| 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 | 50.9 | Low | 74.1 | Confident | 59 Ų | 59 | 49.7 Ų | 49.7 | 29% | 0.291 | 24% | 0.243 | S | C | . | . | 0 | 150.7 | 0 | -69.3 | -165.5 | 149.3 | 0 | 0 | 113.9 | L6 D100 L103 E104 L107 | M1-L6 HydrophobicContact CB-CD2 3.83Å; M1-L6 HydrophobicContact SD-CB 4.39Å; M1-D100 WeakPolarHBondContact CA-OD2 3.28Å; M1-D100 WeakPolarHBondContact CE-O 3.35Å; M1-D100 HydrophobicContact CG-CB 4.43Å; M1-D100 VanDerWaalsContact CG-CG 3.43Å; M1-D100 WeakPolarHBondContact CG-OD1 3.3Å; M1-D100 WeakPolarHBondContact CG-OD2 3.34Å; M1-D100 VanDerWaalsContact N-CG 3.34Å; M1-D100 PolarHBondContact N-OD1 3Å; M1-D100 PolarHBondContact N-OD2 3.42Å; M1-L103 HydrophobicContact CE-CB 3.76Å; M1-L103 HydrophobicContact CE-CD2 3.74Å; M1-L103 HydrophobicContact CE-CG 3.54Å; M1-L103 HydrophobicContact SD-CD2 3.86Å; M1-L103 HydrophobicContact SD-CG 4.18Å; M1-E104 HydrophobicContact CE-CB 3.78Å; M1-L107 HydrophobicContact CE-CD1 4.16Å; M1-L107 HydrophobicContact SD-CD1 4.11Å | |||
| 2 | K | 57.2 | Low | 74.3 | Confident | 211 Ų | 211 | 47 Ų | 47 | 92% | 0.917 | 23% | 0.229 | S | C | * | . | trans | -148.2 | 47.6 | 157.6 | -88.1 | -161.4 | 176.8 | -174.3 | 0 | 110.6 | ||||
| 3 | S | 68.7 | Low | 74.2 | Confident | 23 Ų | 23 | 45.3 Ų | 45.3 | 16% | 0.161 | 22% | 0.222 | C | C | . | . | trans | -100.7 | 156.8 | -178.5 | 60.4 | 0 | 0 | 0 | 0 | 113.3 | L5 L6 E104 | S3-L5 PolarHBondContact O-N 2.99Å; S3-L6 WeakPolarHBondContact O-CB 3.37Å; S3-L6 PolarHBondContact O-N 3.43Å; S3-E104 WeakPolarHBondContact CB-OE1 3.47Å; S3-E104 PolarHBondContact OG-OE1 2.77Å | ||
| 4 | D | 80.4 | Confident | 73.5 | Confident | 56 Ų | 56 | 55.5 Ų | 55.5 | 30% | 0.299 | 27% | 0.269 | S | S | . | . | H | α-helix | trans | -59.6 | -27.9 | -179.7 | -59.4 | -44 | 0 | 0 | 0 | 112.6 | L6 L7 W8 V135 I139 | D4-L6 VanDerWaalsContact C-N 3.33Å; D4-L6 PolarHBondContact O-N 3.36Å; D4-L7 PolarHBondContact O-N 2.78Å; D4-W8 PolarHBondContact O-N 3.41Å; D4-V135 HydrophobicContact CB-CG1 3.75Å; D4-I139 HydrophobicContact CB-CG1 4.05Å |
| 5 | L | 80.2 | Confident | 72.3 | Confident | 4 Ų | 4 | 56.4 Ų | 56.4 | 2% | 0.021 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -67.2 | -30.9 | 175.9 | -64.7 | 171.5 | 0 | 0 | 0 | 112.8 | S3 A9 E104 L107 L108 L111 C142 | S3-L5 PolarHBondContact O-N 2.99Å; L5-A9 PolarHBondContact O-N 2.91Å; L5-A9 VanDerWaalsContact O-N 3.14Å; L5-E104 HydrophobicContact CD1-CG 3.79Å; L5-L107 HydrophobicContact CB-CB 4.17Å; L5-L107 HydrophobicContact CB-CD1 4.45Å; L5-L108 HydrophobicContact CD1-CB 3.92Å; L5-L108 HydrophobicContact CD1-CD1 4.34Å; L5-L108 HydrophobicContact CD2-CD1 4.25Å; L5-L111 HydrophobicContact CD2-CB 4.49Å; L5-L111 HydrophobicContact CD2-CD2 3.41Å; L5-L111 VanDerWaalsContact CD2-CD2 3.41Å; L5-C142 HydrophobicContact CD2-CB 4.43Å |
| 6 | L | 78.5 | Confident | 70.9 | Confident | 22 Ų | 22 | 58.3 Ų | 58.3 | 12% | 0.115 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 173.5 | 178 | 62.3 | 0 | 0 | 0 | 111 | M1 S3 D4 W8 A9 Q10 L24 | M1-L6 HydrophobicContact CB-CD2 3.83Å; M1-L6 HydrophobicContact SD-CB 4.39Å; S3-L6 WeakPolarHBondContact O-CB 3.37Å; S3-L6 PolarHBondContact O-N 3.43Å; D4-L6 VanDerWaalsContact C-N 3.33Å; D4-L6 PolarHBondContact O-N 3.36Å; L6-W8 VanDerWaalsContact C-N 3.27Å; L6-W8 PolarHBondContact O-N 3.14Å; L6-A9 PolarHBondContact O-N 2.69Å; L6-Q10 WeakPolarHBondContact O-CG 3.13Å; L6-Q10 PolarHBondContact O-N 2.8Å; L6-L24 HydrophobicContact CD1-CD1 3.54Å; L6-L24 HydrophobicContact CD1-CD2 4.44Å |
| 7 | L | 79.5 | Confident | 70.2 | Confident | 63 Ų | 63 | 63.9 Ų | 63.9 | 33% | 0.33 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62.5 | -35 | 175.2 | -92.1 | 71 | 0 | 0 | 0 | 111.8 | D4 Q10 L131 V135 | D4-L7 PolarHBondContact O-N 2.78Å; L7-Q10 PolarHBondContact O-N 3.07Å; L7-L131 HydrophobicContact CB-CD2 3.91Å; L7-V135 HydrophobicContact CB-CG1 4.24Å; L7-V135 HydrophobicContact CD2-CG1 4.21Å; L7-V135 HydrophobicContact CD2-CG2 4.14Å |
| 8 | W | 84.6 | Confident | 69.7 | Low | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -63.1 | -47.1 | 171.4 | 172.8 | 73.3 | 0 | 0 | 0 | 112.5 | D4 L6 Q10 L11 F12 I33 L110 L111 A114 F123 L131 I139 | D4-W8 PolarHBondContact O-N 3.41Å; L6-W8 VanDerWaalsContact C-N 3.27Å; L6-W8 PolarHBondContact O-N 3.14Å; W8-Q10 VanDerWaalsContact C-N 3.28Å; W8-Q10 PolarHBondContact O-N 2.84Å; W8-L11 WeakPolarHBondContact O-CB 3.34Å; W8-L11 PolarHBondContact O-N 3.14Å; W8-F12 HydrophobicContact CD2-CE2 4.5Å; W8-F12 AromaticContact CE2-CE2 3.84Å; W8-F12 HydrophobicContact CZ2-CE2 4.12Å; W8-F12 AromaticContact NE1-CE2 3.67Å; W8-F12 WeakPolarHBondContact O-CD2 3.25Å; W8-F12 WeakPolarHBondContact O-CE2 3.17Å; W8-I33 HydrophobicContact CH2-CG2 4.26Å; W8-L110 HydrophobicContact CH2-CB 4.44Å; W8-L110 HydrophobicContact CH2-CD2 4.35Å; W8-L110 HydrophobicContact CH2-CG 4.05Å; W8-L110 HydrophobicContact CZ3-CB 4.36Å; W8-L110 HydrophobicContact CZ3-CD2 4.22Å; W8-L110 HydrophobicContact CZ3-CG 4.24Å; W8-L111 HydrophobicContact CD2-CB 4.36Å; W8-L111 HydrophobicContact CD2-CD1 3.87Å; W8-L111 HydrophobicContact CE3-CB 4.11Å; W8-L111 HydrophobicContact CE3-CD1 4.47Å; W8-L111 HydrophobicContact CG-CD1 4.14Å; W8-L111 HydrophobicContact CH2-CB 4.13Å; W8-L111 HydrophobicContact CZ2-CB 4.37Å; W8-L111 HydrophobicContact CZ2-CD1 4.07Å; W8-L111 HydrophobicContact CZ3-CB 3.99Å; W8-A114 HydrophobicContact CH2-CB 4.14Å; W8-A114 HydrophobicContact CZ2-CB 3.67Å; W8-F123 HydrophobicContact CZ2-CD1 4.43Å; W8-L131 HydrophobicContact CB-CD1 4.44Å; W8-I139 HydrophobicContact CB-CD1 3.97Å |
| 9 | A | 80 | Confident | 69.2 | Low | 0 Ų | 0 | 65.4 Ų | 65.4 | 0% | 0 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -64.2 | -32.6 | 178 | 0 | 0 | 0 | 0 | 0 | 112.7 | L5 L6 L11 F12 I33 L107 | L5-A9 PolarHBondContact O-N 2.91Å; L5-A9 VanDerWaalsContact O-N 3.14Å; L6-A9 PolarHBondContact O-N 2.69Å; A9-L11 PolarHBondContact O-N 3.32Å; A9-F12 PolarHBondContact O-N 2.64Å; A9-I33 HydrophobicContact CB-CD1 4.44Å; A9-L107 HydrophobicContact CB-CD2 3.99Å |
| 10 | Q | 77.6 | Confident | 68.8 | Low | 58 Ų | 58 | 67.1 Ų | 67.1 | 27% | 0.271 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -58.7 | -29.9 | 175.9 | -78.6 | 172.6 | -19.2 | 0 | 0 | 113.5 | L6 L7 W8 F12 N13 I19 | L6-Q10 WeakPolarHBondContact O-CG 3.13Å; L6-Q10 PolarHBondContact O-N 2.8Å; L7-Q10 PolarHBondContact O-N 3.07Å; W8-Q10 VanDerWaalsContact C-N 3.28Å; W8-Q10 PolarHBondContact O-N 2.84Å; Q10-F12 PolarHBondContact O-N 2.67Å; Q10-F12 VanDerWaalsContact O-N 3.11Å; Q10-N13 PolarHBondContact O-N 3.16Å; Q10-I19 HydrophobicContact CB-CD1 4.27Å; Q10-I19 HydrophobicContact CG-CB 4.24Å; Q10-I19 HydrophobicContact CG-CD1 3.58Å; Q10-I19 HydrophobicContact CG-CG1 3.89Å |
| 11 | L | 78.1 | Confident | 68.5 | Low | 51 Ų | 51 | 68.3 Ų | 68.3 | 27% | 0.267 | 36% | 0.363 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -60.7 | -21.4 | 178.7 | -62.5 | -176.6 | 0 | 0 | 0 | 114.4 | W8 A9 Q126 N130 L131 | W8-L11 WeakPolarHBondContact O-CB 3.34Å; W8-L11 PolarHBondContact O-N 3.14Å; A9-L11 PolarHBondContact O-N 3.32Å; L11-Q126 HydrophobicContact CD1-CB 4.2Å; L11-N130 HydrophobicContact CD1-CB 4.49Å; L11-N130 HydrophobicContact CD2-CB 3.71Å; L11-L131 HydrophobicContact CD1-CD1 3.88Å; L11-L131 HydrophobicContact CD1-CG 3.98Å; L11-L131 HydrophobicContact CD2-CD2 4.37Å; L11-L131 HydrophobicContact CD2-CG 4.41Å; L11-L131 HydrophobicContact CG-CG 4.45Å |
| 12 | F | 76.3 | Confident | 69.1 | Low | 17 Ų | 17 | 71.5 Ų | 71.5 | 8% | 0.075 | 38% | 0.377 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.8 | -0.8 | -173.3 | -55.6 | -75.6 | 0 | 0 | 0 | 113.5 | W8 A9 Q10 Q14 I33 Y122 F123 Q126 | W8-F12 HydrophobicContact CD2-CE2 4.5Å; W8-F12 AromaticContact CE2-CE2 3.84Å; W8-F12 HydrophobicContact CZ2-CE2 4.12Å; W8-F12 AromaticContact NE1-CE2 3.67Å; W8-F12 WeakPolarHBondContact O-CD2 3.25Å; W8-F12 WeakPolarHBondContact O-CE2 3.17Å; A9-F12 PolarHBondContact O-N 2.64Å; Q10-F12 PolarHBondContact O-N 2.67Å; Q10-F12 VanDerWaalsContact O-N 3.11Å; F12-Q14 PolarHBondContact O-N 2.99Å; F12-I33 HydrophobicContact CB-CD1 4.01Å; F12-I33 HydrophobicContact CB-CG1 3.75Å; F12-I33 HydrophobicContact CG-CG1 4.41Å; F12-Y122 AromaticContact CE1-CE1 3.88Å; F12-Y122 HydrophobicContact CE1-CE1 3.88Å; F12-F123 AromaticContact CE1-CD1 3.91Å; F12-F123 HydrophobicContact CE1-CD1 3.91Å; F12-F123 AromaticContact CE1-CE1 3.91Å; F12-F123 HydrophobicContact CE1-CE1 3.91Å; F12-F123 HydrophobicContact CE2-CD1 4.27Å; F12-F123 HydrophobicContact CE2-CE1 4.49Å; F12-F123 AromaticContact CZ-CD1 3.55Å; F12-F123 HydrophobicContact CZ-CD1 3.55Å; F12-F123 AromaticContact CZ-CE1 3.91Å; F12-F123 HydrophobicContact CZ-CE1 3.91Å; F12-Q126 HydrophobicContact CE1-CB 4.5Å; F12-Q126 HydrophobicContact CE1-CG 4.19Å; F12-Q126 HydrophobicContact CZ-CB 4.17Å; F12-Q126 HydrophobicContact CZ-CG 4.35Å |
| 13 | N | 73.1 | Confident | 69.6 | Low | 25 Ų | 25 | 64.3 Ų | 64.3 | 13% | 0.134 | 35% | 0.347 | C | S | . | . | trans | -77.7 | 115.7 | 172.2 | 175.4 | 28.7 | 0 | 0 | 0 | 110.5 | Q10 S15 S16 I19 L29 | Q10-N13 PolarHBondContact O-N 3.16Å; N13-S15 PolarHBondContact ND2-O 2.77Å; N13-S15 PolarHBondContact O-N 3.29Å; N13-S15 PolarHBondContact OD1-N 3.32Å; N13-S15 PolarHBondContact OD1-OG 2.63Å; N13-S16 PolarHBondContact ND2-O 2.66Å; N13-I19 HydrophobicContact CB-CD1 3.9Å; N13-I19 HydrophobicContact CB-CG1 4.13Å; N13-L29 HydrophobicContact CB-CD1 4.22Å; N13-L29 HydrophobicContact CB-CD2 4.48Å | ||
| 14 | Q | 64 | Low | 69.8 | Low | 188 Ų | 188 | 63.6 Ų | 63.6 | 88% | 0.879 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -73.8 | -12.3 | 176.6 | -58.9 | -177.1 | 18.5 | 0 | 0 | 113.1 | F12 | F12-Q14 PolarHBondContact O-N 2.99Š|
| 15 | S | 55.3 | Low | 69.4 | Low | 69 Ų | 69 | 61.3 Ų | 61.3 | 48% | 0.483 | 33% | 0.329 | S | S | . | . | S | Bend | trans | -115 | 82.3 | -170.6 | 30.1 | 0 | 0 | 0 | 0 | 113 | N13 | N13-S15 PolarHBondContact ND2-O 2.77Å; N13-S15 PolarHBondContact O-N 3.29Å; N13-S15 PolarHBondContact OD1-N 3.32Å; N13-S15 PolarHBondContact OD1-OG 2.63Å |
| 16 | S | 50.8 | Low | 69.4 | Low | 87 Ų | 87 | 63 Ų | 63 | 61% | 0.608 | 34% | 0.338 | S | S | * | . | trans | 69.5 | 154.8 | 172.6 | 76.8 | 0 | 0 | 0 | 0 | 117.5 | N13 D18 | N13-S16 PolarHBondContact ND2-O 2.66Å; S16-D18 PolarHBondContact O-N 3.2Å | ||
| 17 | N | 59 | Low | 69.4 | Low | 153 Ų | 153 | 62 Ų | 62 | 82% | 0.818 | 33% | 0.333 | S | S | * | . | S | Bend | trans | -71.7 | -25.2 | -168.7 | -65.5 | 8.2 | 0 | 0 | 0 | 114.2 | ||
| 18 | D | 59.9 | Low | 69.5 | Low | 136 Ų | 136 | 61.1 Ų | 61.1 | 73% | 0.727 | 33% | 0.328 | S | S | * | . | S | Bend | trans | -102.2 | 100.9 | -179 | -67.3 | -54.8 | 0 | 0 | 0 | 109.8 | S16 L20 | S16-D18 PolarHBondContact O-N 3.2Å; D18-L20 PolarHBondContact O-N 3.38Å |
| 19 | I | 61.2 | Low | 69.3 | Low | 21 Ų | 21 | 62.1 Ų | 62.1 | 11% | 0.108 | 33% | 0.334 | C | S | . | . | trans | -68.6 | 123.3 | 170.5 | -73 | -177.2 | 0 | 0 | 0 | 109.7 | Q10 N13 Q23 L24 L29 | Q10-I19 HydrophobicContact CB-CD1 4.27Å; Q10-I19 HydrophobicContact CG-CB 4.24Å; Q10-I19 HydrophobicContact CG-CD1 3.58Å; Q10-I19 HydrophobicContact CG-CG1 3.89Å; N13-I19 HydrophobicContact CB-CD1 3.9Å; N13-I19 HydrophobicContact CB-CG1 4.13Å; I19-Q23 HydrophobicContact CG2-CB 4.32Å; I19-L24 HydrophobicContact CG2-CD1 3.61Å; I19-L24 HydrophobicContact CG2-CG 4.35Å; I19-L29 HydrophobicContact CD1-CD2 3.56Å | ||
| 20 | L | 61.4 | Low | 69.6 | Low | 99 Ų | 99 | 62.1 Ų | 62.1 | 52% | 0.518 | 33% | 0.334 | S | S | . | . | trans | -73.3 | 137.5 | 166.1 | -71.3 | 167.9 | 0 | 0 | 0 | 109.5 | D18 E22 Q23 | D18-L20 PolarHBondContact O-N 3.38Å; L20-E22 PolarHBondContact O-N 3.4Å; L20-Q23 HydrophobicContact CB-CG 4.44Å; L20-Q23 WeakPolarHBondContact O-CB 3.35Å; L20-Q23 PolarHBondContact O-N 3.09Å | ||
| 21 | P | 61.7 | Low | 69.9 | Low | 92 Ų | 92 | 59.6 Ų | 59.6 | 60% | 0.597 | 32% | 0.322 | S | S | * | . | H | α-helix | trans | -52 | -35.4 | -180 | -28.1 | 35.3 | 0 | 0 | 0 | 113.6 | Q23 L24 T25 | P21-Q23 VanDerWaalsContact C-N 3.25Å; P21-Q23 PolarHBondContact O-N 3.2Å; P21-L24 PolarHBondContact O-N 3.01Å; P21-T25 WeakPolarHBondContact O-CG2 3.42Å; P21-T25 PolarHBondContact O-N 2.76Å; P21-T25 VanDerWaalsContact O-N 3.16Å |
| 22 | E | 64.2 | Low | 70.1 | Confident | 126 Ų | 126 | 60.1 Ų | 60.1 | 59% | 0.589 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -47.3 | -45.2 | 175 | -62.1 | 169.1 | 158.1 | 0 | 0 | 112.3 | L20 L24 T25 D26 | L20-E22 PolarHBondContact O-N 3.4Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 2.76Å; E22-T25 WeakPolarHBondContact CA-OG1 3.28Å; E22-T25 PolarHBondContact O-N 3.26Å; E22-T25 PolarHBondContact O-OG1 2.68Å; E22-D26 PolarHBondContact O-N 3.45Å |
| 23 | Q | 67.8 | Low | 70.5 | Confident | 61 Ų | 61 | 59.4 Ų | 59.4 | 29% | 0.285 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -65 | -27.1 | -177.7 | -64.1 | 177.5 | -34.5 | 0 | 0 | 113.9 | I19 L20 P21 | I19-Q23 HydrophobicContact CG2-CB 4.32Å; L20-Q23 HydrophobicContact CB-CG 4.44Å; L20-Q23 WeakPolarHBondContact O-CB 3.35Å; L20-Q23 PolarHBondContact O-N 3.09Å; P21-Q23 VanDerWaalsContact C-N 3.25Å; P21-Q23 PolarHBondContact O-N 3.2Å |
| 24 | L | 72.5 | Confident | 71.1 | Confident | 7 Ų | 7 | 58.2 Ų | 58.2 | 4% | 0.037 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -78.2 | -42.2 | 170.1 | -75.9 | 131.4 | 0 | 0 | 0 | 110.7 | L6 I19 P21 E22 D26 G27 L30 W61 L103 L107 | L6-L24 HydrophobicContact CD1-CD1 3.54Å; L6-L24 HydrophobicContact CD1-CD2 4.44Å; I19-L24 HydrophobicContact CG2-CD1 3.61Å; I19-L24 HydrophobicContact CG2-CG 4.35Å; P21-L24 PolarHBondContact O-N 3.01Å; E22-L24 VanDerWaalsContact C-N 3.29Å; E22-L24 PolarHBondContact O-N 2.76Å; L24-D26 PolarHBondContact O-N 3.22Å; L24-G27 PolarHBondContact O-N 3.48Å; L24-L30 HydrophobicContact CD2-CD1 4.49Å; L24-L30 HydrophobicContact CD2-CD2 4.08Å; L24-W61 VanDerWaalsContact O-CZ2 3.27Å; L24-W61 WeakPolarHBondContact O-CZ2 3.45Å; L24-L103 HydrophobicContact CB-CD1 4.43Å; L24-L103 HydrophobicContact CB-CD2 4.11Å; L24-L103 HydrophobicContact CD2-CD1 4.13Å; L24-L103 HydrophobicContact CD2-CD2 4.38Å; L24-L107 HydrophobicContact CD2-CD1 4.47Å; L24-L107 HydrophobicContact CD2-CD2 4.21Å |
| 25 | T | 72.5 | Confident | 71.9 | Confident | 8 Ų | 8 | 49.9 Ų | 49.9 | 5% | 0.049 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -66.4 | -23.7 | -175.2 | 70.2 | 0 | 0 | 0 | 0 | 113.2 | P21 E22 G27 W61 P94 | P21-T25 WeakPolarHBondContact O-CG2 3.42Å; P21-T25 PolarHBondContact O-N 2.76Å; P21-T25 VanDerWaalsContact O-N 3.16Å; E22-T25 WeakPolarHBondContact CA-OG1 3.28Å; E22-T25 PolarHBondContact O-N 3.26Å; E22-T25 PolarHBondContact O-OG1 2.68Å; T25-G27 VanDerWaalsContact C-N 3.31Å; T25-W61 PolarHBondContact O-NE1 3.15Å; T25-P94 HydrophobicContact CG2-CB 3.36Å |
| 26 | D | 78.9 | Confident | 73.2 | Confident | 40 Ų | 40 | 48.6 Ų | 48.6 | 21% | 0.214 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -11.4 | 175.8 | -72.5 | -3.4 | 0 | 0 | 0 | 113.9 | E22 L24 L28 V51 R57 N60 | E22-D26 PolarHBondContact O-N 3.45Å; L24-D26 PolarHBondContact O-N 3.22Å; D26-L28 PolarHBondContact O-N 3.24Å; D26-V51 HydrophobicContact CB-CG1 4.46Å; D26-V51 HydrophobicContact CB-CG2 4.12Å; D26-R57 WeakPolarHBondContact OD1-CD 3.34Å; D26-R57 IonicContact OD1-NH1 3.3Å; D26-N60 WeakPolarHBondContact O-CB 3.18Å; D26-N60 PolarHBondContact O-ND2 3.42Å |
| 27 | G | 79.6 | Confident | 74.8 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 24% | 0.244 | C | C | . | . | S | Bend | trans | 70.9 | -10.1 | 177.5 | 0 | 0 | 0 | 0 | 0 | 115.7 | L24 T25 L30 N31 | L24-G27 PolarHBondContact O-N 3.48Å; T25-G27 VanDerWaalsContact C-N 3.31Å; G27-L30 PolarHBondContact O-N 2.87Å; G27-N31 PolarHBondContact O-N 3.4Å; G27-N31 PolarHBondContact O-ND2 2.81Å |
| 28 | L | 81.2 | Confident | 75.9 | Confident | 45 Ų | 45 | 38.4 Ų | 38.4 | 24% | 0.236 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -59.3 | -55.9 | -177.3 | -76.8 | 167.3 | 0 | 0 | 0 | 112 | D26 L30 N31 T32 L47 V51 | D26-L28 PolarHBondContact O-N 3.24Å; L28-L30 VanDerWaalsContact C-N 3.25Å; L28-L30 PolarHBondContact O-N 2.94Å; L28-N31 PolarHBondContact O-N 3.47Å; L28-N31 VanDerWaalsContact O-N 3.16Å; L28-T32 PolarHBondContact O-N 2.75Å; L28-T32 PolarHBondContact O-OG1 2.8Å; L28-T32 VanDerWaalsContact O-OG1 3.11Å; L28-L47 HydrophobicContact CD2-CB 4.02Å; L28-L47 HydrophobicContact CD2-CD1 4.14Å; L28-V51 HydrophobicContact CD1-CG2 4.15Å |
| 29 | L | 80.8 | Confident | 76.7 | Confident | 22 Ų | 22 | 38.4 Ų | 38.4 | 12% | 0.115 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -55 | -40 | -179.1 | 176.7 | 64 | 0 | 0 | 0 | 112.6 | N13 I19 T32 I33 | N13-L29 HydrophobicContact CB-CD1 4.22Å; N13-L29 HydrophobicContact CB-CD2 4.48Å; I19-L29 HydrophobicContact CD1-CD2 3.56Å; L29-T32 WeakPolarHBondContact O-CB 3.17Å; L29-T32 PolarHBondContact O-N 3.15Å; L29-I33 HydrophobicContact CD1-CD1 4.24Å; L29-I33 HydrophobicContact CD1-CG1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 WeakPolarHBondContact O-CG1 3.27Å; L29-I33 PolarHBondContact O-N 3.47Å |
