-O 3.42Å; P1026-T1028 PolarHBondContact O-N 2.89Å | ||
| 1029 | F | 38.2 | Very low | 35.1 | Very low | 171 Ų | 171 | 132.9 Ų | 132.9 | 75% | 0.75 | 80% | 0.795 | S | S | * | * | trans | -153 | 118.1 | 159.3 | -129.6 | -86.6 | 0 | 0 | 0 | 115.9 | P1026 | P1026-F1029 HydrophobicContact CB-CD2 4.2Å; P1026-F1029 HydrophobicContact CG-CD2 3.96Å | ||
| 1030 | N | 32.7 | Very low | 34.8 | Very low | 141 Ų | 141 | 130 Ų | 130 | 75% | 0.754 | 79% | 0.793 | S | S | * | * | trans | -83.6 | 134.5 | 179.6 | -172.4 | -15.9 | 0 | 0 | 0 | 111.4 | G1032 | N1030-G1032 PolarHBondContact OD1-N 2.82Š| ||
| 1031 | F | 38.3 | Very low | 34.6 | Very low | 198 Ų | 198 | 126.3 Ų | 126.3 | 87% | 0.868 | 79% | 0.789 | S | S | * | * | trans | -108.7 | 59.1 | 175.9 | -85.9 | -80.4 | 0 | 0 | 0 | 112.4 | ||||
| 1032 | G | 33.7 | Very low | 34.2 | Very low | 72 Ų | 72 | 124.9 Ų | 124.9 | 74% | 0.742 | 78% | 0.782 | S | S | * | * | trans | -120.6 | 71.7 | 163.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | N1030 | N1030-G1032 PolarHBondContact OD1-N 2.82Š| ||
| 1033 | G | 27.4 | Very low | 34.1 | Very low | 72 Ų | 72 | 128 Ų | 128 | 74% | 0.742 | 79% | 0.792 | S | S | * | * | trans | -145.1 | 114.2 | -176.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1034 | T | 33.4 | Very low | 34.1 | Very low | 142 Ų | 142 | 128.3 Ų | 128.3 | 87% | 0.871 | 79% | 0.791 | S | S | * | * | trans | -54.9 | 134.3 | -179.1 | 38.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1035 | A | 28 | Very low | 33.9 | Very low | 97 Ų | 97 | 128.3 Ų | 128.3 | 80% | 0.802 | 79% | 0.793 | S | S | * | * | trans | -65 | 129.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | G1037 | A1035-G1037 PolarHBondContact O-N 2.59Š| ||
| 1036 | P | 32.2 | Very low | 33.9 | Very low | 135 Ų | 135 | 129.9 Ų | 129.9 | 88% | 0.877 | 80% | 0.803 | S | S | * | * | trans | -85 | 110.9 | 172.4 | 30.6 | -27.7 | 0 | 0 | 0 | 110.5 | ||||
| 1037 | G | 30.6 | Very low | 33.9 | Very low | 70 Ų | 70 | 135.3 Ų | 135.3 | 72% | 0.722 | 84% | 0.835 | S | S | * | * | trans | 103 | 91.6 | 145.8 | 0 | 0 | 0 | 0 | 0 | 117.9 | A1035 | A1035-G1037 PolarHBondContact O-N 2.59Š| ||
| 1038 | M | 31.2 | Very low | 33.3 | Very low | 194 Ų | 194 | 136.3 Ų | 136.3 | 96% | 0.956 | 83% | 0.833 | S | S | * | * | trans | -142.5 | 110.3 | 134.5 | -79.1 | -159.1 | 179.7 | 0 | 0 | 108.2 | ||||
| 1039 | N | 31.3 | Very low | 32.5 | Very low | 246 Ų | 246 | 139.8 Ų | 139.8 | 100% | 1.316 | 85% | 0.854 | S | S | * | * | trans | 16.6 | 0 | 171.5 | -72.5 | -17.4 | 0 | 0 | 0 | 120 |
Retrieved 1,039 of 1,039 residues in 618.6 ms
(Link to these results)