| 30 | L | 85.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -72.1 | -35.4 | -177.2 | -59.3 | -175.3 | 0 | 0 | 0 | 112.4 | L24 G27 L28 I33 F34 W61 M64 L103 L107 L110 | L24-L30 HydrophobicContact CD2-CD1 4.49Å; L24-L30 HydrophobicContact CD2-CD2 4.08Å; G27-L30 PolarHBondContact O-N 2.87Å; L28-L30 VanDerWaalsContact C-N 3.25Å; L28-L30 PolarHBondContact O-N 2.94Å; L30-I33 HydrophobicContact CD2-CD1 4.37Å; L30-I33 PolarHBondContact O-N 3.23Å; L30-F34 WeakPolarHBondContact O-CB 3.31Å; L30-F34 PolarHBondContact O-N 2.74Å; L30-W61 HydrophobicContact CD1-CH2 3.4Å; L30-W61 HydrophobicContact CD1-CZ2 4.13Å; L30-W61 HydrophobicContact CD1-CZ3 3.93Å; L30-M64 HydrophobicContact CB-CG 4.15Å; L30-L103 HydrophobicContact CD1-CD1 4.13Å; L30-L107 HydrophobicContact CD1-CD2 4.47Å; L30-L107 HydrophobicContact CD2-CD2 3.66Å; L30-L110 HydrophobicContact CB-CD2 4.42Å; L30-L110 HydrophobicContact CD2-CD2 3.97Å |
| 31 | N | 83.7 | Confident | 77.7 | Confident | 4 Ų | 4 | 42.5 Ų | 42.5 | 2% | 0.021 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -68.4 | -37.5 | 170.2 | -74 | -81.6 | 0 | 0 | 0 | 111.7 | G27 L28 F34 G35 L47 N60 M64 | G27-N31 PolarHBondContact O-N 3.4Å; G27-N31 PolarHBondContact O-ND2 2.81Å; L28-N31 PolarHBondContact O-N 3.47Å; L28-N31 VanDerWaalsContact O-N 3.16Å; N31-F34 WeakPolarHBondContact O-CB 3.24Å; N31-F34 PolarHBondContact O-N 3.39Å; N31-F34 VanDerWaalsContact O-N 3.13Å; N31-G35 PolarHBondContact O-N 3.41Å; N31-L47 HydrophobicContact CB-CD1 3.47Å; N31-L47 VanDerWaalsContact CB-CD1 3.47Å; N31-L47 HydrophobicContact CB-CD2 3.95Å; N31-L47 HydrophobicContact CB-CG 4.31Å; N31-N60 PolarHBondContact ND2-O 3.41Å; N31-M64 HydrophobicContact CB-CG 4.47Å; N31-M64 VanDerWaalsContact OD1-CA 3.24Å; N31-M64 WeakPolarHBondContact OD1-CA 3.35Å; N31-M64 WeakPolarHBondContact OD1-CB 3.32Å; N31-M64 WeakPolarHBondContact OD1-CG 3.45Å; N31-M64 PolarHBondContact OD1-N 2.81Å |
| 32 | T | 82.3 | Confident | 78 | Confident | 63 Ų | 63 | 43.4 Ų | 43.4 | 39% | 0.387 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.1 | -43.5 | 173.3 | -52.7 | 0 | 0 | 0 | 0 | 111.4 | L28 L29 F34 G35 I36 | L28-T32 PolarHBondContact O-N 2.75Å; L28-T32 PolarHBondContact O-OG1 2.8Å; L28-T32 VanDerWaalsContact O-OG1 3.11Å; L29-T32 WeakPolarHBondContact O-CB 3.17Å; L29-T32 PolarHBondContact O-N 3.15Å; T32-F34 VanDerWaalsContact C-N 3.32Å; T32-F34 PolarHBondContact O-N 3.05Å; T32-G35 PolarHBondContact O-N 2.88Å; T32-I36 WeakPolarHBondContact O-CG1 3.46Å; T32-I36 PolarHBondContact O-N 3.38Å |
| 33 | I | 84.5 | Confident | 77.8 | Confident | 1 Ų | 1 | 39.2 Ų | 39.2 | 1% | 0.005 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -61.8 | -40.9 | 172.7 | -68.3 | 168.7 | 0 | 0 | 0 | 110.5 | W8 A9 F12 L29 L30 G35 I36 I37 L110 | W8-I33 HydrophobicContact CH2-CG2 4.26Å; A9-I33 HydrophobicContact CB-CD1 4.44Å; F12-I33 HydrophobicContact CB-CD1 4.01Å; F12-I33 HydrophobicContact CB-CG1 3.75Å; F12-I33 HydrophobicContact CG-CG1 4.41Å; L29-I33 HydrophobicContact CD1-CD1 4.24Å; L29-I33 HydrophobicContact CD1-CG1 4.44Å; L29-I33 HydrophobicContact CG-CD1 4.07Å; L29-I33 WeakPolarHBondContact O-CG1 3.27Å; L29-I33 PolarHBondContact O-N 3.47Å; L30-I33 HydrophobicContact CD2-CD1 4.37Å; L30-I33 PolarHBondContact O-N 3.23Å; I33-G35 PolarHBondContact O-N 2.73Å; I33-I36 WeakPolarHBondContact O-CB 3.42Å; I33-I36 PolarHBondContact O-N 3.44Å; I33-I37 HydrophobicContact CG2-CD1 4.13Å; I33-I37 WeakPolarHBondContact O-CG1 3.22Å; I33-I37 PolarHBondContact O-N 3.27Å; I33-L110 HydrophobicContact CB-CD2 4.29Å; I33-L110 HydrophobicContact CG2-CD2 3.85Å; I33-L110 HydrophobicContact CG2-CG 4.2Å |
| 34 | F | 85.6 | Confident | 77.6 | Confident | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -60.4 | -41.2 | 177.2 | -156.4 | -79.9 | 0 | 0 | 0 | 112.9 | L30 N31 T32 I36 I37 D38 I41 M64 N67 L68 Y71 L110 | L30-F34 WeakPolarHBondContact O-CB 3.31Å; L30-F34 PolarHBondContact O-N 2.74Å; N31-F34 WeakPolarHBondContact O-CB 3.24Å; N31-F34 PolarHBondContact O-N 3.39Å; N31-F34 VanDerWaalsContact O-N 3.13Å; T32-F34 VanDerWaalsContact C-N 3.32Å; T32-F34 PolarHBondContact O-N 3.05Å; F34-I36 PolarHBondContact O-N 3.16Å; F34-I37 WeakPolarHBondContact O-CA 3.3Å; F34-I37 WeakPolarHBondContact O-CB 3.4Å; F34-I37 PolarHBondContact O-N 3.46Å; F34-D38 HydrophobicContact CE1-CB 4.08Å; F34-D38 PolarHBondContact O-N 3.4Å; F34-I41 HydrophobicContact CD1-CD1 4.05Å; F34-I41 HydrophobicContact CE1-CD1 3.69Å; F34-M64 HydrophobicContact CD2-SD 3.89Å; F34-N67 HydrophobicContact CD1-CB 4.07Å; F34-N67 HydrophobicContact CE1-CB 3.87Å; F34-N67 HydrophobicContact CZ-CB 4.21Å; F34-L68 HydrophobicContact CD2-CB 4.4Å; F34-L68 HydrophobicContact CE2-CB 3.66Å; F34-L68 HydrophobicContact CE2-CD1 4.26Å; F34-L68 HydrophobicContact CE2-CG 4.05Å; F34-L68 HydrophobicContact CZ-CB 4.33Å; F34-Y71 HydrophobicContact CZ-CG 4.11Å; F34-L110 HydrophobicContact CB-CD1 4.37Å; F34-L110 HydrophobicContact CD2-CD1 3.55Å; F34-L110 HydrophobicContact CE2-CD1 4.3Å; F34-L110 HydrophobicContact CG-CD1 4.43Å |
| 35 | G | 82.4 | Confident | 77.3 | Confident | 14 Ų | 14 | 46.6 Ų | 46.6 | 14% | 0.144 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -63.8 | -19 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | N31 T32 I33 | N31-G35 PolarHBondContact O-N 3.41Å; T32-G35 PolarHBondContact O-N 2.88Å; I33-G35 PolarHBondContact O-N 2.73Å |
| 36 | I | 81.5 | Confident | 77.4 | Confident | 42 Ų | 42 | 55.4 Ų | 55.4 | 22% | 0.215 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -84.7 | -22.3 | 171.6 | -54 | 167 | 0 | 0 | 0 | 111.1 | T32 I33 F34 Y122 F123 | T32-I36 WeakPolarHBondContact O-CG1 3.46Å; T32-I36 PolarHBondContact O-N 3.38Å; I33-I36 WeakPolarHBondContact O-CB 3.42Å; I33-I36 PolarHBondContact O-N 3.44Å; F34-I36 PolarHBondContact O-N 3.16Å; I36-Y122 HydrophobicContact CG2-CE1 4.13Å; I36-F123 HydrophobicContact CB-CZ 4.27Å; I36-F123 HydrophobicContact CG2-CE1 4.42Å; I36-F123 HydrophobicContact CG2-CZ 3.79Å |
| 37 | I | 83.9 | Confident | 77.4 | Confident | 10 Ų | 10 | 54.4 Ų | 54.4 | 5% | 0.051 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -83 | -39.5 | 177 | -62.3 | 168.5 | 0 | 0 | 0 | 110.8 | I33 F34 L110 A113 A114 C117 F123 | I33-I37 HydrophobicContact CG2-CD1 4.13Å; I33-I37 WeakPolarHBondContact O-CG1 3.22Å; I33-I37 PolarHBondContact O-N 3.27Å; F34-I37 WeakPolarHBondContact O-CA 3.3Å; F34-I37 WeakPolarHBondContact O-CB 3.4Å; F34-I37 PolarHBondContact O-N 3.46Å; I37-L110 HydrophobicContact CD1-CD1 3.62Å; I37-L110 HydrophobicContact CD1-CG 4.02Å; I37-A113 HydrophobicContact CG2-CB 4.06Å; I37-A114 HydrophobicContact CD1-CB 3.76Å; I37-A114 HydrophobicContact CG1-CB 3.92Å; I37-C117 HydrophobicContact CG2-CB 3.86Å; I37-C117 WeakPolarHBondContact O-CB 3.32Å; I37-F123 HydrophobicContact CG1-CE1 4.23Å; I37-F123 HydrophobicContact CG1-CE2 4.12Å; I37-F123 HydrophobicContact CG1-CZ 3.59Å |
| 38 | D | 83.4 | Confident | 77.3 | Confident | 16 Ų | 16 | 56.1 Ų | 56.1 | 9% | 0.086 | 28% | 0.278 | C | S | . | . | trans | -133.9 | 98 | -179.6 | -168 | -6.3 | 0 | 0 | 0 | 112.5 | F34 R40 I41 Y71 | F34-D38 HydrophobicContact CE1-CB 4.08Å; F34-D38 PolarHBondContact O-N 3.4Å; D38-R40 VanDerWaalsContact CG-NH2 3.25Å; D38-R40 PolarHBondContact O-N 3.34Å; D38-R40 WeakPolarHBondContact OD1-CB 2.88Å; D38-R40 IonicContact OD1-CZ 2.65Å; D38-R40 PolarHBondContact OD1-N 2.81Å; D38-R40 IonicContact OD1-NE 3.15Å; D38-R40 PolarHBondContact OD1-NE 3.38Å; D38-R40 IonicContact OD1-NH2 3Å; D38-R40 PolarHBondContact OD1-NH2 3.41Å; D38-R40 VanDerWaalsContact OD1-NH2 3.16Å; D38-R40 IonicContact OD2-CZ 2.68Å; D38-R40 IonicContact OD2-NE 3.89Å; D38-R40 PolarHBondContact OD2-NE 2.82Å; D38-R40 IonicContact OD2-NH2 2.63Å; D38-R40 PolarHBondContact OD2-NH2 2.7Å; D38-I41 PolarHBondContact O-N 3.16Å; D38-I41 VanDerWaalsContact O-N 3.14Å; D38-Y71 HydrophobicContact CB-CD2 4.13Å; D38-Y71 HydrophobicContact CB-CE2 4.27Å; D38-Y71 WeakPolarHBondContact OD2-CD2 3.38Å | ||
| 39 | E | 75.5 | Confident | 77.1 | Confident | 135 Ų | 135 | 59.3 Ų | 59.3 | 63% | 0.631 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.4 | -4.6 | -177.8 | -61.9 | 179.9 | -176 | 0 | 0 | 114.4 | I41 R119 | E39-I41 PolarHBondContact O-N 3.26Å; E39-R119 WeakPolarHBondContact OE1-CD 3.23Å; E39-R119 IonicContact OE1-CZ 3.92Å; E39-R119 IonicContact OE1-NE 3.71Å; E39-R119 IonicContact OE1-NH1 3.3Å; E39-R119 PolarHBondContact OE1-NH1 3.09Å |
| 40 | R | 74.8 | Confident | 76.9 | Confident | 162 Ų | 162 | 63.4 Ų | 63.4 | 61% | 0.611 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.8 | -12.2 | 172.1 | -67.8 | 170.2 | -68.3 | -176.2 | -3.9 | 113.2 | D38 | D38-R40 VanDerWaalsContact CG-NH2 3.25Å; D38-R40 PolarHBondContact O-N 3.34Å; D38-R40 WeakPolarHBondContact OD1-CB 2.88Å; D38-R40 IonicContact OD1-CZ 2.65Å; D38-R40 PolarHBondContact OD1-N 2.81Å; D38-R40 IonicContact OD1-NE 3.15Å; D38-R40 PolarHBondContact OD1-NE 3.38Å; D38-R40 IonicContact OD1-NH2 3Å; D38-R40 PolarHBondContact OD1-NH2 3.41Å; D38-R40 VanDerWaalsContact OD1-NH2 3.16Å; D38-R40 IonicContact OD2-CZ 2.68Å; D38-R40 IonicContact OD2-NE 3.89Å; D38-R40 PolarHBondContact OD2-NE 2.82Å; D38-R40 IonicContact OD2-NH2 2.63Å; D38-R40 PolarHBondContact OD2-NH2 2.7Å |
| 41 | I | 69 | Low | 76.5 | Confident | 44 Ų | 44 | 65 Ų | 65 | 23% | 0.226 | 33% | 0.326 | C | S | . | . | S | Bend | trans | -111.5 | 110 | -179.1 | -67.1 | 158.3 | 0 | 0 | 0 | 108.4 | F34 D38 E39 P43 N67 | F34-I41 HydrophobicContact CD1-CD1 4.05Å; F34-I41 HydrophobicContact CE1-CD1 3.69Å; D38-I41 PolarHBondContact O-N 3.16Å; D38-I41 VanDerWaalsContact O-N 3.14Å; E39-I41 PolarHBondContact O-N 3.26Å; I41-P43 VanDerWaalsContact O-CD 3.32Å; I41-P43 WeakPolarHBondContact O-CD 3.41Å; I41-N67 HydrophobicContact CD1-CB 4.01Å |
| 42 | D | 67.9 | Low | 76.3 | Confident | 111 Ų | 111 | 70.6 Ų | 70.6 | 59% | 0.594 | 36% | 0.36 | S | S | * | . | trans | -69.4 | 116.4 | 162.8 | -167.5 | -33.3 | 0 | 0 | 0 | 108.1 | D44 D45 | D42-D44 PolarHBondContact O-N 3.18Å; D42-D44 WeakPolarHBondContact OD1-CB 3.41Å; D42-D44 PolarHBondContact OD1-N 2.84Å; D42-D45 HydrophobicContact CB-CB 4.45Å | ||
| 43 | P | 60.3 | Low | 76.1 | Confident | 39 Ų | 39 | 70.2 Ų | 70.2 | 25% | 0.253 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -22 | 179.2 | 30 | -35.3 | 0 | 0 | 0 | 112.1 | I41 L47 | I41-P43 VanDerWaalsContact O-CD 3.32Å; I41-P43 WeakPolarHBondContact O-CD 3.41Å; P43-L47 HydrophobicContact CB-CD1 4.39Å; P43-L47 WeakPolarHBondContact O-CD1 3.07Å; P43-L47 WeakPolarHBondContact O-CG 3.46Å |
| 44 | D | 64.4 | Low | 75.9 | Confident | 97 Ų | 97 | 73 Ų | 73 | 52% | 0.519 | 38% | 0.377 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.4 | -11.8 | -162.4 | -140.6 | 30.4 | 0 | 0 | 0 | 113.4 | D42 K49 | D42-D44 PolarHBondContact O-N 3.18Å; D42-D44 WeakPolarHBondContact OD1-CB 3.41Å; D42-D44 PolarHBondContact OD1-N 2.84Å; D44-K49 WeakPolarHBondContact O-CE 3.24Å; D44-K49 PolarHBondContact O-NZ 2.84Å; D44-K49 WeakPolarHBondContact OD1-CE 3.16Å; D44-K49 IonicContact OD1-NZ 2.82Å; D44-K49 PolarHBondContact OD1-NZ 3.4Å; D44-K49 IonicContact OD2-NZ 2.66Å; D44-K49 PolarHBondContact OD2-NZ 2.86Å |
| 45 | D | 66.2 | Low | 75.7 | Confident | 125 Ų | 125 | 81 Ų | 81 | 67% | 0.668 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.4 | -16.4 | -170.9 | -165.8 | 57 | 0 | 0 | 0 | 114.5 | D42 | D42-D45 HydrophobicContact CB-CB 4.45Š|
| 46 | R | 73.4 | Confident | 75.7 | Confident | 193 Ų | 193 | 81.6 Ų | 81.6 | 73% | 0.728 | 41% | 0.411 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -134.2 | -5.8 | -176.3 | -65.5 | -171.7 | 179.5 | -169.8 | -1.4 | 116.5 | I63 | R46-I63 HydrophobicContact CB-CD1 4.17Å; R46-I63 WeakPolarHBondContact O-CD1 3.3Å |
| 47 | L | 78.6 | Confident | 75.9 | Confident | 20 Ų | 20 | 81.7 Ų | 81.7 | 11% | 0.105 | 41% | 0.409 | C | S | . | . | S | Bend | trans | -84.5 | 144.3 | -177.8 | -63.5 | 174.4 | 0 | 0 | 0 | 112.6 | L28 N31 P43 K49 N60 I63 | L28-L47 HydrophobicContact CD2-CB 4.02Å; L28-L47 HydrophobicContact CD2-CD1 4.14Å; N31-L47 HydrophobicContact CB-CD1 3.47Å; N31-L47 VanDerWaalsContact CB-CD1 3.47Å; N31-L47 HydrophobicContact CB-CD2 3.95Å; N31-L47 HydrophobicContact CB-CG 4.31Å; P43-L47 HydrophobicContact CB-CD1 4.39Å; P43-L47 WeakPolarHBondContact O-CD1 3.07Å; P43-L47 WeakPolarHBondContact O-CG 3.46Å; L47-K49 PolarHBondContact O-N 3.49Å; L47-K49 VanDerWaalsContact O-N 3.13Å; L47-N60 HydrophobicContact CD2-CB 4.3Å; L47-I63 HydrophobicContact CD2-CB 4.27Å; L47-I63 HydrophobicContact CD2-CD1 3.96Å; L47-I63 HydrophobicContact CD2-CG2 4.08Å |
| 48 | C | 78.5 | Confident | 76 | Confident | 35 Ų | 35 | 84 Ų | 84 | 24% | 0.236 | 42% | 0.421 | C | S | . | . | trans | -77.4 | 96.9 | 167.5 | -168.3 | 0 | 0 | 0 | 0 | 109.2 | T50 V51 D56 N60 | C48-T50 VanDerWaalsContact C-N 3.32Å; C48-T50 PolarHBondContact O-N 3.45Å; C48-T50 PolarHBondContact SG-O 3.47Å; C48-V51 WeakPolarHBondContact O-CG2 3.42Å; C48-D56 HydrophobicContact CB-CB 4.19Å; C48-N60 PolarHBondContact N-OD1 3.5Å; C48-N60 PolarHBondContact O-ND2 3.41Å | ||
| 49 | K | 77.4 | Confident | 76 | Confident | 112 Ų | 112 | 88 Ų | 88 | 49% | 0.487 | 44% | 0.44 | S | S | . | . | S | Bend | trans | -69.1 | -28.3 | -177.8 | -51.5 | -173.2 | -168 | -177.1 | 0 | 113 | D44 L47 | D44-K49 WeakPolarHBondContact O-CE 3.24Å; D44-K49 PolarHBondContact O-NZ 2.84Å; D44-K49 WeakPolarHBondContact OD1-CE 3.16Å; D44-K49 IonicContact OD1-NZ 2.82Å; D44-K49 PolarHBondContact OD1-NZ 3.4Å; D44-K49 IonicContact OD2-NZ 2.66Å; D44-K49 PolarHBondContact OD2-NZ 2.86Å; L47-K49 PolarHBondContact O-N 3.49Å; L47-K49 VanDerWaalsContact O-N 3.13Å |
| 50 | T | 76.7 | Confident | 76.5 | Confident | 108 Ų | 108 | 81.5 Ų | 81.5 | 66% | 0.663 | 41% | 0.41 | S | S | * | . | S | Bend | trans | -106.5 | 80.7 | 176.3 | 52.9 | 0 | 0 | 0 | 0 | 109.7 | C48 T52 | C48-T50 VanDerWaalsContact C-N 3.32Å; C48-T50 PolarHBondContact O-N 3.45Å; C48-T50 PolarHBondContact SG-O 3.47Å; T50-T52 PolarHBondContact O-N 3.33Å |
| 51 | V | 77.4 | Confident | 77.2 | Confident | 34 Ų | 34 | 73.9 Ų | 73.9 | 21% | 0.206 | 38% | 0.381 | C | S | . | . | trans | -68.9 | 117.4 | 176.4 | 173.9 | 0 | 0 | 0 | 0 | 109.5 | D26 L28 C48 D56 R57 N60 | D26-V51 HydrophobicContact CB-CG1 4.46Å; D26-V51 HydrophobicContact CB-CG2 4.12Å; L28-V51 HydrophobicContact CD1-CG2 4.15Å; C48-V51 WeakPolarHBondContact O-CG2 3.42Å; V51-D56 HydrophobicContact CB-CB 4.45Å; V51-D56 HydrophobicContact CG1-CB 4.24Å; V51-D56 HydrophobicContact CG2-CB 4.39Å; V51-R57 HydrophobicContact CG1-CG 3.35Å; V51-N60 WeakPolarHBondContact CG2-ND2 3.17Å | ||
| 52 | T | 77.9 | Confident | 77.9 | Confident | 121 Ų | 121 | 78 Ų | 78 | 74% | 0.742 | 40% | 0.398 | S | S | * | . | trans | -121 | -23.4 | 179.1 | 63.7 | 0 | 0 | 0 | 0 | 113.1 | T50 D56 | T50-T52 PolarHBondContact O-N 3.33Å; T52-D56 PolarHBondContact N-OD2 2.88Å; T52-D56 PolarHBondContact OG1-OD2 2.71Å | ||
| 53 | C | 79.5 | Confident | 78.7 | Confident | 56 Ų | 56 | 74 Ų | 74 | 38% | 0.378 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -143.9 | 167.9 | -177.6 | 75.3 | 0 | 0 | 0 | 0 | 113.2 | K55 D56 R57 | C53-K55 PolarHBondContact O-N 3.07Å; C53-K55 VanDerWaalsContact O-N 3.14Å; C53-D56 PolarHBondContact N-OD2 3.32Å; C53-D56 WeakPolarHBondContact O-CB 3.14Å; C53-D56 PolarHBondContact O-N 2.8Å; C53-D56 PolarHBondContact SG-OD1 2.84Å; C53-D56 VanDerWaalsContact SG-OD1 3.42Å; C53-D56 PolarHBondContact SG-OD2 2.73Å; C53-R57 PolarHBondContact O-N 3.01Å |
| 54 | V | 80.6 | Confident | 80 | Confident | 60 Ų | 60 | 72.1 Ų | 72.1 | 36% | 0.364 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -54.8 | -32.6 | 179.3 | 173.9 | 0 | 0 | 0 | 0 | 112.7 | D56 R57 L58 K92 | V54-D56 VanDerWaalsContact C-N 3.34Å; V54-R57 PolarHBondContact O-N 2.9Å; V54-L58 WeakPolarHBondContact O-CB 3.25Å; V54-L58 PolarHBondContact O-N 2.89Å; V54-K92 HydrophobicContact CG1-CG 3.92Å |
| 55 | K | 80.4 | Confident | 81.1 | Confident | 166 Ų | 166 | 69.8 Ų | 69.8 | 72% | 0.722 | 35% | 0.35 | S | S | * | . | H | α-helix | trans | -64.7 | -38.4 | 177.7 | -173.6 | -168.9 | 173.4 | -165.7 | 0 | 111.8 | C53 L58 M59 | C53-K55 PolarHBondContact O-N 3.07Å; C53-K55 VanDerWaalsContact O-N 3.14Å; K55-L58 PolarHBondContact O-N 3.2Å; K55-M59 WeakPolarHBondContact O-CB 3.17Å; K55-M59 PolarHBondContact O-N 3.43Å |
| 56 | D | 83.1 | Confident | 82 | Confident | 28 Ų | 28 | 67.7 Ų | 67.7 | 15% | 0.15 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -67.9 | -46.4 | -179.8 | -49.4 | -28.4 | 0 | 0 | 0 | 109.8 | C48 V51 T52 C53 V54 L58 M59 N60 | C48-D56 HydrophobicContact CB-CB 4.19Å; V51-D56 HydrophobicContact CB-CB 4.45Å; V51-D56 HydrophobicContact CG1-CB 4.24Å; V51-D56 HydrophobicContact CG2-CB 4.39Å; T52-D56 PolarHBondContact N-OD2 2.88Å; T52-D56 PolarHBondContact OG1-OD2 2.71Å; C53-D56 PolarHBondContact N-OD2 3.32Å; C53-D56 WeakPolarHBondContact O-CB 3.14Å; C53-D56 PolarHBondContact O-N 2.8Å; C53-D56 PolarHBondContact SG-OD1 2.84Å; C53-D56 VanDerWaalsContact SG-OD1 3.42Å; C53-D56 PolarHBondContact SG-OD2 2.73Å; V54-D56 VanDerWaalsContact C-N 3.34Å; D56-L58 PolarHBondContact O-N 3.49Å; D56-M59 PolarHBondContact O-N 3.49Å; D56-N60 PolarHBondContact O-N 3.47Å |
| 57 | R | 86.3 | Confident | 82.5 | Confident | 43 Ų | 43 | 60 Ų | 60 | 16% | 0.162 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -56.4 | -51.6 | 172.5 | -59.4 | -157.8 | -65.4 | -155.1 | 0.8 | 111.2 | D26 V51 C53 V54 M59 N60 W61 S91 | D26-R57 WeakPolarHBondContact OD1-CD 3.34Å; D26-R57 IonicContact OD1-NH1 3.3Å; V51-R57 HydrophobicContact CG1-CG 3.35Å; C53-R57 PolarHBondContact O-N 3.01Å; V54-R57 PolarHBondContact O-N 2.9Å; R57-M59 PolarHBondContact O-N 3.28Å; R57-N60 PolarHBondContact O-N 3.43Å; R57-W61 WeakPolarHBondContact O-CB 3.49Å; R57-W61 PolarHBondContact O-N 3.4Å; R57-S91 PolarHBondContact NE-O 2.88Å; R57-S91 VanDerWaalsContact NE-O 3.11Å; R57-S91 PolarHBondContact NH2-O 3.4Å |
| 58 | L | 84.4 | Confident | 82.9 | Confident | 58 Ų | 58 | 59.4 Ų | 59.4 | 30% | 0.304 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -61.3 | -33 | -179 | -175.1 | 61.7 | 0 | 0 | 0 | 112.4 | V54 K55 D56 K62 I87 V88 | V54-L58 WeakPolarHBondContact O-CB 3.25Å; V54-L58 PolarHBondContact O-N 2.89Å; K55-L58 PolarHBondContact O-N 3.2Å; D56-L58 PolarHBondContact O-N 3.49Å; L58-K62 VanDerWaalsContact O-CB 3.24Å; L58-K62 WeakPolarHBondContact O-CB 3.32Å; L58-K62 PolarHBondContact O-N 3.45Å; L58-I87 HydrophobicContact CD1-CB 4.45Å; L58-I87 HydrophobicContact CD1-CD1 3.91Å; L58-I87 HydrophobicContact CD1-CG1 3.9Å; L58-V88 HydrophobicContact CD1-CG2 4.03Å |
| 59 | M | 83.4 | Confident | 83.2 | Confident | 100 Ų | 100 | 65.1 Ų | 65.1 | 49% | 0.493 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -67.6 | -49.4 | 174.1 | -171.4 | 64.5 | 179.2 | 0 | 0 | 111.8 | K55 D56 R57 W61 K62 I63 | K55-M59 WeakPolarHBondContact O-CB 3.17Å; K55-M59 PolarHBondContact O-N 3.43Å; D56-M59 PolarHBondContact O-N 3.49Å; R57-M59 PolarHBondContact O-N 3.28Å; M59-W61 VanDerWaalsContact C-N 3.3Å; M59-W61 PolarHBondContact O-N 2.91Å; M59-K62 PolarHBondContact O-N 2.75Å; M59-I63 HydrophobicContact CE-CD1 4.22Å; M59-I63 HydrophobicContact CG-CD1 4.24Å; M59-I63 WeakPolarHBondContact O-CG1 3.34Å; M59-I63 PolarHBondContact O-N 2.84Å |
| 60 | N | 86.4 | Confident | 83.6 | Confident | 0 Ų | 0 | 62.3 Ų | 62.3 | 0% | 0 | 31% | 0.314 | C | S | . | . | H | α-helix | trans | -59.2 | -41 | 176.8 | -69.4 | -10 | 0 | 0 | 0 | 111.7 | D26 N31 L47 C48 V51 D56 R57 M64 | D26-N60 WeakPolarHBondContact O-CB 3.18Å; D26-N60 PolarHBondContact O-ND2 3.42Å; N31-N60 PolarHBondContact ND2-O 3.41Å; L47-N60 HydrophobicContact CD2-CB 4.3Å; C48-N60 PolarHBondContact N-OD1 3.5Å; C48-N60 PolarHBondContact O-ND2 3.41Å; V51-N60 WeakPolarHBondContact CG2-ND2 3.17Å; D56-N60 PolarHBondContact O-N 3.47Å; R57-N60 PolarHBondContact O-N 3.43Å; N60-M64 PolarHBondContact O-N 2.89Å; N60-M64 VanDerWaalsContact O-N 3.13Å |
| 61 | W | 89.6 | Confident | 84.1 | Confident | 1 Ų | 1 | 57.5 Ų | 57.5 | 0% | 0.004 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -65.3 | -42.7 | 174.2 | -85.6 | 108.5 | 0 | 0 | 0 | 113.4 | L24 T25 L30 R57 M59 I63 M64 I65 I87 V90 L103 V106 | L24-W61 VanDerWaalsContact O-CZ2 3.27Å; L24-W61 WeakPolarHBondContact O-CZ2 3.45Å; T25-W61 PolarHBondContact O-NE1 3.15Å; L30-W61 HydrophobicContact CD1-CH2 3.4Å; L30-W61 HydrophobicContact CD1-CZ2 4.13Å; L30-W61 HydrophobicContact CD1-CZ3 3.93Å; R57-W61 WeakPolarHBondContact O-CB 3.49Å; R57-W61 PolarHBondContact O-N 3.4Å; M59-W61 VanDerWaalsContact C-N 3.3Å; M59-W61 PolarHBondContact O-N 2.91Å; W61-I63 VanDerWaalsContact C-N 3.33Å; W61-I63 PolarHBondContact O-N 2.89Å; W61-M64 PolarHBondContact O-N 2.83Å; W61-I65 WeakPolarHBondContact O-CG1 3.41Å; W61-I65 PolarHBondContact O-N 2.81Å; W61-I87 HydrophobicContact CB-CB 3.96Å; W61-I87 HydrophobicContact CB-CD1 4.26Å; W61-I87 HydrophobicContact CB-CG2 4.02Å; W61-I87 HydrophobicContact CD2-CG2 4.23Å; W61-I87 HydrophobicContact CE3-CG2 3.84Å; W61-I87 HydrophobicContact CG-CB 4.36Å; W61-I87 HydrophobicContact CG-CG2 4.33Å; W61-V90 HydrophobicContact CH2-CG1 4.46Å; W61-V90 HydrophobicContact CZ2-CG1 3.67Å; W61-L103 HydrophobicContact CH2-CD1 3.57Å; W61-L103 HydrophobicContact CZ2-CD1 4.03Å; W61-V106 HydrophobicContact CZ3-CB 4.36Å; W61-V106 HydrophobicContact CZ3-CG1 4.02Å; W61-V106 HydrophobicContact CZ3-CG2 4.3Å |
| 62 | K | 83.9 | Confident | 84.5 | Confident | 132 Ų | 132 | 56 Ų | 56 | 57% | 0.574 | 27% | 0.274 | S | S | * | . | H | α-helix | trans | -62.6 | -40.4 | 177.7 | -177.2 | 179.8 | 178.6 | -177.7 | 0 | 111.6 | L58 M59 Q66 I87 | L58-K62 VanDerWaalsContact O-CB 3.24Å; L58-K62 WeakPolarHBondContact O-CB 3.32Å; L58-K62 PolarHBondContact O-N 3.45Å; M59-K62 PolarHBondContact O-N 2.75Å; K62-Q66 VanDerWaalsContact O-CB 3.3Å; K62-Q66 WeakPolarHBondContact O-CB 3.44Å; K62-Q66 PolarHBondContact O-N 2.95Å; K62-I87 HydrophobicContact CB-CD1 4.33Å |
| 63 | I | 84.7 | Confident | 84.8 | Confident | 26 Ų | 26 | 53.8 Ų | 53.8 | 13% | 0.133 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -61.1 | -50 | 174.3 | -67.6 | 163.3 | 0 | 0 | 0 | 109.9 | R46 L47 M59 W61 I65 Q66 N67 | R46-I63 HydrophobicContact CB-CD1 4.17Å; R46-I63 WeakPolarHBondContact O-CD1 3.3Å; L47-I63 HydrophobicContact CD2-CB 4.27Å; L47-I63 HydrophobicContact CD2-CD1 3.96Å; L47-I63 HydrophobicContact CD2-CG2 4.08Å; M59-I63 HydrophobicContact CE-CD1 4.22Å; M59-I63 HydrophobicContact CG-CD1 4.24Å; M59-I63 WeakPolarHBondContact O-CG1 3.34Å; M59-I63 PolarHBondContact O-N 2.84Å; W61-I63 VanDerWaalsContact C-N 3.33Å; W61-I63 PolarHBondContact O-N 2.89Å; I63-I65 PolarHBondContact O-N 3.45Å; I63-Q66 PolarHBondContact O-N 3.3Å; I63-N67 WeakPolarHBondContact O-CB 3.33Å; I63-N67 PolarHBondContact O-N 2.9Å; I63-N67 PolarHBondContact O-OD1 3.43Å |
| 64 | M | 86.5 | Confident | 85 | Confident | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -58.5 | -49.6 | -178.8 | -146.2 | -61.7 | -60 | 0 | 0 | 112.1 | L30 N31 F34 N60 W61 Q66 N67 L68 V106 L110 | L30-M64 HydrophobicContact CB-CG 4.15Å; N31-M64 HydrophobicContact CB-CG 4.47Å; N31-M64 VanDerWaalsContact OD1-CA 3.24Å; N31-M64 WeakPolarHBondContact OD1-CA 3.35Å; N31-M64 WeakPolarHBondContact OD1-CB 3.32Å; N31-M64 WeakPolarHBondContact OD1-CG 3.45Å; N31-M64 PolarHBondContact OD1-N 2.81Å; F34-M64 HydrophobicContact CD2-SD 3.89Å; N60-M64 PolarHBondContact O-N 2.89Å; N60-M64 VanDerWaalsContact O-N 3.13Å; W61-M64 PolarHBondContact O-N 2.83Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; M64-Q66 PolarHBondContact O-N 3.33Å; M64-N67 PolarHBondContact O-N 3.47Å; M64-L68 HydrophobicContact CE-CB 4.5Å; M64-L68 HydrophobicContact CE-CD1 4.13Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 PolarHBondContact O-N 3.36Å; M64-L68 HydrophobicContact SD-CB 4.43Å; M64-L68 HydrophobicContact SD-CD1 4.44Å; M64-V106 HydrophobicContact CE-CG1 3.24Å; M64-L110 HydrophobicContact SD-CD1 4.31Å |
| 65 | I | 87.4 | Confident | 85.2 | Confident | 47 Ų | 47 | 56.4 Ų | 56.4 | 24% | 0.241 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -65.7 | -35.6 | 179.3 | -64.6 | -63.7 | 0 | 0 | 0 | 111.9 | W61 I63 R69 I87 V106 | W61-I65 WeakPolarHBondContact O-CG1 3.41Å; W61-I65 PolarHBondContact O-N 2.81Å; I63-I65 PolarHBondContact O-N 3.45Å; I65-R69 VanDerWaalsContact O-CB 3.24Å; I65-R69 WeakPolarHBondContact O-CB 3.29Å; I65-R69 PolarHBondContact O-N 3.4Å; I65-I87 HydrophobicContact CD1-CG2 4.34Å; I65-I87 HydrophobicContact CG1-CG2 3.71Å; I65-V106 HydrophobicContact CD1-CG1 4.1Å; I65-V106 HydrophobicContact CD1-CG2 3.87Å |
| 66 | Q | 85.6 | Confident | 85.3 | Confident | 81 Ų | 81 | 50.1 Ų | 50.1 | 38% | 0.379 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -68.8 | -43.2 | 176 | -171.9 | 64.5 | 62 | 0 | 0 | 111.7 | K62 I63 M64 R69 N70 | K62-Q66 VanDerWaalsContact O-CB 3.3Å; K62-Q66 WeakPolarHBondContact O-CB 3.44Å; K62-Q66 PolarHBondContact O-N 2.95Å; I63-Q66 PolarHBondContact O-N 3.3Å; M64-Q66 VanDerWaalsContact C-N 3.34Å; M64-Q66 PolarHBondContact O-N 3.33Å; Q66-R69 PolarHBondContact O-N 3.49Å; Q66-N70 PolarHBondContact NE2-OD1 3.31Å; Q66-N70 PolarHBondContact O-N 2.8Å; Q66-N70 PolarHBondContact O-OD1 3.47Å; Q66-N70 VanDerWaalsContact O-OD1 3.12Å |
| 67 | N | 84.2 | Confident | 85.3 | Confident | 32 Ų | 32 | 54.4 Ų | 54.4 | 17% | 0.171 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -61 | -46.5 | 175.9 | -69.2 | -8.8 | 0 | 0 | 0 | 110.9 | F34 I41 I63 M64 N70 Y71 | F34-N67 HydrophobicContact CD1-CB 4.07Å; F34-N67 HydrophobicContact CE1-CB 3.87Å; F34-N67 HydrophobicContact CZ-CB 4.21Å; I41-N67 HydrophobicContact CD1-CB 4.01Å; I63-N67 WeakPolarHBondContact O-CB 3.33Å; I63-N67 PolarHBondContact O-N 2.9Å; I63-N67 PolarHBondContact O-OD1 3.43Å; M64-N67 PolarHBondContact O-N 3.47Å; N67-N70 PolarHBondContact O-N 3.09Å; N67-Y71 WeakPolarHBondContact O-CB 3.38Å; N67-Y71 PolarHBondContact O-N 2.85Å |
| 68 | L | 86.2 | Confident | 85.1 | Confident | 8 Ų | 8 | 53.9 Ų | 53.9 | 4% | 0.042 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -63.6 | -43.4 | 176.8 | -169.6 | 148 | 0 | 0 | 0 | 111.8 | F34 M64 N70 Y71 Y72 I80 F109 L110 | F34-L68 HydrophobicContact CD2-CB 4.4Å; F34-L68 HydrophobicContact CE2-CB 3.66Å; F34-L68 HydrophobicContact CE2-CD1 4.26Å; F34-L68 HydrophobicContact CE2-CG 4.05Å; F34-L68 HydrophobicContact CZ-CB 4.33Å; M64-L68 HydrophobicContact CE-CB 4.5Å; M64-L68 HydrophobicContact CE-CD1 4.13Å; M64-L68 WeakPolarHBondContact O-CB 3.35Å; M64-L68 PolarHBondContact O-N 3.36Å; M64-L68 HydrophobicContact SD-CB 4.43Å; M64-L68 HydrophobicContact SD-CD1 4.44Å; L68-N70 PolarHBondContact O-N 3.49Å; L68-Y71 PolarHBondContact O-N 2.82Å; L68-Y72 HydrophobicContact CD2-CD2 3.8Å; L68-Y72 HydrophobicContact CD2-CE2 3.78Å; L68-Y72 HydrophobicContact CG-CD2 4.17Å; L68-Y72 HydrophobicContact CG-CE2 4.03Å; L68-Y72 WeakPolarHBondContact O-CD2 3.35Å; L68-Y72 PolarHBondContact O-N 2.91Å; L68-I80 HydrophobicContact CD2-CD1 3.82Å; L68-F109 HydrophobicContact CD1-CB 3.92Å; L68-F109 HydrophobicContact CD2-CB 4.02Å; L68-L110 HydrophobicContact CD1-CB 4.46Å; L68-L110 HydrophobicContact CD1-CD1 4.45Å |
| 69 | R | 85.3 | Confident | 84.9 | Confident | 154 Ų | 154 | 53.6 Ų | 53.6 | 58% | 0.581 | 26% | 0.257 | S | S | * | . | H | α-helix | trans | -58.5 | -47.4 | 174.4 | 178.3 | -176.8 | 174.8 | -163.7 | -1.3 | 111.8 | I65 Q66 Y71 Y72 L73 | I65-R69 VanDerWaalsContact O-CB 3.24Å; I65-R69 WeakPolarHBondContact O-CB 3.29Å; I65-R69 PolarHBondContact O-N 3.4Å; Q66-R69 PolarHBondContact O-N 3.49Å; R69-Y71 VanDerWaalsContact C-N 3.33Å; R69-Y71 PolarHBondContact O-N 2.82Å; R69-Y72 PolarHBondContact O-N 3.46Å; R69-L73 WeakPolarHBondContact O-CB 3.39Å; R69-L73 PolarHBondContact O-N 2.91Å |
| 70 | N | 86 | Confident | 84.7 | Confident | 54 Ų | 54 | 51.2 Ų | 51.2 | 29% | 0.289 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -63 | -41.3 | 179 | -73.1 | 21.9 | 0 | 0 | 0 | 110.9 | Q66 N67 L68 Y72 L73 E74 | Q66-N70 PolarHBondContact NE2-OD1 3.31Å; Q66-N70 PolarHBondContact O-N 2.8Å; Q66-N70 PolarHBondContact O-OD1 3.47Å; Q66-N70 VanDerWaalsContact O-OD1 3.12Å; N67-N70 PolarHBondContact O-N 3.09Å; L68-N70 PolarHBondContact O-N 3.49Å; N70-Y72 PolarHBondContact O-N 3.19Å; N70-L73 PolarHBondContact O-N 2.88Å; N70-E74 VanDerWaalsContact O-CB 3.29Å; N70-E74 WeakPolarHBondContact O-CB 3.25Å; N70-E74 WeakPolarHBondContact O-CG 3.4Å; N70-E74 PolarHBondContact O-N 3.3Å |
| 71 | Y | 86.6 | Confident | 84.1 | Confident | 7 Ų | 7 | 51.8 Ų | 51.8 | 3% | 0.027 | 25% | 0.249 | C | C | . | . | I | π-helix | trans | -60.2 | -46.6 | 177.4 | -176 | -94.9 | 0 | 0 | 0 | 112.8 | F34 D38 N67 L68 R69 V75 L76 A113 C117 | F34-Y71 HydrophobicContact CZ-CG 4.11Å; D38-Y71 HydrophobicContact CB-CD2 4.13Å; D38-Y71 HydrophobicContact CB-CE2 4.27Å; D38-Y71 WeakPolarHBondContact OD2-CD2 3.38Å; N67-Y71 WeakPolarHBondContact O-CB 3.38Å; N67-Y71 PolarHBondContact O-N 2.85Å; L68-Y71 PolarHBondContact O-N 2.82Å; R69-Y71 VanDerWaalsContact C-N 3.33Å; R69-Y71 PolarHBondContact O-N 2.82Å; Y71-V75 HydrophobicContact CD2-CB 4.03Å; Y71-V75 HydrophobicContact CD2-CG1 4.31Å; Y71-V75 HydrophobicContact CD2-CG2 3.79Å; Y71-V75 HydrophobicContact CE2-CB 4.1Å; Y71-V75 HydrophobicContact CE2-CG1 3.91Å; Y71-V75 HydrophobicContact CE2-CG2 4.25Å; Y71-V75 HydrophobicContact CG-CB 4.47Å; Y71-V75 HydrophobicContact CG-CG2 4.33Å; Y71-V75 WeakPolarHBondContact O-CA 3.25Å; Y71-V75 WeakPolarHBondContact O-CB 3.28Å; Y71-V75 WeakPolarHBondContact O-CG2 3.33Å; Y71-V75 PolarHBondContact O-N 3.37Å; Y71-V75 VanDerWaalsContact O-N 3.11Å; Y71-L76 HydrophobicContact CD1-CD1 3.69Å; Y71-L76 HydrophobicContact CD1-CG 4.06Å; Y71-L76 HydrophobicContact CE1-CD1 3.47Å; Y71-L76 VanDerWaalsContact CE1-CD1 3.47Å; Y71-L76 HydrophobicContact CE1-CD2 4.05Å; Y71-L76 HydrophobicContact CE1-CG 3.68Å; Y71-L76 PolarHBondContact O-N 2.81Å; Y71-A113 HydrophobicContact CD1-CB 3.89Å; Y71-A113 HydrophobicContact CE1-CB 3.68Å; Y71-C117 WeakPolarHBondContact OH-CA 3.27Å; Y71-C117 VanDerWaalsContact OH-CB 3.22Å; Y71-C117 WeakPolarHBondContact OH-CB 3.39Å |
| 72 | Y | 85.8 | Confident | 83.3 | Confident | 2 Ų | 2 | 54 Ų | 54 | 1% | 0.008 | 26% | 0.26 | C | S | . | . | I | π-helix | trans | -64.1 | -43.4 | 175.6 | -83.7 | -106.1 | 0 | 0 | 0 | 112.2 | L68 R69 N70 L76 Q77 E78 I80 F109 C112 A113 R116 I153 | L68-Y72 HydrophobicContact CD2-CD2 3.8Å; L68-Y72 HydrophobicContact CD2-CE2 3.78Å; L68-Y72 HydrophobicContact CG-CD2 4.17Å; L68-Y72 HydrophobicContact CG-CE2 4.03Å; L68-Y72 WeakPolarHBondContact O-CD2 3.35Å; L68-Y72 PolarHBondContact O-N 2.91Å; R69-Y72 PolarHBondContact O-N 3.46Å; N70-Y72 PolarHBondContact O-N 3.19Å; Y72-L76 HydrophobicContact CD1-CD1 3.8Å; Y72-L76 HydrophobicContact CD2-CD1 4.02Å; Y72-L76 HydrophobicContact CE1-CD1 3.99Å; Y72-L76 HydrophobicContact CE2-CD1 4.21Å; Y72-L76 HydrophobicContact CG-CD1 3.83Å; Y72-L76 CarbonylContact O-C 3.53Å; Y72-Q77 PolarHBondContact O-N 2.83Å; Y72-E78 CarbonylContact C-O 3.54Å; Y72-E78 VanDerWaalsContact C-O 3.27Å; Y72-E78 PolarHBondContact O-N 3.42Å; Y72-E78 VanDerWaalsContact O-O 3.07Å; Y72-I80 HydrophobicContact CD1-CD1 3.93Å; Y72-I80 HydrophobicContact CD1-CG1 3.74Å; Y72-I80 HydrophobicContact CD2-CD1 4.02Å; Y72-I80 HydrophobicContact CE1-CD1 4.28Å; Y72-I80 HydrophobicContact CE1-CG1 4.23Å; Y72-I80 HydrophobicContact CE2-CD1 4.37Å; Y72-I80 HydrophobicContact CG-CD1 3.78Å; Y72-I80 HydrophobicContact CG-CG1 4Å; Y72-F109 HydrophobicContact CE1-CD1 4.49Å; Y72-F109 PolarHBondContact OH-O 3.34Å; Y72-C112 VanDerWaalsContact OH-CB 3.28Å; Y72-C112 WeakPolarHBondContact OH-CB 3.41Å; Y72-A113 HydrophobicContact CE2-CB 4.11Å; Y72-R116 VanDerWaalsContact CE1-NH2 3.26Å; Y72-I153 HydrophobicContact CE1-CD1 3.78Å; Y72-I153 HydrophobicContact CE1-CG1 4.46Å |
| 73 | L | 85.3 | Confident | 82.8 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 39% | 0.387 | 24% | 0.244 | S | C | . | . | I | π-helix | trans | -70.7 | -49.9 | -176.7 | -168.7 | 85.9 | 0 | 0 | 0 | 113.6 | R69 N70 F156 | R69-L73 WeakPolarHBondContact O-CB 3.39Å; R69-L73 PolarHBondContact O-N 2.91Å; N70-L73 PolarHBondContact O-N 2.88Å; L73-F156 HydrophobicContact CD1-CZ 4.15Å |
| 74 | E | 84.1 | Confident | 82.2 | Confident | 121 Ų | 121 | 53.7 Ų | 53.7 | 57% | 0.565 | 27% | 0.266 | S | S | * | . | I | π-helix | trans | -92 | -31.1 | -168 | -60.7 | 173.2 | -162.3 | 0 | 0 | 112.5 | N70 | N70-E74 VanDerWaalsContact O-CB 3.29Å; N70-E74 WeakPolarHBondContact O-CB 3.25Å; N70-E74 WeakPolarHBondContact O-CG 3.4Å; N70-E74 PolarHBondContact O-N 3.3Å |
| 75 | V | 83.3 | Confident | 81.9 | Confident | 51 Ų | 51 | 54.9 Ų | 54.9 | 31% | 0.309 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -105.9 | -47.8 | -169.2 | -161.7 | 0 | 0 | 0 | 0 | 110.9 | Y71 | Y71-V75 HydrophobicContact CD2-CB 4.03Å; Y71-V75 HydrophobicContact CD2-CG1 4.31Å; Y71-V75 HydrophobicContact CD2-CG2 3.79Å; Y71-V75 HydrophobicContact CE2-CB 4.1Å; Y71-V75 HydrophobicContact CE2-CG1 3.91Å; Y71-V75 HydrophobicContact CE2-CG2 4.25Å; Y71-V75 HydrophobicContact CG-CB 4.47Å; Y71-V75 HydrophobicContact CG-CG2 4.33Å; Y71-V75 WeakPolarHBondContact O-CA 3.25Å; Y71-V75 WeakPolarHBondContact O-CB 3.28Å; Y71-V75 WeakPolarHBondContact O-CG2 3.33Å; Y71-V75 PolarHBondContact O-N 3.37Å; Y71-V75 VanDerWaalsContact O-N 3.11Å |
| 76 | L | 83.3 | Confident | 81.5 | Confident | 33 Ų | 33 | 55.4 Ų | 55.4 | 17% | 0.173 | 28% | 0.276 | C | S | . | . | S | Bend | trans | -86.6 | -14.6 | 176.9 | -59.4 | 169.5 | 0 | 0 | 0 | 113.2 | Y71 Y72 E78 R116 | Y71-L76 HydrophobicContact CD1-CD1 3.69Å; Y71-L76 HydrophobicContact CD1-CG 4.06Å; Y71-L76 HydrophobicContact CE1-CD1 3.47Å; Y71-L76 VanDerWaalsContact CE1-CD1 3.47Å; Y71-L76 HydrophobicContact CE1-CD2 4.05Å; Y71-L76 HydrophobicContact CE1-CG 3.68Å; Y71-L76 PolarHBondContact O-N 2.81Å; Y72-L76 HydrophobicContact CD1-CD1 3.8Å; Y72-L76 HydrophobicContact CD2-CD1 4.02Å; Y72-L76 HydrophobicContact CE1-CD1 3.99Å; Y72-L76 HydrophobicContact CE2-CD1 4.21Å; Y72-L76 HydrophobicContact CG-CD1 3.83Å; Y72-L76 CarbonylContact O-C 3.53Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 HydrophobicContact CB-CB 4.32Å; L76-E78 PolarHBondContact O-N 3.36Å; L76-R116 HydrophobicContact CD2-CB 4.1Å |
| 77 | Q | 83.5 | Confident | 81.3 | Confident | 119 Ų | 119 | 53 Ų | 53 | 56% | 0.556 | 27% | 0.266 | S | S | * | . | trans | 56.7 | 43.7 | -178.9 | -65.3 | -171.2 | 9.4 | 0 | 0 | 113 | Y72 F156 | Y72-Q77 PolarHBondContact O-N 2.83Å; Q77-F156 HydrophobicContact CB-CD2 3.65Å; Q77-F156 HydrophobicContact CB-CE2 3.94Å; Q77-F156 HydrophobicContact CG-CD2 4.28Å; Q77-F156 HydrophobicContact CG-CE2 4.3Å; Q77-F156 WeakPolarHBondContact O-CD2 3.35Å; Q77-F156 WeakPolarHBondContact O-CG 3.49Å; Q77-F156 PolarHBondContact O-N 3.33Å | ||
| 78 | E | 82.6 | Confident | 81.1 | Confident | 32 Ų | 32 | 54.3 Ų | 54.3 | 15% | 0.15 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 141.3 | -172.4 | -83.9 | 172.8 | -177.1 | 0 | 0 | 111.8 | Y72 L76 R116 I153 | Y72-E78 CarbonylContact C-O 3.54Å; Y72-E78 VanDerWaalsContact C-O 3.27Å; Y72-E78 PolarHBondContact O-N 3.42Å; Y72-E78 VanDerWaalsContact O-O 3.07Å; L76-E78 VanDerWaalsContact C-N 3.3Å; L76-E78 HydrophobicContact CB-CB 4.32Å; L76-E78 PolarHBondContact O-N 3.36Å; E78-R116 IonicContact OE1-CZ 3.2Å; E78-R116 IonicContact OE1-NH1 3.23Å; E78-R116 PolarHBondContact OE1-NH1 2.83Å; E78-R116 IonicContact OE2-CZ 3.04Å; E78-R116 IonicContact OE2-NH1 2.74Å; E78-R116 PolarHBondContact OE2-NH1 3.28Å; E78-R116 IonicContact OE2-NH2 3.35Å; E78-R116 PolarHBondContact OE2-NH2 2.87Å; E78-I153 HydrophobicContact CB-CG2 3.66Å; E78-I153 HydrophobicContact CG-CG2 3.81Å; E78-I153 WeakPolarHBondContact OE2-CG2 3.47Å |
| 79 | V | 79.5 | Confident | 80.8 | Confident | 51 Ų | 51 | 55.5 Ų | 55.5 | 31% | 0.309 | 28% | 0.281 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 124.1 | 174.7 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | T81 I153 V154 F156 L159 | V79-T81 HydrophobicContact CG1-CG2 4.35Å; V79-I153 WeakPolarHBondContact O-CA 3.18Å; V79-V154 PolarHBondContact N-O 2.88Å; V79-V154 PolarHBondContact O-N 3.14Å; V79-F156 HydrophobicContact CG2-CD1 4.21Å; V79-F156 HydrophobicContact CG2-CE1 3.56Å; V79-F156 HydrophobicContact CG2-CZ 4.42Å; V79-L159 HydrophobicContact CG2-CD1 4.18Å |
| 80 | I | 78 | Confident | 80.6 | Confident | 50 Ų | 50 | 48.4 Ų | 48.4 | 26% | 0.256 | 26% | 0.255 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.6 | 128 | 168.9 | -61.5 | 172.6 | 0 | 0 | 0 | 108.5 | L68 Y72 F109 | L68-I80 HydrophobicContact CD2-CD1 3.82Å; Y72-I80 HydrophobicContact CD1-CD1 3.93Å; Y72-I80 HydrophobicContact CD1-CG1 3.74Å; Y72-I80 HydrophobicContact CD2-CD1 4.02Å; Y72-I80 HydrophobicContact CE1-CD1 4.28Å; Y72-I80 HydrophobicContact CE1-CG1 4.23Å; Y72-I80 HydrophobicContact CE2-CD1 4.37Å; Y72-I80 HydrophobicContact CG-CD1 3.78Å; Y72-I80 HydrophobicContact CG-CG1 4Å; I80-F109 HydrophobicContact CD1-CD1 4.03Å; I80-F109 HydrophobicContact CD1-CE1 4.04Å; I80-F109 HydrophobicContact CD1-CG 4.44Å; I80-F109 HydrophobicContact CD1-CZ 4.45Å; I80-F109 HydrophobicContact CG1-CD1 4.47Å; I80-F109 HydrophobicContact CG1-CE1 4.09Å; I80-F109 HydrophobicContact CG2-CE1 3.65Å; I80-F109 HydrophobicContact CG2-CE2 4.16Å; I80-F109 HydrophobicContact CG2-CZ 3.36Å |
| 81 | T | 74.2 | Confident | 80.3 | Confident | 13 Ų | 13 | 45.9 Ų | 45.9 | 8% | 0.08 | 24% | 0.241 | C | C | . | . | trans | -117.6 | 1.8 | -176.8 | 51.6 | 0 | 0 | 0 | 0 | 114.3 | V79 T151 S152 V154 V173 Q176 | V79-T81 HydrophobicContact CG1-CG2 4.35Å; T81-T151 CarbonylContact C-O 3.57Å; T81-T151 PolarHBondContact OG1-O 3.26Å; T81-S152 PolarHBondContact N-O 2.77Å; T81-S152 PolarHBondContact OG1-O 3.5Å; T81-V154 HydrophobicContact CG2-CG2 3.74Å; T81-V173 HydrophobicContact CG2-CG2 3.89Å; T81-Q176 PolarHBondContact O-NE2 2.93Å | ||
| 82 | I | 73.4 | Confident | 79.9 | Confident | 46 Ų | 46 | 51.6 Ų | 51.6 | 24% | 0.236 | 27% | 0.267 | C | S | . | . | S | Bend | trans | -71.7 | 141.8 | 167.3 | -48.4 | -172.4 | 0 | 0 | 0 | 110 | P84 F109 | I82-P84 WeakPolarHBondContact O-CD 3.49Å; I82-F109 HydrophobicContact CB-CZ 4.13Å; I82-F109 HydrophobicContact CD1-CE1 4.31Å; I82-F109 HydrophobicContact CD1-CE2 4.45Å; I82-F109 HydrophobicContact CD1-CZ 3.65Å; I82-F109 HydrophobicContact CG1-CZ 3.99Å |
| 83 | R | 72.4 | Confident | 79.5 | Confident | 64 Ų | 64 | 56 Ų | 56 | 24% | 0.242 | 29% | 0.289 | C | S | . | . | trans | -33.3 | 114.8 | 162.8 | -171.4 | -179 | 166.8 | 166 | 0.2 | 111.6 | Q176 I180 E183 | R83-Q176 HydrophobicContact CB-CB 4.47Å; R83-I180 HydrophobicContact CG-CD1 3.63Å; R83-I180 HydrophobicContact CG-CG1 3.74Å; R83-E183 IonicContact CZ-OE2 3.9Å; R83-E183 IonicContact NH1-OE2 3.95Å; R83-E183 PolarHBondContact NH1-OE2 3.24Å; R83-E183 IonicContact NH2-OE2 2.97Å; R83-E183 PolarHBondContact NH2-OE2 2.83Å | ||
| 84 | P | 72.7 | Confident | 78.8 | Confident | 89 Ų | 89 | 54 Ų | 54 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | trans | -54.1 | 134.6 | -177.5 | -31.4 | 36.4 | 0 | 0 | 0 | 113.8 | I82 | I82-P84 WeakPolarHBondContact O-CD 3.49Š| ||
| 85 | P | 79.6 | Confident | 78.3 | Confident | 24 Ų | 24 | 55.6 Ų | 55.6 | 16% | 0.156 | 29% | 0.293 | C | S | . | . | trans | -63.4 | 134.4 | -178.1 | -25.8 | 35.9 | 0 | 0 | 0 | 113.8 | I87 E102 K105 V106 | P85-I87 PolarHBondContact O-N 2.87Å; P85-E102 WeakPolarHBondContact CA-OE2 3.34Å; P85-K105 HydrophobicContact CG-CB 4.15Å; P85-V106 HydrophobicContact CB-CG2 3.54Å; P85-V106 HydrophobicContact CG-CG2 3.71Å | ||
| 86 | N | 79.4 | Confident | 78 | Confident | 58 Ų | 58 | 54.9 Ų | 54.9 | 31% | 0.31 | 29% | 0.29 | S | S | . | . | trans | -79.7 | 83.5 | -175.5 | -169.9 | -16.1 | 0 | 0 | 0 | 112.9 | V88 L89 V90 E102 | N86-V88 PolarHBondContact O-N 2.83Å; N86-V88 WeakPolarHBondContact OD1-CB 3.25Å; N86-V88 PolarHBondContact OD1-N 3.23Å; N86-V88 VanDerWaalsContact OD1-N 3.1Å; N86-L89 HydrophobicContact CB-CB 4.13Å; N86-L89 WeakPolarHBondContact O-CB 3.2Å; N86-L89 PolarHBondContact O-N 2.83Å; N86-L89 PolarHBondContact OD1-N 3.49Å; N86-V90 PolarHBondContact O-N 3.36Å; N86-E102 HydrophobicContact CB-CG 4.05Å; N86-E102 PolarHBondContact N-OE2 2.96Å | ||
| 87 | I | 82.1 | Confident | 77.6 | Confident | 31 Ų | 31 | 57 Ų | 57 | 16% | 0.159 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -63.1 | -22 | 175 | 60.5 | 171.6 | 0 | 0 | 0 | 114.2 | L58 W61 K62 I65 P85 S91 | L58-I87 HydrophobicContact CD1-CB 4.45Å; L58-I87 HydrophobicContact CD1-CD1 3.91Å; L58-I87 HydrophobicContact CD1-CG1 3.9Å; W61-I87 HydrophobicContact CB-CB 3.96Å; W61-I87 HydrophobicContact CB-CD1 4.26Å; W61-I87 HydrophobicContact CB-CG2 4.02Å; W61-I87 HydrophobicContact CD2-CG2 4.23Å; W61-I87 HydrophobicContact CE3-CG2 3.84Å; W61-I87 HydrophobicContact CG-CB 4.36Å; W61-I87 HydrophobicContact CG-CG2 4.33Å; K62-I87 HydrophobicContact CB-CD1 4.33Å; I65-I87 HydrophobicContact CD1-CG2 4.34Å; I65-I87 HydrophobicContact CG1-CG2 3.71Å; P85-I87 PolarHBondContact O-N 2.87Å; I87-S91 VanDerWaalsContact O-CB 3.24Å; I87-S91 WeakPolarHBondContact O-CB 3.36Å; I87-S91 PolarHBondContact O-N 2.66Å; I87-S91 PolarHBondContact O-OG 3.18Å |
| 88 | V | 80.4 | Confident | 77.2 | Confident | 60 Ų | 60 | 54.8 Ų | 54.8 | 36% | 0.364 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -70.8 | -38 | 176.1 | -178.7 | 0 | 0 | 0 | 0 | 110.1 | L58 N86 S91 K92 | L58-V88 HydrophobicContact CD1-CG2 4.03Å; N86-V88 PolarHBondContact O-N 2.83Å; N86-V88 WeakPolarHBondContact OD1-CB 3.25Å; N86-V88 PolarHBondContact OD1-N 3.23Å; N86-V88 VanDerWaalsContact OD1-N 3.1Å; V88-S91 WeakPolarHBondContact CA-OG 3.28Å; V88-S91 PolarHBondContact O-OG 2.54Å; V88-K92 HydrophobicContact CG1-CD 3.88Å; V88-K92 HydrophobicContact CG1-CG 4.3Å; V88-K92 VanDerWaalsContact O-CB 3.25Å; V88-K92 WeakPolarHBondContact O-CB 3.48Å; V88-K92 VanDerWaalsContact O-CG 3.31Å; V88-K92 WeakPolarHBondContact O-CG 3.26Å; V88-K92 PolarHBondContact O-N 3.13Å |
| 89 | L | 79.5 | Confident | 76.9 | Confident | 33 Ų | 33 | 53.4 Ų | 53.4 | 17% | 0.173 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -64.7 | -50.7 | 173.7 | -178.7 | 65.3 | 0 | 0 | 0 | 111.6 | N86 S91 K92 I93 Q98 A99 E102 | N86-L89 HydrophobicContact CB-CB 4.13Å; N86-L89 WeakPolarHBondContact O-CB 3.2Å; N86-L89 PolarHBondContact O-N 2.83Å; N86-L89 PolarHBondContact OD1-N 3.49Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.83Å; L89-K92 PolarHBondContact O-N 3.23Å; L89-I93 HydrophobicContact CD1-CB 4.41Å; L89-I93 HydrophobicContact CD1-CD1 4.41Å; L89-I93 CarbonylContact O-C 3.07Å; L89-I93 PolarHBondContact O-N 2.99Å; L89-Q98 HydrophobicContact CD2-CB 3.8Å; L89-Q98 HydrophobicContact CD2-CG 3.59Å; L89-A99 HydrophobicContact CG-CB 4.31Å; L89-E102 HydrophobicContact CD2-CG 4.32Å |
| 90 | V | 81.3 | Confident | 76.8 | Confident | 5 Ų | 5 | 53.7 Ų | 53.7 | 3% | 0.03 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.6 | -39 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 112 | W61 N86 A99 E102 | W61-V90 HydrophobicContact CH2-CG1 4.46Å; W61-V90 HydrophobicContact CZ2-CG1 3.67Å; N86-V90 PolarHBondContact O-N 3.36Å; V90-A99 HydrophobicContact CG2-CB 4.17Å; V90-E102 HydrophobicContact CG2-CB 4.01Å |
| 91 | S | 79.5 | Confident | 76.9 | Confident | 0 Ų | 0 | 56 Ų | 56 | 0% | 0 | 31% | 0.305 | C | S | . | . | H | α-helix | trans | -78.4 | -29.5 | -179.6 | 59.5 | 0 | 0 | 0 | 0 | 114.1 | R57 I87 V88 L89 | R57-S91 PolarHBondContact NE-O 2.88Å; R57-S91 VanDerWaalsContact NE-O 3.11Å; R57-S91 PolarHBondContact NH2-O 3.4Å; I87-S91 VanDerWaalsContact O-CB 3.24Å; I87-S91 WeakPolarHBondContact O-CB 3.36Å; I87-S91 PolarHBondContact O-N 2.66Å; I87-S91 PolarHBondContact O-OG 3.18Å; V88-S91 WeakPolarHBondContact CA-OG 3.28Å; V88-S91 PolarHBondContact O-OG 2.54Å; L89-S91 VanDerWaalsContact C-N 3.31Å; L89-S91 PolarHBondContact O-N 2.83Å |
| 92 | K | 78 | Confident | 77.3 | Confident | 128 Ų | 128 | 55.8 Ų | 55.8 | 56% | 0.557 | 30% | 0.304 | S | S | * | . | H | α-helix | trans | -85.2 | -48.5 | 176.1 | -75.3 | -178.4 | 178.3 | 179.5 | 0 | 114 | V54 V88 L89 | V54-K92 HydrophobicContact CG1-CG 3.92Å; V88-K92 HydrophobicContact CG1-CD 3.88Å; V88-K92 HydrophobicContact CG1-CG 4.3Å; V88-K92 VanDerWaalsContact O-CB 3.25Å; V88-K92 WeakPolarHBondContact O-CB 3.48Å; V88-K92 VanDerWaalsContact O-CG 3.31Å; V88-K92 WeakPolarHBondContact O-CG 3.26Å; V88-K92 PolarHBondContact O-N 3.13Å; L89-K92 PolarHBondContact O-N 3.23Å |
| 93 | I | 76.8 | Confident | 77.7 | Confident | 95 Ų | 95 | 54.1 Ų | 54.1 | 49% | 0.487 | 30% | 0.295 | S | S | . | . | trans | -129.6 | 72.6 | -167.7 | -44.8 | -179.7 | 0 | 0 | 0 | 109.2 | L89 D95 S96 A99 | L89-I93 HydrophobicContact CD1-CB 4.41Å; L89-I93 HydrophobicContact CD1-CD1 4.41Å; L89-I93 CarbonylContact O-C 3.07Å; L89-I93 PolarHBondContact O-N 2.99Å; I93-D95 VanDerWaalsContact C-N 3.29Å; I93-D95 PolarHBondContact O-N 3.15Å; I93-S96 WeakPolarHBondContact O-CB 3.38Å; I93-S96 PolarHBondContact O-N 2.83Å; I93-A99 WeakPolarHBondContact O-CB 3.44Å | ||
| 94 | P | 71.8 | Confident | 78.2 | Confident | 31 Ų | 31 | 54.5 Ų | 54.5 | 20% | 0.201 | 30% | 0.3 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.6 | -34.5 | -173.3 | 24.8 | -34.9 | 0 | 0 | 0 | 113.4 | T25 S96 | T25-P94 HydrophobicContact CG2-CB 3.36Å; P94-S96 PolarHBondContact O-N 3.12Å |
| 95 | D | 72.7 | Confident | 78.7 | Confident | 155 Ų | 155 | 53 Ų | 53 | 83% | 0.829 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.7 | 5.2 | -177.2 | -47 | -64.7 | 0 | 0 | 0 | 113.9 | I93 | I93-D95 VanDerWaalsContact C-N 3.29Å; I93-D95 PolarHBondContact O-N 3.15Å |
| 96 | S | 76.3 | Confident | 79 | Confident | 36 Ų | 36 | 52 Ų | 52 | 25% | 0.252 | 28% | 0.278 | S | S | . | . | trans | -76.3 | 132.2 | 179.7 | 179.5 | 0 | 0 | 0 | 0 | 111.5 | I93 P94 Q98 A99 D100 | I93-S96 WeakPolarHBondContact O-CB 3.38Å; I93-S96 PolarHBondContact O-N 2.83Å; P94-S96 PolarHBondContact O-N 3.12Å; S96-Q98 PolarHBondContact O-N 3.44Å; S96-Q98 VanDerWaalsContact O-N 3.09Å; S96-Q98 PolarHBondContact OG-N 2.82Å; S96-A99 WeakPolarHBondContact O-CA 3.33Å; S96-A99 WeakPolarHBondContact O-CB 3.32Å; S96-A99 PolarHBondContact O-N 2.83Å; S96-D100 PolarHBondContact O-N 3.21Å | ||
| 97 | A | 76.5 | Confident | 79.3 | Confident | 77 Ų | 77 | 49.2 Ų | 49.2 | 64% | 0.636 | 26% | 0.263 | S | S | * | . | H | α-helix | trans | -57.4 | -24.4 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | D100 Q101 | A97-D100 WeakPolarHBondContact O-CB 3.47Å; A97-Q101 PolarHBondContact O-N 3.46Å |
| 98 | Q | 73.6 | Confident | 79.5 | Confident | 72 Ų | 72 | 49.2 Ų | 49.2 | 34% | 0.336 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -79.5 | -32.3 | 172.8 | -167.1 | 64 | 42.4 | 0 | 0 | 112 | L89 S96 D100 Q101 E102 | L89-Q98 HydrophobicContact CD2-CB 3.8Å; L89-Q98 HydrophobicContact CD2-CG 3.59Å; S96-Q98 PolarHBondContact O-N 3.44Å; S96-Q98 VanDerWaalsContact O-N 3.09Å; S96-Q98 PolarHBondContact OG-N 2.82Å; Q98-D100 VanDerWaalsContact C-N 3.32Å; Q98-Q101 PolarHBondContact O-N 3.48Å; Q98-E102 PolarHBondContact NE2-OE1 3.21Å; Q98-E102 VanDerWaalsContact NE2-OE1 3.16Å; Q98-E102 WeakPolarHBondContact O-CG 3.46Å; Q98-E102 PolarHBondContact O-N 3.1Å |
| 99 | A | 77.1 | Confident | 79.8 | Confident | 3 Ų | 3 | 46.8 Ų | 46.8 | 3% | 0.025 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.7 | -38.1 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | L89 V90 I93 S96 Q101 E102 L103 | L89-A99 HydrophobicContact CG-CB 4.31Å; V90-A99 HydrophobicContact CG2-CB 4.17Å; I93-A99 WeakPolarHBondContact O-CB 3.44Å; S96-A99 WeakPolarHBondContact O-CA 3.33Å; S96-A99 WeakPolarHBondContact O-CB 3.32Å; S96-A99 PolarHBondContact O-N 2.83Å; A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 PolarHBondContact O-N 2.8Å; A99-E102 PolarHBondContact O-N 3.13Å; A99-L103 VanDerWaalsContact O-CB 3.22Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 PolarHBondContact O-N 3.48Å |
| 100 | D | 77.6 | Confident | 80.2 | Confident | 58 Ų | 58 | 45.2 Ų | 45.2 | 31% | 0.31 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -53.4 | -47.3 | 169.7 | -115.5 | 34.3 | 0 | 0 | 0 | 111.1 | M1 S96 A97 Q98 E104 | M1-D100 WeakPolarHBondContact CA-OD2 3.28Å; M1-D100 WeakPolarHBondContact CE-O 3.35Å; M1-D100 HydrophobicContact CG-CB 4.43Å; M1-D100 VanDerWaalsContact CG-CG 3.43Å; M1-D100 WeakPolarHBondContact CG-OD1 3.3Å; M1-D100 WeakPolarHBondContact CG-OD2 3.34Å; M1-D100 VanDerWaalsContact N-CG 3.34Å; M1-D100 PolarHBondContact N-OD1 3Å; M1-D100 PolarHBondContact N-OD2 3.42Å; S96-D100 PolarHBondContact O-N 3.21Å; A97-D100 WeakPolarHBondContact O-CB 3.47Å; Q98-D100 VanDerWaalsContact C-N 3.32Å; D100-E104 WeakPolarHBondContact O-CB 3.46Å; D100-E104 PolarHBondContact O-N 2.95Å |
| 101 | Q | 79 | Confident | 80.5 | Confident | 97 Ų | 97 | 45 Ų | 45 | 45% | 0.453 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -66 | -41.5 | 177.7 | -68.2 | 179.4 | 21 | 0 | 0 | 113.4 | A97 Q98 A99 E104 K105 | A97-Q101 PolarHBondContact O-N 3.46Å; Q98-Q101 PolarHBondContact O-N 3.48Å; A99-Q101 VanDerWaalsContact C-N 3.34Å; A99-Q101 PolarHBondContact O-N 2.8Å; Q101-E104 PolarHBondContact O-N 3.24Å; Q101-K105 WeakPolarHBondContact O-CG 3.32Å; Q101-K105 PolarHBondContact O-N 2.88Å |
| 102 | E | 82.9 | Confident | 80.8 | Confident | 9 Ų | 9 | 45 Ų | 45 | 4% | 0.042 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.5 | -38.8 | 178.2 | -60.1 | -47.8 | 128.6 | 0 | 0 | 111.9 | P85 N86 L89 V90 Q98 A99 E104 K105 V106 | P85-E102 WeakPolarHBondContact CA-OE2 3.34Å; N86-E102 HydrophobicContact CB-CG 4.05Å; N86-E102 PolarHBondContact N-OE2 2.96Å; L89-E102 HydrophobicContact CD2-CG 4.32Å; V90-E102 HydrophobicContact CG2-CB 4.01Å; Q98-E102 PolarHBondContact NE2-OE1 3.21Å; Q98-E102 VanDerWaalsContact NE2-OE1 3.16Å; Q98-E102 WeakPolarHBondContact O-CG 3.46Å; Q98-E102 PolarHBondContact O-N 3.1Å; A99-E102 PolarHBondContact O-N 3.13Å; E102-E104 VanDerWaalsContact C-N 3.32Å; E102-E104 PolarHBondContact O-N 2.9Å; E102-K105 PolarHBondContact O-N 3.09Å; E102-K105 IonicContact OE1-NZ 2.85Å; E102-K105 PolarHBondContact OE1-NZ 3.03Å; E102-K105 IonicContact OE2-NZ 2.66Å; E102-K105 PolarHBondContact OE2-NZ 3.26Å; E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 2.76Å |
| 103 | L | 82.7 | Confident | 81.1 | Confident | 11 Ų | 11 | 38.9 Ų | 38.9 | 6% | 0.058 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -62 | -39.5 | 173.8 | 175.4 | 60.6 | 0 | 0 | 0 | 111.4 | M1 L24 L30 W61 A99 V106 L107 | M1-L103 HydrophobicContact CE-CB 3.76Å; M1-L103 HydrophobicContact CE-CD2 3.74Å; M1-L103 HydrophobicContact CE-CG 3.54Å; M1-L103 HydrophobicContact SD-CD2 3.86Å; M1-L103 HydrophobicContact SD-CG 4.18Å; L24-L103 HydrophobicContact CB-CD1 4.43Å; L24-L103 HydrophobicContact CB-CD2 4.11Å; L24-L103 HydrophobicContact CD2-CD1 4.13Å; L24-L103 HydrophobicContact CD2-CD2 4.38Å; L30-L103 HydrophobicContact CD1-CD1 4.13Å; W61-L103 HydrophobicContact CH2-CD1 3.57Å; W61-L103 HydrophobicContact CZ2-CD1 4.03Å; A99-L103 VanDerWaalsContact O-CB 3.22Å; A99-L103 WeakPolarHBondContact O-CB 3.3Å; A99-L103 PolarHBondContact O-N 3.48Å; L103-V106 PolarHBondContact O-N 2.84Å; L103-L107 HydrophobicContact CD1-CG 4.41Å; L103-L107 HydrophobicContact CG-CD1 4.37Å; L103-L107 WeakPolarHBondContact O-CG 3.43Å; L103-L107 PolarHBondContact O-N 2.82Å |
| 104 | E | 83.1 | Confident | 81.5 | Confident | 73 Ų | 73 | 34.4 Ų | 34.4 | 34% | 0.341 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -62.8 | -43 | 177.7 | -173.3 | 153.8 | -122.9 | 0 | 0 | 112.7 | M1 S3 L5 D100 Q101 E102 V106 L107 L108 | M1-E104 HydrophobicContact CE-CB 3.78Å; S3-E104 WeakPolarHBondContact CB-OE1 3.47Å; S3-E104 PolarHBondContact OG-OE1 2.77Å; L5-E104 HydrophobicContact CD1-CG 3.79Å; D100-E104 WeakPolarHBondContact O-CB 3.46Å; D100-E104 PolarHBondContact O-N 2.95Å; Q101-E104 PolarHBondContact O-N 3.24Å; E102-E104 VanDerWaalsContact C-N 3.32Å; E102-E104 PolarHBondContact O-N 2.9Å; E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 3.31Å; E104-L107 PolarHBondContact O-N 3.42Å; E104-L108 WeakPolarHBondContact O-CB 3.5Å; E104-L108 PolarHBondContact O-N 3.2Å |
| 105 | K | 82.9 | Confident | 82.1 | Confident | 56 Ų | 56 | 34.3 Ų | 34.3 | 24% | 0.243 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -57.2 | -41.3 | 173.3 | -63.3 | 169.2 | -162.5 | 171.1 | 0 | 111.6 | P85 Q101 E102 L108 F109 | P85-K105 HydrophobicContact CG-CB 4.15Å; Q101-K105 WeakPolarHBondContact O-CG 3.32Å; Q101-K105 PolarHBondContact O-N 2.88Å; E102-K105 PolarHBondContact O-N 3.09Å; E102-K105 IonicContact OE1-NZ 2.85Å; E102-K105 PolarHBondContact OE1-NZ 3.03Å; E102-K105 IonicContact OE2-NZ 2.66Å; E102-K105 PolarHBondContact OE2-NZ 3.26Å; K105-L108 PolarHBondContact O-N 3.04Å; K105-F109 WeakPolarHBondContact O-CD2 3.34Å; K105-F109 PolarHBondContact O-N 3.31Å; K105-F109 VanDerWaalsContact O-N 3.1Å |
| 106 | V | 85.8 | Confident | 82.6 | Confident | 4 Ų | 4 | 30.1 Ų | 30.1 | 2% | 0.024 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -70.9 | -44.4 | -179.6 | -177.5 | 0 | 0 | 0 | 0 | 111.7 | W61 M64 I65 P85 E102 L103 E104 L108 F109 L110 | W61-V106 HydrophobicContact CZ3-CB 4.36Å; W61-V106 HydrophobicContact CZ3-CG1 4.02Å; W61-V106 HydrophobicContact CZ3-CG2 4.3Å; M64-V106 HydrophobicContact CE-CG1 3.24Å; I65-V106 HydrophobicContact CD1-CG1 4.1Å; I65-V106 HydrophobicContact CD1-CG2 3.87Å; P85-V106 HydrophobicContact CB-CG2 3.54Å; P85-V106 HydrophobicContact CG-CG2 3.71Å; E102-V106 WeakPolarHBondContact O-CG2 3.41Å; E102-V106 PolarHBondContact O-N 2.76Å; L103-V106 PolarHBondContact O-N 2.84Å; E104-V106 VanDerWaalsContact C-N 3.27Å; E104-V106 PolarHBondContact O-N 3.31Å; V106-L108 PolarHBondContact O-N 3.29Å; V106-F109 PolarHBondContact O-N 2.89Å; V106-L110 WeakPolarHBondContact O-CB 3.46Å; V106-L110 PolarHBondContact O-N 2.86Å |
| 107 | L | 86.2 | Confident | 83 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -57 | -38.7 | 173.8 | -71.5 | 175.3 | 0 | 0 | 0 | 111.5 | M1 L5 A9 L24 L30 L103 E104 L110 L111 | M1-L107 HydrophobicContact CE-CD1 4.16Å; M1-L107 HydrophobicContact SD-CD1 4.11Å; L5-L107 HydrophobicContact CB-CB 4.17Å; L5-L107 HydrophobicContact CB-CD1 4.45Å; A9-L107 HydrophobicContact CB-CD2 3.99Å; L24-L107 HydrophobicContact CD2-CD1 4.47Å; L24-L107 HydrophobicContact CD2-CD2 4.21Å; L30-L107 HydrophobicContact CD1-CD2 4.47Å; L30-L107 HydrophobicContact CD2-CD2 3.66Å; L103-L107 HydrophobicContact CD1-CG 4.41Å; L103-L107 HydrophobicContact CG-CD1 4.37Å; L103-L107 WeakPolarHBondContact O-CG 3.43Å; L103-L107 PolarHBondContact O-N 2.82Å; E104-L107 PolarHBondContact O-N 3.42Å; L107-L110 PolarHBondContact O-N 3.46Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 PolarHBondContact O-N 2.72Å |
| 108 | L | 85.9 | Confident | 83.2 | Confident | 30 Ų | 30 | 32.5 Ų | 32.5 | 16% | 0.157 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -65.6 | -44.6 | 177.4 | -177.5 | 50.9 | 0 | 0 | 0 | 112.9 | L5 E104 K105 V106 L110 C112 C142 V146 | L5-L108 HydrophobicContact CD1-CB 3.92Å; L5-L108 HydrophobicContact CD1-CD1 4.34Å; L5-L108 HydrophobicContact CD2-CD1 4.25Å; E104-L108 WeakPolarHBondContact O-CB 3.5Å; E104-L108 PolarHBondContact O-N 3.2Å; K105-L108 PolarHBondContact O-N 3.04Å; V106-L108 PolarHBondContact O-N 3.29Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L108-C112 WeakPolarHBondContact O-CB 3.33Å; L108-C112 PolarHBondContact O-N 3.45Å; L108-C112 PolarHBondContact O-SG 3.34Å; L108-C142 HydrophobicContact CD1-CB 3.68Å; L108-V146 HydrophobicContact CD1-CG2 4.35Å; L108-V146 HydrophobicContact CD2-CG2 3.55Å; L108-V146 HydrophobicContact CG-CG2 3.81Å |
| 109 | F | 86.5 | Confident | 83.7 | Confident | 9 Ų | 9 | 34.2 Ų | 34.2 | 4% | 0.039 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -65.7 | -34.9 | 173.5 | -73.7 | -59.8 | 0 | 0 | 0 | 112.9 | L68 Y72 I80 I82 K105 V106 C112 A113 V146 I153 | L68-F109 HydrophobicContact CD1-CB 3.92Å; L68-F109 HydrophobicContact CD2-CB 4.02Å; Y72-F109 HydrophobicContact CE1-CD1 4.49Å; Y72-F109 PolarHBondContact OH-O 3.34Å; I80-F109 HydrophobicContact CD1-CD1 4.03Å; I80-F109 HydrophobicContact CD1-CE1 4.04Å; I80-F109 HydrophobicContact CD1-CG 4.44Å; I80-F109 HydrophobicContact CD1-CZ 4.45Å; I80-F109 HydrophobicContact CG1-CD1 4.47Å; I80-F109 HydrophobicContact CG1-CE1 4.09Å; I80-F109 HydrophobicContact CG2-CE1 3.65Å; I80-F109 HydrophobicContact CG2-CE2 4.16Å; I80-F109 HydrophobicContact CG2-CZ 3.36Å; I82-F109 HydrophobicContact CB-CZ 4.13Å; I82-F109 HydrophobicContact CD1-CE1 4.31Å; I82-F109 HydrophobicContact CD1-CE2 4.45Å; I82-F109 HydrophobicContact CD1-CZ 3.65Å; I82-F109 HydrophobicContact CG1-CZ 3.99Å; K105-F109 WeakPolarHBondContact O-CD2 3.34Å; K105-F109 PolarHBondContact O-N 3.31Å; K105-F109 VanDerWaalsContact O-N 3.1Å; V106-F109 PolarHBondContact O-N 2.89Å; F109-C112 PolarHBondContact O-N 3.38Å; F109-A113 PolarHBondContact O-N 3.48Å; F109-V146 HydrophobicContact CE1-CG1 4.39Å; F109-I153 HydrophobicContact CE1-CG1 4.45Å |
| 110 | L | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 40.3 Ų | 40.3 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -66.6 | -44.6 | 177.3 | -170.1 | 67 | 0 | 0 | 0 | 111.2 | W8 L30 I33 F34 I37 M64 L68 V106 L107 L108 A113 A114 | W8-L110 HydrophobicContact CH2-CB 4.44Å; W8-L110 HydrophobicContact CH2-CD2 4.35Å; W8-L110 HydrophobicContact CH2-CG 4.05Å; W8-L110 HydrophobicContact CZ3-CB 4.36Å; W8-L110 HydrophobicContact CZ3-CD2 4.22Å; W8-L110 HydrophobicContact CZ3-CG 4.24Å; L30-L110 HydrophobicContact CB-CD2 4.42Å; L30-L110 HydrophobicContact CD2-CD2 3.97Å; I33-L110 HydrophobicContact CB-CD2 4.29Å; I33-L110 HydrophobicContact CG2-CD2 3.85Å; I33-L110 HydrophobicContact CG2-CG 4.2Å; F34-L110 HydrophobicContact CB-CD1 4.37Å; F34-L110 HydrophobicContact CD2-CD1 3.55Å; F34-L110 HydrophobicContact CE2-CD1 4.3Å; F34-L110 HydrophobicContact CG-CD1 4.43Å; I37-L110 HydrophobicContact CD1-CD1 3.62Å; I37-L110 HydrophobicContact CD1-CG 4.02Å; M64-L110 HydrophobicContact SD-CD1 4.31Å; L68-L110 HydrophobicContact CD1-CB 4.46Å; L68-L110 HydrophobicContact CD1-CD1 4.45Å; V106-L110 WeakPolarHBondContact O-CB 3.46Å; V106-L110 PolarHBondContact O-N 2.86Å; L107-L110 PolarHBondContact O-N 3.46Å; L108-L110 VanDerWaalsContact C-N 3.33Å; L110-A113 WeakPolarHBondContact O-CB 3.22Å; L110-A113 PolarHBondContact O-N 2.95Å; L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 3.38Å |
| 111 | L | 87.5 | Confident | 84.3 | Confident | 0 Ų | 0 | 41.8 Ų | 41.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -58.9 | -45.9 | 170.5 | 171.2 | 67.9 | 0 | 0 | 0 | 111.7 | L5 W8 L107 A113 A114 V115 I127 I139 I143 | L5-L111 HydrophobicContact CD2-CB 4.49Å; L5-L111 HydrophobicContact CD2-CD2 3.41Å; L5-L111 VanDerWaalsContact CD2-CD2 3.41Å; W8-L111 HydrophobicContact CD2-CB 4.36Å; W8-L111 HydrophobicContact CD2-CD1 3.87Å; W8-L111 HydrophobicContact CE3-CB 4.11Å; W8-L111 HydrophobicContact CE3-CD1 4.47Å; W8-L111 HydrophobicContact CG-CD1 4.14Å; W8-L111 HydrophobicContact CH2-CB 4.13Å; W8-L111 HydrophobicContact CZ2-CB 4.37Å; W8-L111 HydrophobicContact CZ2-CD1 4.07Å; W8-L111 HydrophobicContact CZ3-CB 3.99Å; L107-L111 WeakPolarHBondContact O-CB 3.34Å; L107-L111 PolarHBondContact O-N 2.72Å; L111-A113 PolarHBondContact O-N 3.34Å; L111-A114 PolarHBondContact O-N 2.58Å; L111-A114 VanDerWaalsContact O-N 3.16Å; L111-V115 HydrophobicContact CD1-CG2 3.87Å; L111-V115 HydrophobicContact CG-CG2 4.47Å; L111-V115 WeakPolarHBondContact O-CG2 3.4Å; L111-V115 PolarHBondContact O-N 2.98Å; L111-I127 HydrophobicContact CD1-CD1 4.11Å; L111-I139 HydrophobicContact CD1-CG2 4.26Å; L111-I139 HydrophobicContact CD2-CG2 3.92Å; L111-I143 HydrophobicContact CD1-CD1 4.36Å; L111-I143 HydrophobicContact CD2-CD1 4.11Å; L111-I143 HydrophobicContact CD2-CG1 3.78Å; L111-I143 HydrophobicContact CG-CD1 4.23Å; L111-I143 HydrophobicContact CG-CG1 4.05Å |
| 112 | C | 85.4 | Confident | 84.6 | Confident | 1 Ų | 1 | 41.3 Ų | 41.3 | 1% | 0.007 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -69.2 | -16 | 179.6 | -67 | 0 | 0 | 0 | 0 | 113.6 | Y72 L108 F109 R116 V146 | Y72-C112 VanDerWaalsContact OH-CB 3.28Å; Y72-C112 WeakPolarHBondContact OH-CB 3.41Å; L108-C112 WeakPolarHBondContact O-CB 3.33Å; L108-C112 PolarHBondContact O-N 3.45Å; L108-C112 PolarHBondContact O-SG 3.34Å; F109-C112 PolarHBondContact O-N 3.38Å; C112-R116 WeakPolarHBondContact O-CG 3.16Å; C112-R116 PolarHBondContact O-NE 2.91Å; C112-V146 HydrophobicContact CB-CG1 4.47Å |
| 113 | A | 86 | Confident | 84.7 | Confident | 0 Ų | 0 | 40.9 Ų | 40.9 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -82.5 | -48 | 165.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | I37 Y71 Y72 F109 L110 L111 V115 R116 C117 | I37-A113 HydrophobicContact CG2-CB 4.06Å; Y71-A113 HydrophobicContact CD1-CB 3.89Å; Y71-A113 HydrophobicContact CE1-CB 3.68Å; Y72-A113 HydrophobicContact CE2-CB 4.11Å; F109-A113 PolarHBondContact O-N 3.48Å; L110-A113 WeakPolarHBondContact O-CB 3.22Å; L110-A113 PolarHBondContact O-N 2.95Å; L111-A113 PolarHBondContact O-N 3.34Å; A113-V115 VanDerWaalsContact C-N 3.29Å; A113-V115 PolarHBondContact O-N 2.87Å; A113-R116 CarbonylContact O-C 3.59Å; A113-R116 PolarHBondContact O-N 2.87Å; A113-C117 PolarHBondContact O-N 3.4Å |
| 114 | A | 85.1 | Confident | 84.8 | Confident | 0 Ų | 0 | 43.2 Ų | 43.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -58.3 | -35.3 | 179.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | W8 I37 L110 L111 R116 C117 F123 | W8-A114 HydrophobicContact CH2-CB 4.14Å; W8-A114 HydrophobicContact CZ2-CB 3.67Å; I37-A114 HydrophobicContact CD1-CB 3.76Å; I37-A114 HydrophobicContact CG1-CB 3.92Å; L110-A114 WeakPolarHBondContact O-CB 3.34Å; L110-A114 PolarHBondContact O-N 3.38Å; L111-A114 PolarHBondContact O-N 2.58Å; L111-A114 VanDerWaalsContact O-N 3.16Å; A114-R116 VanDerWaalsContact C-N 3.26Å; A114-R116 PolarHBondContact O-N 3.02Å; A114-C117 PolarHBondContact O-SG 3.46Å; A114-F123 HydrophobicContact CB-CB 4.39Å; A114-F123 HydrophobicContact CB-CD1 3.8Å; A114-F123 HydrophobicContact CB-CD2 4.1Å; A114-F123 HydrophobicContact CB-CE1 4.02Å; A114-F123 HydrophobicContact CB-CE2 4.31Å; A114-F123 HydrophobicContact CB-CG 3.84Å; A114-F123 HydrophobicContact CB-CZ 4.26Å; A114-F123 VanDerWaalsContact O-CD2 3.27Å; A114-F123 WeakPolarHBondContact O-CD2 3.27Å |
| 115 | V | 84.3 | Confident | 84.9 | Confident | 30 Ų | 30 | 46.1 Ų | 46.1 | 18% | 0.182 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -77.7 | -11.5 | 176.9 | 174.6 | 0 | 0 | 0 | 0 | 112.4 | L111 A113 R120 I127 I143 | L111-V115 HydrophobicContact CD1-CG2 3.87Å; L111-V115 HydrophobicContact CG-CG2 4.47Å; L111-V115 WeakPolarHBondContact O-CG2 3.4Å; L111-V115 PolarHBondContact O-N 2.98Å; A113-V115 VanDerWaalsContact C-N 3.29Å; A113-V115 PolarHBondContact O-N 2.87Å; V115-R120 VanDerWaalsContact O-CB 3.25Å; V115-R120 WeakPolarHBondContact O-CB 3.3Å; V115-I127 HydrophobicContact CG2-CD1 4.42Å; V115-I143 HydrophobicContact CG2-CD1 3.99Å |
| 116 | R | 82.4 | Confident | 85 | Confident | 66 Ų | 66 | 45.5 Ų | 45.5 | 25% | 0.249 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -118.6 | -7.8 | -175.7 | -61.6 | -164 | -63.7 | 156.8 | -8 | 115.3 | Y72 L76 E78 C112 A113 A114 | Y72-R116 VanDerWaalsContact CE1-NH2 3.26Å; L76-R116 HydrophobicContact CD2-CB 4.1Å; E78-R116 IonicContact OE1-CZ 3.2Å; E78-R116 IonicContact OE1-NH1 3.23Å; E78-R116 PolarHBondContact OE1-NH1 2.83Å; E78-R116 IonicContact OE2-CZ 3.04Å; E78-R116 IonicContact OE2-NH1 2.74Å; E78-R116 PolarHBondContact OE2-NH1 3.28Å; E78-R116 IonicContact OE2-NH2 3.35Å; E78-R116 PolarHBondContact OE2-NH2 2.87Å; C112-R116 WeakPolarHBondContact O-CG 3.16Å; C112-R116 PolarHBondContact O-NE 2.91Å; A113-R116 CarbonylContact O-C 3.59Å; A113-R116 PolarHBondContact O-N 2.87Å; A114-R116 VanDerWaalsContact C-N 3.26Å; A114-R116 PolarHBondContact O-N 3.02Å |
| 117 | C | 85 | Confident | 84.9 | Confident | 2 Ų | 2 | 46.1 Ų | 46.1 | 1% | 0.014 | 21% | 0.206 | C | C | . | . | S | Bend | trans | -71.4 | 167.2 | 173.6 | 74.2 | 0 | 0 | 0 | 0 | 113 | I37 Y71 A113 A114 R119 R120 | I37-C117 HydrophobicContact CG2-CB 3.86Å; I37-C117 WeakPolarHBondContact O-CB 3.32Å; Y71-C117 WeakPolarHBondContact OH-CA 3.27Å; Y71-C117 VanDerWaalsContact OH-CB 3.22Å; Y71-C117 WeakPolarHBondContact OH-CB 3.39Å; A113-C117 PolarHBondContact O-N 3.4Å; A114-C117 PolarHBondContact O-SG 3.46Å; C117-R119 PolarHBondContact O-N 2.73Å; C117-R119 VanDerWaalsContact O-N 3.11Å; C117-R120 VanDerWaalsContact O-CB 3.27Å; C117-R120 WeakPolarHBondContact O-CB 3.48Å; C117-R120 PolarHBondContact O-N 2.8Å |
| 118 | D | 80.7 | Confident | 84.8 | Confident | 162 Ų | 162 | 51.3 Ų | 51.3 | 87% | 0.866 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -60.4 | -25 | -179.2 | -57.5 | -57.5 | 0 | 0 | 0 | 112.8 | ||
| 119 | R | 83.1 | Confident | 84.7 | Confident | 107 Ų | 107 | 56.4 Ų | 56.4 | 40% | 0.404 | 26% | 0.255 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 14.1 | 175.7 | -69.1 | -175.9 | 59 | 172.5 | -6.4 | 114.2 | E39 C117 D121 Y122 | E39-R119 WeakPolarHBondContact OE1-CD 3.23Å; E39-R119 IonicContact OE1-CZ 3.92Å; E39-R119 IonicContact OE1-NE 3.71Å; E39-R119 IonicContact OE1-NH1 3.3Å; E39-R119 PolarHBondContact OE1-NH1 3.09Å; C117-R119 PolarHBondContact O-N 2.73Å; C117-R119 VanDerWaalsContact O-N 3.11Å; R119-D121 PolarHBondContact O-N 2.88Å; R119-Y122 VanDerWaalsContact O-CB 3.3Å; R119-Y122 WeakPolarHBondContact O-CB 3.42Å; R119-Y122 PolarHBondContact O-N 2.78Å |
| 120 | R | 84.7 | Confident | 84.6 | Confident | 132 Ų | 132 | 60.6 Ų | 60.6 | 50% | 0.498 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -47.6 | -34.9 | -179 | 66.6 | -176.3 | -171.8 | -152.9 | -3.3 | 114.9 | V115 C117 Y122 F123 I124 | V115-R120 VanDerWaalsContact O-CB 3.25Å; V115-R120 WeakPolarHBondContact O-CB 3.3Å; C117-R120 VanDerWaalsContact O-CB 3.27Å; C117-R120 WeakPolarHBondContact O-CB 3.48Å; C117-R120 PolarHBondContact O-N 2.8Å; R120-Y122 PolarHBondContact O-N 3.38Å; R120-F123 PolarHBondContact O-N 2.8Å; R120-F123 VanDerWaalsContact O-N 3.1Å; R120-I124 HydrophobicContact CB-CD1 4.14Å; R120-I124 HydrophobicContact CG-CD1 4.24Å; R120-I124 WeakPolarHBondContact O-CB 3.38Å; R120-I124 VanDerWaalsContact O-CG1 3.27Å; R120-I124 WeakPolarHBondContact O-CG1 3.35Å; R120-I124 PolarHBondContact O-N 2.79Å |
| 121 | D | 83.8 | Confident | 84.5 | Confident | 88 Ų | 88 | 61.4 Ų | 61.4 | 47% | 0.471 | 28% | 0.282 | S | S | . | . | H | α-helix | trans | -60.6 | -28.2 | 178.9 | -78.8 | 23.2 | 0 | 0 | 0 | 112.9 | R119 R125 | R119-D121 PolarHBondContact O-N 2.88Å; D121-R125 WeakPolarHBondContact O-CB 3.43Å; D121-R125 WeakPolarHBondContact O-CG 3.22Å; D121-R125 PolarHBondContact O-N 2.8Å; D121-R125 PolarHBondContact O-NE 3.36Å; D121-R125 IonicContact OD2-NH2 2.81Å |
| 122 | Y | 86 | Confident | 84.3 | Confident | 88 Ų | 88 | 66.6 Ų | 66.6 | 35% | 0.345 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -69.8 | -52 | 171.8 | 170.1 | -104.8 | 0 | 0 | 0 | 110.5 | F12 I36 R119 R120 I124 R125 Q126 | F12-Y122 AromaticContact CE1-CE1 3.88Å; F12-Y122 HydrophobicContact CE1-CE1 3.88Å; I36-Y122 HydrophobicContact CG2-CE1 4.13Å; R119-Y122 VanDerWaalsContact O-CB 3.3Å; R119-Y122 WeakPolarHBondContact O-CB 3.42Å; R119-Y122 PolarHBondContact O-N 2.78Å; R120-Y122 PolarHBondContact O-N 3.38Å; Y122-I124 PolarHBondContact O-N 3.29Å; Y122-R125 PolarHBondContact O-N 3.46Å; Y122-Q126 HydrophobicContact CE1-CG 4.46Å; Y122-Q126 HydrophobicContact CE2-CG 4.25Å; Y122-Q126 VanDerWaalsContact O-CG 3.32Å; Y122-Q126 WeakPolarHBondContact O-CG 3.38Å; Y122-Q126 PolarHBondContact O-N 2.81Å |
| 123 | F | 84.4 | Confident | 84.2 | Confident | 0 Ų | 0 | 70.9 Ų | 70.9 | 0% | 0 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -62.3 | -40.4 | 179 | -66.2 | -79 | 0 | 0 | 0 | 112.5 | W8 F12 I36 I37 A114 R120 Q126 I127 | W8-F123 HydrophobicContact CZ2-CD1 4.43Å; F12-F123 AromaticContact CE1-CD1 3.91Å; F12-F123 HydrophobicContact CE1-CD1 3.91Å; F12-F123 AromaticContact CE1-CE1 3.91Å; F12-F123 HydrophobicContact CE1-CE1 3.91Å; F12-F123 HydrophobicContact CE2-CD1 4.27Å; F12-F123 HydrophobicContact CE2-CE1 4.49Å; F12-F123 AromaticContact CZ-CD1 3.55Å; F12-F123 HydrophobicContact CZ-CD1 3.55Å; F12-F123 AromaticContact CZ-CE1 3.91Å; F12-F123 HydrophobicContact CZ-CE1 3.91Å; I36-F123 HydrophobicContact CB-CZ 4.27Å; I36-F123 HydrophobicContact CG2-CE1 4.42Å; I36-F123 HydrophobicContact CG2-CZ 3.79Å; I37-F123 HydrophobicContact CG1-CE1 4.23Å; I37-F123 HydrophobicContact CG1-CE2 4.12Å; I37-F123 HydrophobicContact CG1-CZ 3.59Å; A114-F123 HydrophobicContact CB-CB 4.39Å; A114-F123 HydrophobicContact CB-CD1 3.8Å; A114-F123 HydrophobicContact CB-CD2 4.1Å; A114-F123 HydrophobicContact CB-CE1 4.02Å; A114-F123 HydrophobicContact CB-CE2 4.31Å; A114-F123 HydrophobicContact CB-CG 3.84Å; A114-F123 HydrophobicContact CB-CZ 4.26Å; A114-F123 VanDerWaalsContact O-CD2 3.27Å; A114-F123 WeakPolarHBondContact O-CD2 3.27Å; R120-F123 PolarHBondContact O-N 2.8Å; R120-F123 VanDerWaalsContact O-N 3.1Å; F123-Q126 PolarHBondContact O-N 3.03Å; F123-I127 WeakPolarHBondContact O-CD1 3.11Å; F123-I127 VanDerWaalsContact O-CG1 3.27Å; F123-I127 WeakPolarHBondContact O-CG1 3.05Å; F123-I127 PolarHBondContact O-N 2.9Å |
| 124 | I | 84.5 | Confident | 83.9 | Confident | 59 Ų | 59 | 77.1 Ų | 77.1 | 30% | 0.303 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -66.9 | -39.5 | 178.1 | -66.4 | 165 | 0 | 0 | 0 | 111 | R120 Y122 I127 M128 | R120-I124 HydrophobicContact CB-CD1 4.14Å; R120-I124 HydrophobicContact CG-CD1 4.24Å; R120-I124 WeakPolarHBondContact O-CB 3.38Å; R120-I124 VanDerWaalsContact O-CG1 3.27Å; R120-I124 WeakPolarHBondContact O-CG1 3.35Å; R120-I124 PolarHBondContact O-N 2.79Å; Y122-I124 PolarHBondContact O-N 3.29Å; I124-I127 PolarHBondContact O-N 3.34Å; I124-M128 HydrophobicContact CG2-CE 3.99Å; I124-M128 HydrophobicContact CG2-SD 4.2Å; I124-M128 WeakPolarHBondContact O-CG 3.49Å; I124-M128 PolarHBondContact O-N 2.9Å |
| 125 | R | 86.3 | Confident | 83.9 | Confident | 135 Ų | 135 | 77.8 Ų | 77.8 | 51% | 0.509 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -64.6 | -45.7 | 172.4 | -74.3 | 173.9 | -146.1 | 178.6 | 7.5 | 112 | D121 Y122 I127 M128 E129 | D121-R125 WeakPolarHBondContact O-CB 3.43Å; D121-R125 WeakPolarHBondContact O-CG 3.22Å; D121-R125 PolarHBondContact O-N 2.8Å; D121-R125 PolarHBondContact O-NE 3.36Å; D121-R125 IonicContact OD2-NH2 2.81Å; Y122-R125 PolarHBondContact O-N 3.46Å; R125-I127 VanDerWaalsContact C-N 3.25Å; R125-I127 PolarHBondContact O-N 2.73Å; R125-M128 HydrophobicContact CG-CE 4.33Å; R125-M128 PolarHBondContact O-N 2.71Å; R125-M128 VanDerWaalsContact O-N 3.14Å; R125-E129 VanDerWaalsContact O-CB 3.3Å; R125-E129 WeakPolarHBondContact O-CB 3.44Å; R125-E129 WeakPolarHBondContact O-CG 3.45Å; R125-E129 PolarHBondContact O-N 3.49Å |
| 126 | Q | 83.4 | Confident | 83.8 | Confident | 42 Ų | 42 | 78.9 Ų | 78.9 | 20% | 0.196 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -55.9 | -41.3 | 175 | -69.4 | -67.1 | -12.5 | 0 | 0 | 111.9 | L11 F12 Y122 F123 N130 | L11-Q126 HydrophobicContact CD1-CB 4.2Å; F12-Q126 HydrophobicContact CE1-CB 4.5Å; F12-Q126 HydrophobicContact CE1-CG 4.19Å; F12-Q126 HydrophobicContact CZ-CB 4.17Å; F12-Q126 HydrophobicContact CZ-CG 4.35Å; Y122-Q126 HydrophobicContact CE1-CG 4.46Å; Y122-Q126 HydrophobicContact CE2-CG 4.25Å; Y122-Q126 VanDerWaalsContact O-CG 3.32Å; Y122-Q126 WeakPolarHBondContact O-CG 3.38Å; Y122-Q126 PolarHBondContact O-N 2.81Å; F123-Q126 PolarHBondContact O-N 3.03Å; Q126-N130 WeakPolarHBondContact O-CB 3.42Å; Q126-N130 PolarHBondContact O-N 2.91Å; Q126-N130 VanDerWaalsContact O-N 3.16Å; Q126-N130 PolarHBondContact OE1-ND2 3.48Å |
| 127 | I | 84.7 | Confident | 83.9 | Confident | 17 Ų | 17 | 80 Ų | 80 | 9% | 0.087 | 39% | 0.392 | C | S | . | . | H | α-helix | trans | -65.7 | -45.4 | 175.6 | -69.7 | 162.4 | 0 | 0 | 0 | 111.9 | L111 V115 F123 I124 R125 L131 Q136 I139 | L111-I127 HydrophobicContact CD1-CD1 4.11Å; V115-I127 HydrophobicContact CG2-CD1 4.42Å; F123-I127 WeakPolarHBondContact O-CD1 3.11Å; F123-I127 VanDerWaalsContact O-CG1 3.27Å; F123-I127 WeakPolarHBondContact O-CG1 3.05Å; F123-I127 PolarHBondContact O-N 2.9Å; I124-I127 PolarHBondContact O-N 3.34Å; R125-I127 VanDerWaalsContact C-N 3.25Å; R125-I127 PolarHBondContact O-N 2.73Å; I127-L131 HydrophobicContact CG1-CD1 4.35Å; I127-L131 HydrophobicContact CG2-CD1 4.44Å; I127-Q136 HydrophobicContact CG2-CG 4.14Å; I127-Q136 WeakPolarHBondContact O-CG 3.3Å; I127-Q136 PolarHBondContact O-NE2 2.89Å; I127-I139 HydrophobicContact CD1-CG2 4.45Å |
| 128 | M | 82.8 | Confident | 83.9 | Confident | 109 Ų | 109 | 80.6 Ų | 80.6 | 54% | 0.537 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -72.3 | -33.7 | -177.6 | -69.7 | -175.8 | -50.8 | 0 | 0 | 113.9 | I124 R125 Q136 | I124-M128 HydrophobicContact CG2-CE 3.99Å; I124-M128 HydrophobicContact CG2-SD 4.2Å; I124-M128 WeakPolarHBondContact O-CG 3.49Å; I124-M128 PolarHBondContact O-N 2.9Å; R125-M128 HydrophobicContact CG-CE 4.33Å; R125-M128 PolarHBondContact O-N 2.71Å; R125-M128 VanDerWaalsContact O-N 3.14Å; M128-Q136 PolarHBondContact O-NE2 2.84Å; M128-Q136 VanDerWaalsContact O-NE2 3.13Å |
| 129 | E | 85.6 | Confident | 84.1 | Confident | 137 Ų | 137 | 73 Ų | 73 | 64% | 0.64 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -89.9 | -33.9 | -172.2 | -68 | 171.7 | -160.6 | 0 | 0 | 113 | R125 | R125-E129 VanDerWaalsContact O-CB 3.3Å; R125-E129 WeakPolarHBondContact O-CB 3.44Å; R125-E129 WeakPolarHBondContact O-CG 3.45Å; R125-E129 PolarHBondContact O-N 3.49Å |
| 130 | N | 83.7 | Confident | 84.1 | Confident | 97 Ų | 97 | 73.1 Ų | 73.1 | 52% | 0.519 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -115 | -4.9 | -168.8 | -66.1 | -44.1 | 0 | 0 | 0 | 115.9 | L11 Q126 | L11-N130 HydrophobicContact CD1-CB 4.49Å; L11-N130 HydrophobicContact CD2-CB 3.71Å; Q126-N130 WeakPolarHBondContact O-CB 3.42Å; Q126-N130 PolarHBondContact O-N 2.91Å; Q126-N130 VanDerWaalsContact O-N 3.16Å; Q126-N130 PolarHBondContact OE1-ND2 3.48Å |
| 131 | L | 84.4 | Confident | 84.1 | Confident | 17 Ų | 17 | 70 Ų | 70 | 9% | 0.089 | 36% | 0.361 | C | S | . | . | S | Bend | trans | -112.5 | 148.5 | 176.9 | -68.3 | 166.6 | 0 | 0 | 0 | 112.3 | L7 W8 L11 I127 V135 Q136 I139 | L7-L131 HydrophobicContact CB-CD2 3.91Å; W8-L131 HydrophobicContact CB-CD1 4.44Å; L11-L131 HydrophobicContact CD1-CD1 3.88Å; L11-L131 HydrophobicContact CD1-CG 3.98Å; L11-L131 HydrophobicContact CD2-CD2 4.37Å; L11-L131 HydrophobicContact CD2-CG 4.41Å; L11-L131 HydrophobicContact CG-CG 4.45Å; I127-L131 HydrophobicContact CG1-CD1 4.35Å; I127-L131 HydrophobicContact CG2-CD1 4.44Å; L131-V135 HydrophobicContact CD2-CG1 4.13Å; L131-Q136 HydrophobicContact CB-CG 4.07Å; L131-Q136 PolarHBondContact O-NE2 2.78Å; L131-I139 HydrophobicContact CD1-CD1 3.52Å |
| 132 | N | 83.2 | Confident | 84 | Confident | 110 Ų | 110 | 67.3 Ų | 67.3 | 59% | 0.588 | 35% | 0.348 | S | S | * | . | trans | -65.7 | 147 | 177.3 | -70.5 | -20.5 | 0 | 0 | 0 | 111.7 | D134 V135 Q136 | N132-D134 VanDerWaalsContact C-N 3.26Å; N132-D134 PolarHBondContact O-N 3.5Å; N132-D134 VanDerWaalsContact O-N 3.15Å; N132-V135 HydrophobicContact CB-CG2 4.12Å; N132-V135 WeakPolarHBondContact O-CA 2.92Å; N132-V135 WeakPolarHBondContact O-CB 3.41Å; N132-V135 PolarHBondContact O-N 2.89Å; N132-Q136 WeakPolarHBondContact O-CG 3.14Å; N132-Q136 PolarHBondContact O-N 2.84Å | ||
| 133 | P | 83.4 | Confident | 83.7 | Confident | 90 Ų | 90 | 64.2 Ų | 64.2 | 58% | 0.584 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -55.5 | -33.9 | -177.8 | -28.7 | 36.4 | 0 | 0 | 0 | 115.3 | Q136 T137 | P133-Q136 PolarHBondContact O-N 2.7Å; P133-T137 WeakPolarHBondContact O-CB 3.32Å; P133-T137 PolarHBondContact O-N 3.33Å; P133-T137 PolarHBondContact O-OG1 2.78Å |
| 134 | D | 81.6 | Confident | 83.5 | Confident | 132 Ų | 132 | 68.9 Ų | 68.9 | 71% | 0.706 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -65.5 | -44.3 | 176.1 | -50.3 | -60.2 | 0 | 0 | 0 | 111 | N132 T137 G138 | N132-D134 VanDerWaalsContact C-N 3.26Å; N132-D134 PolarHBondContact O-N 3.5Å; N132-D134 VanDerWaalsContact O-N 3.15Å; D134-T137 WeakPolarHBondContact O-CA 3.48Å; D134-T137 WeakPolarHBondContact O-CB 3.47Å; D134-T137 PolarHBondContact O-N 2.92Å; D134-T137 VanDerWaalsContact O-N 3.09Å; D134-G138 PolarHBondContact O-N 3.04Å |
| 135 | V | 83.7 | Confident | 83 | Confident | 14 Ų | 14 | 71 Ų | 71 | 9% | 0.085 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 177.5 | -176.3 | 0 | 0 | 0 | 0 | 110.7 | D4 L7 L131 N132 T137 G138 I139 | D4-V135 HydrophobicContact CB-CG1 3.75Å; L7-V135 HydrophobicContact CB-CG1 4.24Å; L7-V135 HydrophobicContact CD2-CG1 4.21Å; L7-V135 HydrophobicContact CD2-CG2 4.14Å; L131-V135 HydrophobicContact CD2-CG1 4.13Å; N132-V135 HydrophobicContact CB-CG2 4.12Å; N132-V135 WeakPolarHBondContact O-CA 2.92Å; N132-V135 WeakPolarHBondContact O-CB 3.41Å; N132-V135 PolarHBondContact O-N 2.89Å; V135-T137 PolarHBondContact O-N 3.39Å; V135-G138 PolarHBondContact O-N 2.75Å; V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 WeakPolarHBondContact O-CB 3.48Å; V135-I139 VanDerWaalsContact O-CG1 3.29Å; V135-I139 WeakPolarHBondContact O-CG1 3.39Å; V135-I139 PolarHBondContact O-N 3.46Å |
| 136 | Q | 82.3 | Confident | 82.4 | Confident | 52 Ų | 52 | 64.8 Ų | 64.8 | 24% | 0.243 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.7 | -36.3 | 170.6 | -64.7 | -176.3 | 30.9 | 0 | 0 | 111.7 | I127 M128 L131 N132 P133 M140 | I127-Q136 HydrophobicContact CG2-CG 4.14Å; I127-Q136 WeakPolarHBondContact O-CG 3.3Å; I127-Q136 PolarHBondContact O-NE2 2.89Å; M128-Q136 PolarHBondContact O-NE2 2.84Å; M128-Q136 VanDerWaalsContact O-NE2 3.13Å; L131-Q136 HydrophobicContact CB-CG 4.07Å; L131-Q136 PolarHBondContact O-NE2 2.78Å; N132-Q136 WeakPolarHBondContact O-CG 3.14Å; N132-Q136 PolarHBondContact O-N 2.84Å; P133-Q136 PolarHBondContact O-N 2.7Å; Q136-M140 VanDerWaalsContact O-CB 3.3Å; Q136-M140 WeakPolarHBondContact O-CB 3.41Å; Q136-M140 PolarHBondContact O-N 3.47Å |
| 137 | T | 85.2 | Confident | 81.8 | Confident | 89 Ų | 89 | 65.6 Ų | 65.6 | 55% | 0.546 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -72.2 | -39.5 | 178.2 | -56.3 | 0 | 0 | 0 | 0 | 111.8 | P133 D134 V135 M140 T141 | P133-T137 WeakPolarHBondContact O-CB 3.32Å; P133-T137 PolarHBondContact O-N 3.33Å; P133-T137 PolarHBondContact O-OG1 2.78Å; D134-T137 WeakPolarHBondContact O-CA 3.48Å; D134-T137 WeakPolarHBondContact O-CB 3.47Å; D134-T137 PolarHBondContact O-N 2.92Å; D134-T137 VanDerWaalsContact O-N 3.09Å; V135-T137 PolarHBondContact O-N 3.39Å; T137-M140 PolarHBondContact O-N 2.82Å; T137-T141 WeakPolarHBondContact O-CB 3.17Å; T137-T141 PolarHBondContact O-N 2.77Å; T137-T141 PolarHBondContact O-OG1 3.41Å |
| 138 | G | 84.9 | Confident | 81 | Confident | 16 Ų | 16 | 71.2 Ų | 71.2 | 17% | 0.165 | 38% | 0.38 | C | S | . | . | H | α-helix | trans | -59.7 | -52.5 | 170.3 | 0 | 0 | 0 | 0 | 0 | 112 | D134 V135 M140 T141 C142 | D134-G138 PolarHBondContact O-N 3.04Å; V135-G138 PolarHBondContact O-N 2.75Å; G138-M140 VanDerWaalsContact C-N 3.34Å; G138-M140 PolarHBondContact O-N 2.84Å; G138-T141 WeakPolarHBondContact O-CA 3.36Å; G138-T141 WeakPolarHBondContact O-CB 3.36Å; G138-T141 PolarHBondContact O-N 2.92Å; G138-C142 PolarHBondContact O-N 2.83Å; G138-C142 PolarHBondContact O-SG 2.76Å; G138-C142 VanDerWaalsContact O-SG 3.35Å |
| 139 | I | 84.5 | Confident | 80.1 | Confident | 3 Ų | 3 | 68.1 Ų | 68.1 | 2% | 0.015 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -54.3 | -46.5 | 175.2 | -74.2 | 166.9 | 0 | 0 | 0 | 111.9 | D4 W8 L111 I127 L131 V135 T141 C142 I143 | D4-I139 HydrophobicContact CB-CG1 4.05Å; W8-I139 HydrophobicContact CB-CD1 3.97Å; L111-I139 HydrophobicContact CD1-CG2 4.26Å; L111-I139 HydrophobicContact CD2-CG2 3.92Å; I127-I139 HydrophobicContact CD1-CG2 4.45Å; L131-I139 HydrophobicContact CD1-CD1 3.52Å; V135-I139 HydrophobicContact CG1-CD1 4.01Å; V135-I139 WeakPolarHBondContact O-CB 3.48Å; V135-I139 VanDerWaalsContact O-CG1 3.29Å; V135-I139 WeakPolarHBondContact O-CG1 3.39Å; V135-I139 PolarHBondContact O-N 3.46Å; I139-T141 VanDerWaalsContact C-N 3.31Å; I139-T141 PolarHBondContact O-N 2.82Å; I139-C142 PolarHBondContact O-N 3.28Å; I139-I143 HydrophobicContact CG2-CD1 3.96Å; I139-I143 WeakPolarHBondContact O-CG1 3.3Å; I139-I143 PolarHBondContact O-N 3.16Å |
| 140 | M | 83.3 | Confident | 78.9 | Confident | 108 Ų | 108 | 65.4 Ų | 65.4 | 53% | 0.532 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -61.7 | -38.4 | 176.6 | -176.8 | 60.4 | 61.5 | 0 | 0 | 112.3 | Q136 T137 G138 K144 | Q136-M140 VanDerWaalsContact O-CB 3.3Å; Q136-M140 WeakPolarHBondContact O-CB 3.41Å; Q136-M140 PolarHBondContact O-N 3.47Å; T137-M140 PolarHBondContact O-N 2.82Å; G138-M140 VanDerWaalsContact C-N 3.34Å; G138-M140 PolarHBondContact O-N 2.84Å; M140-K144 WeakPolarHBondContact O-CG 3.48Å; M140-K144 PolarHBondContact O-N 3.24Å |
| 141 | T | 84.9 | Confident | 77.9 | Confident | 68 Ų | 68 | 64.7 Ų | 64.7 | 42% | 0.417 | 36% | 0.363 | S | S | . | . | H | α-helix | trans | -67.3 | -44.2 | 176.6 | -55.4 | 0 | 0 | 0 | 0 | 110.8 | T137 G138 I139 I143 K144 N145 | T137-T141 WeakPolarHBondContact O-CB 3.17Å; T137-T141 PolarHBondContact O-N 2.77Å; T137-T141 PolarHBondContact O-OG1 3.41Å; G138-T141 WeakPolarHBondContact O-CA 3.36Å; G138-T141 WeakPolarHBondContact O-CB 3.36Å; G138-T141 PolarHBondContact O-N 2.92Å; I139-T141 VanDerWaalsContact C-N 3.31Å; I139-T141 PolarHBondContact O-N 2.82Å; T141-I143 PolarHBondContact O-N 3.37Å; T141-K144 PolarHBondContact O-N 2.83Å; T141-N145 PolarHBondContact O-N 3.01Å; T141-N145 PolarHBondContact O-OD1 3.24Å |
| 142 | C | 80.9 | Confident | 77 | Confident | 31 Ų | 31 | 64.4 Ų | 64.4 | 21% | 0.209 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -59 | -44.1 | 175.4 | -68.7 | 0 | 0 | 0 | 0 | 112.7 | L5 L108 G138 I139 K144 N145 V146 | L5-C142 HydrophobicContact CD2-CB 4.43Å; L108-C142 HydrophobicContact CD1-CB 3.68Å; G138-C142 PolarHBondContact O-N 2.83Å; G138-C142 PolarHBondContact O-SG 2.76Å; G138-C142 VanDerWaalsContact O-SG 3.35Å; I139-C142 PolarHBondContact O-N 3.28Å; C142-K144 PolarHBondContact O-N 2.7Å; C142-N145 PolarHBondContact O-N 2.68Å; C142-V146 PolarHBondContact O-N 2.93Å |
| 143 | I | 80.3 | Confident | 76.4 | Confident | 22 Ų | 22 | 59.8 Ų | 59.8 | 11% | 0.113 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -61 | -43.1 | 176.8 | -67.2 | 160.2 | 0 | 0 | 0 | 111.1 | L111 V115 I139 T141 V146 T147 | L111-I143 HydrophobicContact CD1-CD1 4.36Å; L111-I143 HydrophobicContact CD2-CD1 4.11Å; L111-I143 HydrophobicContact CD2-CG1 3.78Å; L111-I143 HydrophobicContact CG-CD1 4.23Å; L111-I143 HydrophobicContact CG-CG1 4.05Å; V115-I143 HydrophobicContact CG2-CD1 3.99Å; I139-I143 HydrophobicContact CG2-CD1 3.96Å; I139-I143 WeakPolarHBondContact O-CG1 3.3Å; I139-I143 PolarHBondContact O-N 3.16Å; T141-I143 PolarHBondContact O-N 3.37Å; I143-V146 PolarHBondContact O-N 3.47Å; I143-T147 HydrophobicContact CG2-CG2 4.33Å; I143-T147 WeakPolarHBondContact O-CB 3.46Å; I143-T147 WeakPolarHBondContact O-CG2 3.03Å; I143-T147 PolarHBondContact O-N 2.75Å; I143-T147 PolarHBondContact O-OG1 3.33Å |
| 144 | K | 79.5 | Confident | 75.9 | Confident | 98 Ų | 98 | 56 Ų | 56 | 43% | 0.426 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -63.8 | -45.6 | 177.1 | -73.5 | -173.5 | 172.3 | -164.3 | 0 | 112.6 | M140 T141 C142 V146 T147 E148 | M140-K144 WeakPolarHBondContact O-CG 3.48Å; M140-K144 PolarHBondContact O-N 3.24Å; T141-K144 PolarHBondContact O-N 2.83Å; C142-K144 PolarHBondContact O-N 2.7Å; K144-V146 PolarHBondContact O-N 3Å; K144-T147 PolarHBondContact O-N 2.74Å; K144-E148 HydrophobicContact CB-CG 4.48Å; K144-E148 WeakPolarHBondContact CG-OE1 3.38Å; K144-E148 WeakPolarHBondContact O-CB 3.24Å; K144-E148 PolarHBondContact O-N 2.72Å |
| 145 | N | 75.3 | Confident | 75.4 | Confident | 103 Ų | 103 | 51.1 Ų | 51.1 | 55% | 0.551 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -57.8 | -24.7 | -179.6 | -69.8 | -9.6 | 0 | 0 | 0 | 113.2 | T141 C142 C149 | T141-N145 PolarHBondContact O-N 3.01Å; T141-N145 PolarHBondContact O-OD1 3.24Å; C142-N145 PolarHBondContact O-N 2.68Å; N145-C149 WeakPolarHBondContact O-CB 2.95Å |
| 146 | V | 72.4 | Confident | 74.9 | Confident | 6 Ų | 6 | 54.5 Ų | 54.5 | 4% | 0.036 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -98.7 | -32.7 | 177.6 | 165.1 | 0 | 0 | 0 | 0 | 113.6 | L108 F109 C112 C142 I143 K144 I153 | L108-V146 HydrophobicContact CD1-CG2 4.35Å; L108-V146 HydrophobicContact CD2-CG2 3.55Å; L108-V146 HydrophobicContact CG-CG2 3.81Å; F109-V146 HydrophobicContact CE1-CG1 4.39Å; C112-V146 HydrophobicContact CB-CG1 4.47Å; C142-V146 PolarHBondContact O-N 2.93Å; I143-V146 PolarHBondContact O-N 3.47Å; K144-V146 PolarHBondContact O-N 3Å; V146-I153 HydrophobicContact CG1-CD1 3.37Å; V146-I153 HydrophobicContact CG1-CG1 4.14Å |
| 147 | T | 70.6 | Confident | 74.3 | Confident | 59 Ų | 59 | 58.5 Ų | 58.5 | 36% | 0.362 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -89.6 | -29.1 | -178.1 | 54.1 | 0 | 0 | 0 | 0 | 114.5 | I143 K144 | I143-T147 HydrophobicContact CG2-CG2 4.33Å; I143-T147 WeakPolarHBondContact O-CB 3.46Å; I143-T147 WeakPolarHBondContact O-CG2 3.03Å; I143-T147 PolarHBondContact O-N 2.75Å; I143-T147 PolarHBondContact O-OG1 3.33Å; K144-T147 PolarHBondContact O-N 2.74Å |
| 148 | E | 68.7 | Low | 73.3 | Confident | 134 Ų | 134 | 59.8 Ų | 59.8 | 63% | 0.626 | 32% | 0.319 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90 | -16.4 | 177.9 | -60.5 | -178.9 | -169.1 | 0 | 0 | 112.2 | K144 P150 | K144-E148 HydrophobicContact CB-CG 4.48Å; K144-E148 WeakPolarHBondContact CG-OE1 3.38Å; K144-E148 WeakPolarHBondContact O-CB 3.24Å; K144-E148 PolarHBondContact O-N 2.72Å; E148-P150 WeakPolarHBondContact O-CD 3.4Å |
| 149 | C | 63.4 | Low | 72.3 | Confident | 45 Ų | 45 | 60.9 Ų | 60.9 | 30% | 0.304 | 32% | 0.321 | S | S | . | . | trans | -92.6 | 112.3 | -175.5 | -167.2 | 0 | 0 | 0 | 0 | 113.1 | N145 T151 S152 | N145-C149 WeakPolarHBondContact O-CB 2.95Å; C149-T151 PolarHBondContact O-N 2.89Å; C149-T151 PolarHBondContact SG-OG1 3Å; C149-S152 WeakPolarHBondContact O-CB 3.41Å; C149-S152 PolarHBondContact O-N 2.82Å | ||
| 150 | P | 60.2 | Low | 71.4 | Confident | 80 Ų | 80 | 71 Ų | 71 | 52% | 0.519 | 36% | 0.359 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.4 | -4.7 | -174.2 | 31.8 | -37.1 | 0 | 0 | 0 | 114.7 | E148 | E148-P150 WeakPolarHBondContact O-CD 3.4Š|
| 151 | T | 63.6 | Low | 70.3 | Confident | 81 Ų | 81 | 70.2 Ų | 70.2 | 50% | 0.497 | 36% | 0.364 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87 | -9.8 | 168.8 | 58 | 0 | 0 | 0 | 0 | 112.6 | T81 C149 | T81-T151 CarbonylContact C-O 3.57Å; T81-T151 PolarHBondContact OG1-O 3.26Å; C149-T151 PolarHBondContact O-N 2.89Å; C149-T151 PolarHBondContact SG-OG1 3Å |
| 152 | S | 64.8 | Low | 69.2 | Low | 12 Ų | 12 | 68.3 Ų | 68.3 | 8% | 0.084 | 35% | 0.354 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -93.8 | -50.4 | -178.2 | -63.7 | 0 | 0 | 0 | 0 | 113 | T81 C149 | T81-S152 PolarHBondContact N-O 2.77Å; T81-S152 PolarHBondContact OG1-O 3.5Å; C149-S152 WeakPolarHBondContact O-CB 3.41Å; C149-S152 PolarHBondContact O-N 2.82Å |
| 153 | I | 70.2 | Confident | 68.7 | Low | 13 Ų | 13 | 69.1 Ų | 69.1 | 7% | 0.067 | 36% | 0.356 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -141.2 | 136.4 | -178.6 | -56.9 | 166 | 0 | 0 | 0 | 109.6 | Y72 E78 V79 F109 V146 | Y72-I153 HydrophobicContact CE1-CD1 3.78Å; Y72-I153 HydrophobicContact CE1-CG1 4.46Å; E78-I153 HydrophobicContact CB-CG2 3.66Å; E78-I153 HydrophobicContact CG-CG2 3.81Å; E78-I153 WeakPolarHBondContact OE2-CG2 3.47Å; V79-I153 WeakPolarHBondContact O-CA 3.18Å; F109-I153 HydrophobicContact CE1-CG1 4.45Å; V146-I153 HydrophobicContact CG1-CD1 3.37Å; V146-I153 HydrophobicContact CG1-CG1 4.14Å |
| 154 | V | 73.3 | Confident | 68.2 | Low | 10 Ų | 10 | 70.6 Ų | 70.6 | 6% | 0.061 | 37% | 0.372 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.2 | 115.2 | 178.3 | -163.5 | 0 | 0 | 0 | 0 | 110.9 | V79 T81 K158 L159 T169 | V79-V154 PolarHBondContact N-O 2.88Å; V79-V154 PolarHBondContact O-N 3.14Å; T81-V154 HydrophobicContact CG2-CG2 3.74Å; V154-K158 HydrophobicContact CG1-CB 4.26Å; V154-L159 HydrophobicContact CB-CD1 4.4Å; V154-L159 HydrophobicContact CG1-CD1 4.08Å; V154-L159 HydrophobicContact CG1-CD2 4.13Å; V154-L159 HydrophobicContact CG1-CG 3.69Å; V154-T169 HydrophobicContact CG2-CG2 4.06Å |
| 155 | S | 71.1 | Confident | 67.4 | Low | 30 Ų | 30 | 70 Ų | 70 | 21% | 0.21 | 37% | 0.373 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -71.6 | 144 | 174.3 | 56.3 | 0 | 0 | 0 | 0 | 112.1 | E157 K158 L159 | S155-E157 PolarHBondContact O-N 3.46Å; S155-E157 VanDerWaalsContact O-N 3.09Å; S155-K158 PolarHBondContact O-N 3.22Å; S155-K158 WeakPolarHBondContact OG-CG 3.4Å; S155-L159 PolarHBondContact O-N 2.85Å |
| 156 | F | 73.8 | Confident | 67.1 | Low | 85 Ų | 85 | 67.3 Ų | 67.3 | 37% | 0.373 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -55.5 | -30.7 | -179.9 | -65.5 | -36 | 0 | 0 | 0 | 114.2 | L73 Q77 V79 K158 L159 R160 | L73-F156 HydrophobicContact CD1-CZ 4.15Å; Q77-F156 HydrophobicContact CB-CD2 3.65Å; Q77-F156 HydrophobicContact CB-CE2 3.94Å; Q77-F156 HydrophobicContact CG-CD2 4.28Å; Q77-F156 HydrophobicContact CG-CE2 4.3Å; Q77-F156 WeakPolarHBondContact O-CD2 3.35Å; Q77-F156 WeakPolarHBondContact O-CG 3.49Å; Q77-F156 PolarHBondContact O-N 3.33Å; V79-F156 HydrophobicContact CG2-CD1 4.21Å; V79-F156 HydrophobicContact CG2-CE1 3.56Å; V79-F156 HydrophobicContact CG2-CZ 4.42Å; F156-K158 PolarHBondContact O-N 2.95Å; F156-L159 HydrophobicContact CD1-CD1 4.07Å; F156-L159 CarbonylContact O-C 3.59Å; F156-L159 PolarHBondContact O-N 3.44Å; F156-R160 WeakPolarHBondContact O-CB 3.43Å; F156-R160 PolarHBondContact O-N 2.84Å |
| 157 | E | 69.4 | Low | 67.1 | Low | 136 Ų | 136 | 73 Ų | 73 | 64% | 0.636 | 39% | 0.388 | S | S | * | . | H | α-helix | trans | -66.4 | -34.3 | 177.7 | -169 | 62.7 | -169.7 | 0 | 0 | 113.2 | S155 R160 S161 | S155-E157 PolarHBondContact O-N 3.46Å; S155-E157 VanDerWaalsContact O-N 3.09Å; E157-R160 PolarHBondContact O-N 2.76Å; E157-S161 PolarHBondContact O-OG 2.84Å |
| 158 | K | 65.2 | Low | 67.1 | Low | 115 Ų | 115 | 79.1 Ų | 79.1 | 50% | 0.5 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -71.4 | -37.8 | 172.3 | -71.2 | 177.5 | -178 | 173.4 | 0 | 111.2 | V154 S155 F156 R160 S161 | V154-K158 HydrophobicContact CG1-CB 4.26Å; S155-K158 PolarHBondContact O-N 3.22Å; S155-K158 WeakPolarHBondContact OG-CG 3.4Å; F156-K158 PolarHBondContact O-N 2.95Å; K158-R160 PolarHBondContact O-N 3.37Å; K158-S161 PolarHBondContact O-N 2.77Å; K158-S161 PolarHBondContact O-OG 3.48Å |
| 159 | L | 63.4 | Low | 67.1 | Low | 39 Ų | 39 | 74.2 Ų | 74.2 | 20% | 0.204 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -66.8 | -21.4 | 173.9 | -74.6 | 160.1 | 0 | 0 | 0 | 112.5 | V79 V154 S155 F156 I166 | V79-L159 HydrophobicContact CG2-CD1 4.18Å; V154-L159 HydrophobicContact CB-CD1 4.4Å; V154-L159 HydrophobicContact CG1-CD1 4.08Å; V154-L159 HydrophobicContact CG1-CD2 4.13Å; V154-L159 HydrophobicContact CG1-CG 3.69Å; S155-L159 PolarHBondContact O-N 2.85Å; F156-L159 HydrophobicContact CD1-CD1 4.07Å; F156-L159 CarbonylContact O-C 3.59Å; F156-L159 PolarHBondContact O-N 3.44Å; L159-I166 HydrophobicContact CD2-CG1 4.13Å; L159-I166 WeakPolarHBondContact O-CD1 3.27Å; L159-I166 VanDerWaalsContact O-CG1 3.26Å; L159-I166 WeakPolarHBondContact O-CG1 3.39Å |
| 160 | R | 65.3 | Low | 67.6 | Low | 215 Ų | 215 | 78.6 Ų | 78.6 | 81% | 0.811 | 40% | 0.398 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -88.1 | -6.8 | -178 | -149.3 | 176.8 | -165.3 | 166.1 | 7.1 | 114.7 | F156 E157 K158 | F156-R160 WeakPolarHBondContact O-CB 3.43Å; F156-R160 PolarHBondContact O-N 2.84Å; E157-R160 PolarHBondContact O-N 2.76Å; K158-R160 PolarHBondContact O-N 3.37Å |
| 161 | S | 59.3 | Low | 68.5 | Low | 92 Ų | 92 | 83.7 Ų | 83.7 | 64% | 0.643 | 41% | 0.407 | S | S | * | . | S | Bend | trans | -116.5 | -4.1 | -165 | 35.7 | 0 | 0 | 0 | 0 | 115.8 | E157 K158 | E157-S161 PolarHBondContact O-OG 2.84Å; K158-S161 PolarHBondContact O-N 2.77Å; K158-S161 PolarHBondContact O-OG 3.48Å |
| 162 | S | 62.9 | Low | 68.9 | Low | 29 Ų | 29 | 82.1 Ų | 82.1 | 20% | 0.203 | 40% | 0.399 | C | S | . | . | trans | -160.4 | 108.1 | 178.2 | 176.8 | 0 | 0 | 0 | 0 | 113.2 | A164 D165 I166 | S162-A164 PolarHBondContact O-N 3.24Å; S162-D165 WeakPolarHBondContact CB-OD2 3.35Å; S162-D165 PolarHBondContact O-N 2.73Å; S162-D165 VanDerWaalsContact O-N 3.09Å; S162-D165 PolarHBondContact OG-N 2.63Å; S162-D165 PolarHBondContact OG-OD2 2.7Å; S162-I166 WeakPolarHBondContact O-CG1 3.49Å; S162-I166 PolarHBondContact O-N 3.22Å; S162-I166 VanDerWaalsContact O-N 3.15Å | ||
| 163 | D | 69.7 | Low | 69.2 | Low | 47 Ų | 47 | 84.4 Ų | 84.4 | 25% | 0.251 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -54.5 | -35.4 | 176.7 | -68.3 | -4 | 0 | 0 | 0 | 112 | I166 L167 | D163-I166 PolarHBondContact O-N 3.29Å; D163-L167 WeakPolarHBondContact O-CG 3.26Å; D163-L167 PolarHBondContact O-N 2.77Å |
| 164 | A | 70.8 | Confident | 69.5 | Low | 53 Ų | 53 | 87.9 Ų | 87.9 | 44% | 0.438 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.4 | -36.7 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | S162 L167 R168 | S162-A164 PolarHBondContact O-N 3.24Å; A164-L167 PolarHBondContact O-N 2.82Å; A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 PolarHBondContact O-N 3.02Å |
| 165 | D | 61.9 | Low | 69.7 | Low | 86 Ų | 86 | 91.3 Ų | 91.3 | 46% | 0.46 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -78.6 | -29.3 | 178.2 | -66.4 | -69 | 0 | 0 | 0 | 111.9 | S162 T169 | S162-D165 WeakPolarHBondContact CB-OD2 3.35Å; S162-D165 PolarHBondContact O-N 2.73Å; S162-D165 VanDerWaalsContact O-N 3.09Å; S162-D165 PolarHBondContact OG-N 2.63Å; S162-D165 PolarHBondContact OG-OD2 2.7Å; D165-T169 WeakPolarHBondContact O-CB 3.4Å; D165-T169 WeakPolarHBondContact O-CG2 3.12Å; D165-T169 PolarHBondContact O-N 2.99Å; D165-T169 PolarHBondContact O-OG1 2.96Å |
| 166 | I | 68.3 | Low | 69.7 | Low | 47 Ų | 47 | 92 Ų | 92 | 24% | 0.241 | 45% | 0.451 | C | S | . | . | H | α-helix | trans | -59.4 | -54.3 | 165.7 | -57 | 168.7 | 0 | 0 | 0 | 109.2 | L159 S162 D163 R168 T169 F170 | L159-I166 HydrophobicContact CD2-CG1 4.13Å; L159-I166 WeakPolarHBondContact O-CD1 3.27Å; L159-I166 VanDerWaalsContact O-CG1 3.26Å; L159-I166 WeakPolarHBondContact O-CG1 3.39Å; S162-I166 WeakPolarHBondContact O-CG1 3.49Å; S162-I166 PolarHBondContact O-N 3.22Å; S162-I166 VanDerWaalsContact O-N 3.15Å; D163-I166 PolarHBondContact O-N 3.29Å; I166-R168 VanDerWaalsContact C-N 3.29Å; I166-R168 PolarHBondContact O-N 2.89Å; I166-T169 PolarHBondContact O-N 2.87Å; I166-T169 PolarHBondContact O-OG1 3.49Å; I166-F170 HydrophobicContact CG2-CD2 3.61Å; I166-F170 HydrophobicContact CG2-CE2 3.78Å; I166-F170 WeakPolarHBondContact O-CB 3.49Å; I166-F170 WeakPolarHBondContact O-CD2 3.23Å; I166-F170 PolarHBondContact O-N 3.47Å |
| 167 | L | 72.8 | Confident | 69.7 | Low | 125 Ų | 125 | 91.6 Ų | 91.6 | 65% | 0.654 | 45% | 0.453 | S | S | * | . | H | α-helix | trans | -61.8 | -35.7 | -178.2 | -72.1 | 170.2 | 0 | 0 | 0 | 112.6 | D163 A164 R171 | D163-L167 WeakPolarHBondContact O-CG 3.26Å; D163-L167 PolarHBondContact O-N 2.77Å; A164-L167 PolarHBondContact O-N 2.82Å; L167-R171 WeakPolarHBondContact O-CB 3.22Å; L167-R171 PolarHBondContact O-N 2.85Å |
| 168 | R | 70.9 | Confident | 69.8 | Low | 188 Ų | 188 | 90.5 Ų | 90.5 | 71% | 0.709 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -68.8 | -42.3 | 175.6 | -172.1 | 179.5 | -179.4 | -167.5 | -0.3 | 112.6 | A164 I166 S172 | A164-R168 WeakPolarHBondContact O-CB 3.38Å; A164-R168 PolarHBondContact O-N 3.02Å; I166-R168 VanDerWaalsContact C-N 3.29Å; I166-R168 PolarHBondContact O-N 2.89Å; R168-S172 PolarHBondContact O-N 3.05Å |
| 169 | T | 69.1 | Low | 70.2 | Confident | 31 Ų | 31 | 89.2 Ų | 89.2 | 19% | 0.19 | 45% | 0.446 | C | S | . | . | H | α-helix | trans | -71.1 | -41.5 | 178.3 | 48.9 | 0 | 0 | 0 | 0 | 111.6 | V154 D165 I166 R171 S172 V173 | V154-T169 HydrophobicContact CG2-CG2 4.06Å; D165-T169 WeakPolarHBondContact O-CB 3.4Å; D165-T169 WeakPolarHBondContact O-CG2 3.12Å; D165-T169 PolarHBondContact O-N 2.99Å; D165-T169 PolarHBondContact O-OG1 2.96Å; I166-T169 PolarHBondContact O-N 2.87Å; I166-T169 PolarHBondContact O-OG1 3.49Å; T169-R171 PolarHBondContact O-N 3.32Å; T169-S172 WeakPolarHBondContact O-CB 3.24Å; T169-S172 PolarHBondContact O-N 3.3Å; T169-V173 WeakPolarHBondContact O-CG2 3.48Å; T169-V173 PolarHBondContact O-N 3.43Å |
| 170 | F | 73.2 | Confident | 70.7 | Confident | 137 Ų | 137 | 89 Ų | 89 | 60% | 0.601 | 45% | 0.445 | S | S | * | . | H | α-helix | trans | -56.7 | -48.1 | 170.9 | -96.3 | -85.5 | 0 | 0 | 0 | 112.4 | I166 S172 V173 V174 | I166-F170 HydrophobicContact CG2-CD2 3.61Å; I166-F170 HydrophobicContact CG2-CE2 3.78Å; I166-F170 WeakPolarHBondContact O-CB 3.49Å; I166-F170 WeakPolarHBondContact O-CD2 3.23Å; I166-F170 PolarHBondContact O-N 3.47Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 2.77Å; F170-V173 PolarHBondContact O-N 2.75Å; F170-V173 VanDerWaalsContact O-N 3.16Å; F170-V174 WeakPolarHBondContact O-CG2 3.15Å; F170-V174 PolarHBondContact O-N 3.41Å |
| 171 | R | 79.7 | Confident | 71 | Confident | 187 Ų | 187 | 85.1 Ų | 85.1 | 71% | 0.706 | 43% | 0.432 | S | S | * | . | H | α-helix | trans | -59.9 | -42.5 | 176.7 | -170.7 | 176 | -65.2 | -169.8 | -1.7 | 111.7 | L167 T169 V173 V174 N175 | L167-R171 WeakPolarHBondContact O-CB 3.22Å; L167-R171 PolarHBondContact O-N 2.85Å; T169-R171 PolarHBondContact O-N 3.32Å; R171-V173 VanDerWaalsContact C-N 3.3Å; R171-V173 PolarHBondContact O-N 2.87Å; R171-V174 PolarHBondContact O-N 3.24Å; R171-N175 WeakPolarHBondContact O-CB 3.37Å; R171-N175 PolarHBondContact O-N 3.04Å; R171-N175 PolarHBondContact O-OD1 2.81Å |
| 172 | S | 72.2 | Confident | 71.7 | Confident | 48 Ų | 48 | 85.3 Ų | 85.3 | 34% | 0.336 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -61.7 | -34.8 | 176.4 | -164.7 | 0 | 0 | 0 | 0 | 113.3 | R168 T169 F170 Q176 | R168-S172 PolarHBondContact O-N 3.05Å; T169-S172 WeakPolarHBondContact O-CB 3.24Å; T169-S172 PolarHBondContact O-N 3.3Å; F170-S172 VanDerWaalsContact C-N 3.32Å; F170-S172 PolarHBondContact O-N 2.77Å; S172-Q176 VanDerWaalsContact O-CG 3.32Å; S172-Q176 WeakPolarHBondContact O-CG 3.37Å; S172-Q176 PolarHBondContact O-N 2.8Å; S172-Q176 PolarHBondContact O-NE2 2.9Å |
| 173 | V | 71.3 | Confident | 72.3 | Confident | 60 Ų | 60 | 87.7 Ų | 87.7 | 36% | 0.364 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -77.9 | -39.2 | 178.1 | 174 | 0 | 0 | 0 | 0 | 111.5 | T81 T169 F170 R171 Q176 L177 | T81-V173 HydrophobicContact CG2-CG2 3.89Å; T169-V173 WeakPolarHBondContact O-CG2 3.48Å; T169-V173 PolarHBondContact O-N 3.43Å; F170-V173 PolarHBondContact O-N 2.75Å; F170-V173 VanDerWaalsContact O-N 3.16Å; R171-V173 VanDerWaalsContact C-N 3.3Å; R171-V173 PolarHBondContact O-N 2.87Å; V173-Q176 PolarHBondContact O-N 3.36Å; V173-L177 WeakPolarHBondContact O-CB 3.47Å; V173-L177 PolarHBondContact O-N 3.35Å |
| 174 | V | 74.7 | Confident | 72.5 | Confident | 85 Ų | 85 | 90.6 Ų | 90.6 | 52% | 0.515 | 45% | 0.445 | S | S | . | . | H | α-helix | trans | -62 | -47.8 | 175.7 | 170.9 | 0 | 0 | 0 | 0 | 110.9 | F170 R171 Q176 L177 E178 | F170-V174 WeakPolarHBondContact O-CG2 3.15Å; F170-V174 PolarHBondContact O-N 3.41Å; R171-V174 PolarHBondContact O-N 3.24Å; V174-Q176 PolarHBondContact O-N 2.93Å; V174-L177 WeakPolarHBondContact O-CB 3.14Å; V174-L177 PolarHBondContact O-N 3.39Å; V174-L177 VanDerWaalsContact O-N 3.1Å; V174-E178 PolarHBondContact O-N 3.14Å |
| 175 | N | 77.7 | Confident | 72.5 | Confident | 82 Ų | 82 | 92.4 Ų | 92.4 | 44% | 0.439 | 45% | 0.446 | S | S | . | . | H | α-helix | trans | -58.7 | -45.5 | 176.3 | -74.7 | 51.5 | 0 | 0 | 0 | 112.1 | R171 L177 E178 D179 | R171-N175 WeakPolarHBondContact O-CB 3.37Å; R171-N175 PolarHBondContact O-N 3.04Å; R171-N175 PolarHBondContact O-OD1 2.81Å; N175-L177 PolarHBondContact O-N 2.79Å; N175-E178 WeakPolarHBondContact O-CB 3.34Å; N175-E178 PolarHBondContact O-N 2.79Å; N175-D179 PolarHBondContact O-N 3.47Å |
| 176 | Q | 72.8 | Confident | 73.3 | Confident | 44 Ų | 44 | 92.4 Ų | 92.4 | 21% | 0.206 | 45% | 0.449 | C | S | . | . | H | α-helix | trans | -64.2 | -26.1 | 176.9 | -76.4 | 174.2 | 92.3 | 0 | 0 | 113.5 | T81 R83 S172 V173 V174 I180 | T81-Q176 PolarHBondContact O-NE2 2.93Å; R83-Q176 HydrophobicContact CB-CB 4.47Å; S172-Q176 VanDerWaalsContact O-CG 3.32Å; S172-Q176 WeakPolarHBondContact O-CG 3.37Å; S172-Q176 PolarHBondContact O-N 2.8Å; S172-Q176 PolarHBondContact O-NE2 2.9Å; V173-Q176 PolarHBondContact O-N 3.36Å; V174-Q176 PolarHBondContact O-N 2.93Å; Q176-I180 WeakPolarHBondContact O-CG1 3.35Å; Q176-I180 PolarHBondContact O-N 2.81Å |
| 177 | L | 72.6 | Confident | 73.4 | Confident | 77 Ų | 77 | 95.1 Ų | 95.1 | 40% | 0.403 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -79.9 | -36.3 | 174.8 | -177.2 | 62 | 0 | 0 | 0 | 111.6 | V173 V174 N175 I180 Y181 | V173-L177 WeakPolarHBondContact O-CB 3.47Å; V173-L177 PolarHBondContact O-N 3.35Å; V174-L177 WeakPolarHBondContact O-CB 3.14Å; V174-L177 PolarHBondContact O-N 3.39Å; V174-L177 VanDerWaalsContact O-N 3.1Å; N175-L177 PolarHBondContact O-N 2.79Å; L177-I180 HydrophobicContact CD1-CD1 4.35Å; L177-I180 PolarHBondContact O-N 2.73Å; L177-Y181 HydrophobicContact CD1-CD2 4.15Å; L177-Y181 HydrophobicContact CD1-CE2 3.59Å; L177-Y181 HydrophobicContact CD2-CE2 4.11Å; L177-Y181 HydrophobicContact CG-CD2 3.99Å; L177-Y181 HydrophobicContact CG-CE2 3.6Å; L177-Y181 VanDerWaalsContact O-CD2 3.22Å; L177-Y181 WeakPolarHBondContact O-CD2 3.34Å; L177-Y181 PolarHBondContact O-N 3.45Å; L177-Y181 VanDerWaalsContact O-N 3.08Å |
| 178 | E | 72.9 | Confident | 73.3 | Confident | 113 Ų | 113 | 93.3 Ų | 93.3 | 53% | 0.528 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -60.8 | -46.1 | 170 | -169.8 | 173.1 | -174 | 0 | 0 | 110.7 | V174 N175 I180 Y181 L182 | V174-E178 PolarHBondContact O-N 3.14Å; N175-E178 WeakPolarHBondContact O-CB 3.34Å; N175-E178 PolarHBondContact O-N 2.79Å; E178-I180 VanDerWaalsContact C-N 3.33Å; E178-I180 PolarHBondContact O-N 2.73Å; E178-Y181 PolarHBondContact O-N 2.75Å; E178-L182 HydrophobicContact CG-CD1 4.14Å; E178-L182 WeakPolarHBondContact O-CB 3.5Å; E178-L182 VanDerWaalsContact O-CG 3.3Å; E178-L182 WeakPolarHBondContact O-CG 3.37Å; E178-L182 PolarHBondContact O-N 3.44Å |
| 179 | D | 73.2 | Confident | 73.5 | Confident | 88 Ų | 88 | 89.3 Ų | 89.3 | 47% | 0.471 | 44% | 0.443 | S | S | . | . | H | α-helix | trans | -57 | -41.5 | 173.6 | -67.6 | -34.7 | 0 | 0 | 0 | 112.6 | N175 E183 | N175-D179 PolarHBondContact O-N 3.47Å; D179-E183 WeakPolarHBondContact O-CB 3.49Å; D179-E183 PolarHBondContact O-N 3.47Å |
| 180 | I | 72.9 | Confident | 73.8 | Confident | 35 Ų | 35 | 93.5 Ų | 93.5 | 18% | 0.179 | 47% | 0.465 | C | S | . | . | H | α-helix | trans | -60.4 | -51.7 | 174.7 | -72.7 | 160.8 | 0 | 0 | 0 | 110.7 | R83 Q176 L177 E178 L182 E183 E184 | R83-I180 HydrophobicContact CG-CD1 3.63Å; R83-I180 HydrophobicContact CG-CG1 3.74Å; Q176-I180 WeakPolarHBondContact O-CG1 3.35Å; Q176-I180 PolarHBondContact O-N 2.81Å; L177-I180 HydrophobicContact CD1-CD1 4.35Å; L177-I180 PolarHBondContact O-N 2.73Å; E178-I180 VanDerWaalsContact C-N 3.33Å; E178-I180 PolarHBondContact O-N 2.73Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.01Å; I180-E183 PolarHBondContact O-N 3.25Å; I180-E184 PolarHBondContact O-N 2.72Å |
| 181 | Y | 71 | Confident | 74.1 | Confident | 134 Ų | 134 | 92.8 Ų | 92.8 | 53% | 0.525 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67 | -36.5 | -175.8 | -73.6 | -52.4 | 0 | 0 | 0 | 111.9 | L177 E178 E184 I185 | L177-Y181 HydrophobicContact CD1-CD2 4.15Å; L177-Y181 HydrophobicContact CD1-CE2 3.59Å; L177-Y181 HydrophobicContact CD2-CE2 4.11Å; L177-Y181 HydrophobicContact CG-CD2 3.99Å; L177-Y181 HydrophobicContact CG-CE2 3.6Å; L177-Y181 VanDerWaalsContact O-CD2 3.22Å; L177-Y181 WeakPolarHBondContact O-CD2 3.34Å; L177-Y181 PolarHBondContact O-N 3.45Å; L177-Y181 VanDerWaalsContact O-N 3.08Å; E178-Y181 PolarHBondContact O-N 2.75Å; Y181-E184 PolarHBondContact O-N 2.78Å; Y181-I185 VanDerWaalsContact O-CB 3.29Å; Y181-I185 WeakPolarHBondContact O-CB 3.23Å; Y181-I185 WeakPolarHBondContact O-CD1 3.46Å; Y181-I185 WeakPolarHBondContact O-CG1 3.4Å; Y181-I185 PolarHBondContact O-N 2.92Å |
| 182 | L | 75.1 | Confident | 73.8 | Confident | 95 Ų | 95 | 89 Ų | 89 | 50% | 0.497 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 172.9 | -71.5 | 170.8 | 0 | 0 | 0 | 111.6 | E178 I180 I185 V186 | E178-L182 HydrophobicContact CG-CD1 4.14Å; E178-L182 WeakPolarHBondContact O-CB 3.5Å; E178-L182 VanDerWaalsContact O-CG 3.3Å; E178-L182 WeakPolarHBondContact O-CG 3.37Å; E178-L182 PolarHBondContact O-N 3.44Å; I180-L182 VanDerWaalsContact C-N 3.34Å; I180-L182 PolarHBondContact O-N 3.01Å; L182-I185 PolarHBondContact O-N 3.12Å; L182-V186 WeakPolarHBondContact O-CG2 3.02Å; L182-V186 PolarHBondContact O-N 2.9Å |
| 183 | E | 74.4 | Confident | 74.1 | Confident | 80 Ų | 80 | 89 Ų | 89 | 37% | 0.374 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.2 | -40.3 | 178.5 | -162.7 | -177.6 | 157.6 | 0 | 0 | 112.5 | R83 D179 I180 V186 Q187 | R83-E183 IonicContact CZ-OE2 3.9Å; R83-E183 IonicContact NH1-OE2 3.95Å; R83-E183 PolarHBondContact NH1-OE2 3.24Å; R83-E183 IonicContact NH2-OE2 2.97Å; R83-E183 PolarHBondContact NH2-OE2 2.83Å; D179-E183 WeakPolarHBondContact O-CB 3.49Å; D179-E183 PolarHBondContact O-N 3.47Å; I180-E183 PolarHBondContact O-N 3.25Å; E183-V186 PolarHBondContact O-N 3.11Å; E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 3.41Å; E183-Q187 VanDerWaalsContact O-N 3.07Å |
| 184 | E | 74.3 | Confident | 74.5 | Confident | 107 Ų | 107 | 88.2 Ų | 88.2 | 50% | 0.5 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -68 | -38.9 | 175 | -172.4 | 167.3 | -148 | 0 | 0 | 111.9 | I180 Y181 Q187 L188 | I180-E184 PolarHBondContact O-N 2.72Å; Y181-E184 PolarHBondContact O-N 2.78Å; E184-Q187 PolarHBondContact O-N 2.76Å; E184-L188 HydrophobicContact CG-CD1 4.23Å; E184-L188 WeakPolarHBondContact O-CB 3.46Å; E184-L188 VanDerWaalsContact O-CG 3.31Å; E184-L188 WeakPolarHBondContact O-CG 3.45Å; E184-L188 PolarHBondContact O-N 2.78Å |
| 185 | I | 71.4 | Confident | 74.8 | Confident | 91 Ų | 91 | 89.1 Ų | 89.1 | 47% | 0.467 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -61.4 | -43.4 | 173.2 | -73.4 | 164.5 | 0 | 0 | 0 | 111 | Y181 L182 L188 L189 | Y181-I185 VanDerWaalsContact O-CB 3.29Å; Y181-I185 WeakPolarHBondContact O-CB 3.23Å; Y181-I185 WeakPolarHBondContact O-CD1 3.46Å; Y181-I185 WeakPolarHBondContact O-CG1 3.4Å; Y181-I185 PolarHBondContact O-N 2.92Å; L182-I185 PolarHBondContact O-N 3.12Å; I185-L188 PolarHBondContact O-N 3.13Å; I185-L189 HydrophobicContact CG2-CD1 3.96Å; I185-L189 HydrophobicContact CG2-CG 4.46Å; I185-L189 VanDerWaalsContact O-CG 3.29Å; I185-L189 WeakPolarHBondContact O-CG 3.49Å; I185-L189 PolarHBondContact O-N 3.14Å |
| 186 | V | 77.8 | Confident | 74.6 | Confident | 87 Ų | 87 | 91.4 Ų | 91.4 | 53% | 0.527 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -43.5 | 176.7 | 168.3 | 0 | 0 | 0 | 0 | 111.4 | L182 E183 L188 L189 D190 | L182-V186 WeakPolarHBondContact O-CG2 3.02Å; L182-V186 PolarHBondContact O-N 2.9Å; E183-V186 PolarHBondContact O-N 3.11Å; V186-L188 PolarHBondContact O-N 3.42Å; V186-L189 PolarHBondContact O-N 2.84Å; V186-D190 PolarHBondContact O-N 3.42Å; V186-D190 VanDerWaalsContact O-N 3.09Å |
| 187 | Q | 70.9 | Confident | 74.8 | Confident | 103 Ų | 103 | 91.9 Ų | 91.9 | 48% | 0.481 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 176.3 | -69.9 | 176.4 | 28.9 | 0 | 0 | 112.2 | E183 E184 L189 D190 E191 | E183-Q187 WeakPolarHBondContact O-CG 3.47Å; E183-Q187 PolarHBondContact O-N 3.41Å; E183-Q187 VanDerWaalsContact O-N 3.07Å; E184-Q187 PolarHBondContact O-N 2.76Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; Q187-L189 PolarHBondContact O-N 3.06Å; Q187-D190 PolarHBondContact O-N 3.38Å; Q187-E191 PolarHBondContact O-N 2.73Å |
| 188 | L | 71.5 | Confident | 75.3 | Confident | 88 Ų | 88 | 93.9 Ų | 93.9 | 46% | 0.461 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.4 | -34 | 175.6 | -72.3 | 168.6 | 0 | 0 | 0 | 112.7 | E184 I185 V186 E191 L192 | E184-L188 HydrophobicContact CG-CD1 4.23Å; E184-L188 WeakPolarHBondContact O-CB 3.46Å; E184-L188 VanDerWaalsContact O-CG 3.31Å; E184-L188 WeakPolarHBondContact O-CG 3.45Å; E184-L188 PolarHBondContact O-N 2.78Å; I185-L188 PolarHBondContact O-N 3.13Å; V186-L188 PolarHBondContact O-N 3.42Å; L188-E191 PolarHBondContact O-N 3.33Å; L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 VanDerWaalsContact O-CG 3.24Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.74Å |
| 189 | L | 73.9 | Confident | 75.5 | Confident | 103 Ų | 103 | 94.8 Ų | 94.8 | 54% | 0.539 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.3 | -40.9 | 174.5 | -72.6 | 167.6 | 0 | 0 | 0 | 112 | I185 V186 Q187 L192 A193 | I185-L189 HydrophobicContact CG2-CD1 3.96Å; I185-L189 HydrophobicContact CG2-CG 4.46Å; I185-L189 VanDerWaalsContact O-CG 3.29Å; I185-L189 WeakPolarHBondContact O-CG 3.49Å; I185-L189 PolarHBondContact O-N 3.14Å; V186-L189 PolarHBondContact O-N 2.84Å; Q187-L189 VanDerWaalsContact C-N 3.35Å; Q187-L189 PolarHBondContact O-N 3.06Å; L189-L192 PolarHBondContact O-N 3.2Å; L189-A193 WeakPolarHBondContact O-CB 3.32Å; L189-A193 PolarHBondContact O-N 2.77Å |
| 190 | D | 77.1 | Confident | 75.7 | Confident | 120 Ų | 120 | 95 Ų | 95 | 64% | 0.642 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 173.3 | -92.4 | -3.2 | 0 | 0 | 0 | 112.1 | V186 Q187 L192 A193 S194 | V186-D190 PolarHBondContact O-N 3.42Å; V186-D190 VanDerWaalsContact O-N 3.09Å; Q187-D190 PolarHBondContact O-N 3.38Å; D190-L192 PolarHBondContact O-N 3.05Å; D190-A193 PolarHBondContact O-N 2.74Å; D190-S194 PolarHBondContact O-N 2.77Å |
| 191 | E | 78.1 | Confident | 75.9 | Confident | 122 Ų | 122 | 96.4 Ų | 96.4 | 57% | 0.57 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -44.1 | 173 | -78.9 | -160.6 | 173.1 | 0 | 0 | 111.5 | Q187 L188 S194 L195 | Q187-E191 PolarHBondContact O-N 2.73Å; L188-E191 PolarHBondContact O-N 3.33Å; E191-S194 WeakPolarHBondContact O-CB 3.33Å; E191-S194 PolarHBondContact O-N 3.42Å; E191-S194 PolarHBondContact O-OG 2.82Å; E191-L195 PolarHBondContact O-N 3.11Å |
| 192 | L | 74.6 | Confident | 75.8 | Confident | 106 Ų | 106 | 95.4 Ų | 95.4 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.7 | -44.5 | 175.4 | -79.3 | 168.4 | 0 | 0 | 0 | 112.3 | L188 L189 D190 S194 L195 Q196 | L188-L192 WeakPolarHBondContact O-CB 3.41Å; L188-L192 VanDerWaalsContact O-CG 3.24Å; L188-L192 WeakPolarHBondContact O-CG 3.49Å; L188-L192 PolarHBondContact O-N 2.74Å; L189-L192 PolarHBondContact O-N 3.2Å; D190-L192 PolarHBondContact O-N 3.05Å; L192-S194 VanDerWaalsContact C-N 3.3Å; L192-S194 PolarHBondContact O-N 3.29Å; L192-L195 CarbonylContact O-C 3.54Å; L192-L195 WeakPolarHBondContact O-CA 3.24Å; L192-L195 WeakPolarHBondContact O-CB 3.1Å; L192-L195 PolarHBondContact O-N 2.85Å; L192-L195 VanDerWaalsContact O-N 3.09Å; L192-Q196 WeakPolarHBondContact O-CB 3.41Å; L192-Q196 PolarHBondContact O-N 2.78Å |
| 193 | A | 78.9 | Confident | 75.6 | Confident | 50 Ų | 50 | 95.3 Ų | 95.3 | 41% | 0.413 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.3 | L189 D190 L195 Q196 S197 | L189-A193 WeakPolarHBondContact O-CB 3.32Å; L189-A193 PolarHBondContact O-N 2.77Å; D190-A193 PolarHBondContact O-N 2.74Å; A193-L195 VanDerWaalsContact C-N 3.32Å; A193-L195 PolarHBondContact O-N 3.12Å; A193-Q196 PolarHBondContact O-N 3.18Å; A193-S197 PolarHBondContact O-N 3.22Å |
| 194 | S | 78.2 | Confident | 75.1 | Confident | 42 Ų | 42 | 93.6 Ų | 93.6 | 29% | 0.294 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.2 | -39.3 | 173.1 | 95.3 | 0 | 0 | 0 | 0 | 112 | D190 E191 L192 K198 | D190-S194 PolarHBondContact O-N 2.77Å; E191-S194 WeakPolarHBondContact O-CB 3.33Å; E191-S194 PolarHBondContact O-N 3.42Å; E191-S194 PolarHBondContact O-OG 2.82Å; L192-S194 VanDerWaalsContact C-N 3.3Å; L192-S194 PolarHBondContact O-N 3.29Å; S194-K198 WeakPolarHBondContact O-CB 3.5Å; S194-K198 VanDerWaalsContact O-CD 3.23Å; S194-K198 WeakPolarHBondContact O-CD 3.48Å; S194-K198 WeakPolarHBondContact O-CG 3.36Å; S194-K198 PolarHBondContact O-N 3.29Å; S194-K198 PolarHBondContact OG-NZ 2.84Å |
| 195 | L | 80.7 | Confident | 74.6 | Confident | 105 Ų | 105 | 96.6 Ų | 96.6 | 55% | 0.55 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -67.4 | -40.2 | 177.6 | -121.8 | 76.6 | 0 | 0 | 0 | 111.4 | E191 L192 A193 K198 F199 | E191-L195 PolarHBondContact O-N 3.11Å; L192-L195 CarbonylContact O-C 3.54Å; L192-L195 WeakPolarHBondContact O-CA 3.24Å; L192-L195 WeakPolarHBondContact O-CB 3.1Å; L192-L195 PolarHBondContact O-N 2.85Å; L192-L195 VanDerWaalsContact O-N 3.09Å; A193-L195 VanDerWaalsContact C-N 3.32Å; A193-L195 PolarHBondContact O-N 3.12Å; L195-K198 PolarHBondContact O-N 3.41Å; L195-F199 WeakPolarHBondContact O-CB 3.3Å; L195-F199 PolarHBondContact O-N 2.78Å |
| 196 | Q | 75.2 | Confident | 73.8 | Confident | 129 Ų | 129 | 99 Ų | 99 | 60% | 0.603 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -65 | -43.7 | 177.6 | -166 | 174.7 | 11.8 | 0 | 0 | 111.2 | L192 A193 F199 I200 | L192-Q196 WeakPolarHBondContact O-CB 3.41Å; L192-Q196 PolarHBondContact O-N 2.78Å; A193-Q196 PolarHBondContact O-N 3.18Å; Q196-F199 PolarHBondContact O-N 3.4Å; Q196-I200 HydrophobicContact CG-CD1 4.25Å; Q196-I200 VanDerWaalsContact O-CG1 3.28Å; Q196-I200 WeakPolarHBondContact O-CG1 3.19Å; Q196-I200 PolarHBondContact O-N 2.83Å |
| 197 | S | 75.2 | Confident | 72.6 | Confident | 55 Ų | 55 | 100.3 Ų | 100.3 | 39% | 0.385 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.9 | -39.3 | 174.3 | -176 | 0 | 0 | 0 | 0 | 112.6 | A193 F199 I200 T201 | A193-S197 PolarHBondContact O-N 3.22Å; S197-F199 PolarHBondContact O-N 3.02Å; S197-I200 PolarHBondContact O-N 2.79Å; S197-T201 WeakPolarHBondContact O-CB 3.34Å; S197-T201 PolarHBondContact O-N 2.79Å; S197-T201 PolarHBondContact O-OG1 2.87Å |
| 198 | K | 83.8 | Confident | 71.4 | Confident | 119 Ų | 119 | 101.4 Ų | 101.4 | 52% | 0.517 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -41.7 | 170.4 | -70.6 | 158.5 | -168.9 | 157.2 | 0 | 111.7 | S194 L195 T201 L202 | S194-K198 WeakPolarHBondContact O-CB 3.5Å; S194-K198 VanDerWaalsContact O-CD 3.23Å; S194-K198 WeakPolarHBondContact O-CD 3.48Å; S194-K198 WeakPolarHBondContact O-CG 3.36Å; S194-K198 PolarHBondContact O-N 3.29Å; S194-K198 PolarHBondContact OG-NZ 2.84Å; L195-K198 PolarHBondContact O-N 3.41Å; K198-T201 PolarHBondContact O-N 2.8Å; K198-L202 WeakPolarHBondContact O-CB 3.4Å; K198-L202 PolarHBondContact O-N 3.02Å |
| 199 | F | 77 | Confident | 70.4 | Confident | 132 Ų | 132 | 100.3 Ų | 100.3 | 58% | 0.579 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -66.5 | -46 | 178.1 | -178.9 | -92.4 | 0 | 0 | 0 | 111.9 | L195 Q196 S197 T201 L202 Q203 | L195-F199 WeakPolarHBondContact O-CB 3.3Å; L195-F199 PolarHBondContact O-N 2.78Å; Q196-F199 PolarHBondContact O-N 3.4Å; S197-F199 PolarHBondContact O-N 3.02Å; F199-T201 VanDerWaalsContact C-N 3.29Å; F199-T201 PolarHBondContact O-N 3.31Å; F199-L202 CarbonylContact O-C 3.44Å; F199-L202 WeakPolarHBondContact O-CB 3.31Å; F199-L202 PolarHBondContact O-N 3.38Å; F199-L202 VanDerWaalsContact O-N 3.13Å; F199-Q203 WeakPolarHBondContact O-CB 3.21Å; F199-Q203 PolarHBondContact O-N 3.43Å |
| 200 | I | 77.6 | Confident | 69 | Low | 93 Ų | 93 | 99 Ų | 99 | 48% | 0.477 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -59 | -42.3 | 174.1 | -68.7 | 162.8 | 0 | 0 | 0 | 110.3 | Q196 S197 L202 Q203 A204 | Q196-I200 HydrophobicContact CG-CD1 4.25Å; Q196-I200 VanDerWaalsContact O-CG1 3.28Å; Q196-I200 WeakPolarHBondContact O-CG1 3.19Å; Q196-I200 PolarHBondContact O-N 2.83Å; S197-I200 PolarHBondContact O-N 2.79Å; I200-L202 PolarHBondContact O-N 2.74Å; I200-Q203 PolarHBondContact O-N 2.73Å; I200-A204 WeakPolarHBondContact O-CB 3.39Å; I200-A204 PolarHBondContact O-N 3.31Å |
| 201 | T | 78.1 | Confident | 67.1 | Low | 64 Ų | 64 | 103.7 Ų | 103.7 | 39% | 0.393 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -63.1 | -39.8 | 175.3 | -60.1 | 0 | 0 | 0 | 0 | 112.3 | S197 K198 F199 R205 | S197-T201 WeakPolarHBondContact O-CB 3.34Å; S197-T201 PolarHBondContact O-N 2.79Å; S197-T201 PolarHBondContact O-OG1 2.87Å; K198-T201 PolarHBondContact O-N 2.8Å; F199-T201 VanDerWaalsContact C-N 3.29Å; F199-T201 PolarHBondContact O-N 3.31Å; T201-R205 WeakPolarHBondContact O-CG 3.41Å; T201-R205 PolarHBondContact O-N 2.8Å |
| 202 | L | 68.7 | Low | 64.9 | Low | 112 Ų | 112 | 102.5 Ų | 102.5 | 59% | 0.586 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -67 | -42.6 | 173.8 | -97 | 160.3 | 0 | 0 | 0 | 112.3 | K198 F199 I200 R205 Y206 | K198-L202 WeakPolarHBondContact O-CB 3.4Å; K198-L202 PolarHBondContact O-N 3.02Å; F199-L202 CarbonylContact O-C 3.44Å; F199-L202 WeakPolarHBondContact O-CB 3.31Å; F199-L202 PolarHBondContact O-N 3.38Å; F199-L202 VanDerWaalsContact O-N 3.13Å; I200-L202 PolarHBondContact O-N 2.74Å; L202-R205 PolarHBondContact O-N 3.37Å; L202-Y206 WeakPolarHBondContact O-CB 3.21Å; L202-Y206 PolarHBondContact O-N 2.8Å |
| 203 | Q | 70.7 | Confident | 62.8 | Low | 93 Ų | 93 | 106.1 Ų | 106.1 | 44% | 0.435 | 54% | 0.541 | S | S | . | . | H | α-helix | trans | -62.6 | -43.5 | 177 | -167.9 | -179.5 | 23.3 | 0 | 0 | 110.9 | F199 I200 Y206 Q207 | F199-Q203 WeakPolarHBondContact O-CB 3.21Å; F199-Q203 PolarHBondContact O-N 3.43Å; I200-Q203 PolarHBondContact O-N 2.73Å; Q203-Y206 PolarHBondContact O-N 2.71Å; Q203-Q207 WeakPolarHBondContact O-CB 3.23Å; Q203-Q207 WeakPolarHBondContact O-CG 3.33Å; Q203-Q207 PolarHBondContact O-N 3.37Å |
| 204 | A | 64.1 | Low | 60.5 | Low | 45 Ų | 45 | 109.6 Ų | 109.6 | 37% | 0.372 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.2 | -44.4 | 173.2 | 0 | 0 | 0 | 0 | 0 | 112 | I200 Y206 Q207 L208 | I200-A204 WeakPolarHBondContact O-CB 3.39Å; I200-A204 PolarHBondContact O-N 3.31Å; A204-Y206 VanDerWaalsContact C-N 3.34Å; A204-Y206 PolarHBondContact O-N 2.83Å; A204-Q207 PolarHBondContact O-N 2.72Å; A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 2.69Å |
| 205 | R | 62.9 | Low | 58.2 | Low | 170 Ų | 170 | 116.1 Ų | 116.1 | 64% | 0.642 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -60.4 | -40.8 | 173.8 | -75.8 | 176.1 | -178.4 | -178.4 | 2.1 | 112.2 | T201 L202 L208 A209 | T201-R205 WeakPolarHBondContact O-CG 3.41Å; T201-R205 PolarHBondContact O-N 2.8Å; L202-R205 PolarHBondContact O-N 3.37Å; R205-L208 PolarHBondContact O-N 2.83Å; R205-A209 WeakPolarHBondContact O-CB 3.18Å; R205-A209 PolarHBondContact O-N 3.48Å |
| 206 | Y | 54.2 | Low | 55.8 | Low | 141 Ų | 141 | 113.9 Ų | 113.9 | 55% | 0.553 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -67.5 | -42 | 177.9 | -177.4 | -95.9 | 0 | 0 | 0 | 112.7 | L202 Q203 A204 L208 A209 S210 | L202-Y206 WeakPolarHBondContact O-CB 3.21Å; L202-Y206 PolarHBondContact O-N 2.8Å; Q203-Y206 PolarHBondContact O-N 2.71Å; A204-Y206 VanDerWaalsContact C-N 3.34Å; A204-Y206 PolarHBondContact O-N 2.83Å; Y206-L208 VanDerWaalsContact C-N 3.29Å; Y206-L208 PolarHBondContact O-N 2.67Å; Y206-A209 PolarHBondContact O-N 2.82Å; Y206-S210 PolarHBondContact O-N 2.83Å; Y206-S210 PolarHBondContact O-OG 3.43Å; Y206-S210 VanDerWaalsContact O-OG 3.06Å |
| 207 | Q | 53.6 | Low | 54.1 | Low | 114 Ų | 114 | 114.2 Ų | 114.2 | 53% | 0.533 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.8 | -31.5 | 174.3 | -72.6 | 177.8 | 8.2 | 0 | 0 | 112.8 | Q203 A204 S210 | Q203-Q207 WeakPolarHBondContact O-CB 3.23Å; Q203-Q207 WeakPolarHBondContact O-CG 3.33Å; Q203-Q207 PolarHBondContact O-N 3.37Å; A204-Q207 PolarHBondContact O-N 2.72Å; Q207-S210 PolarHBondContact O-OG 3.29Å |
| 208 | L | 45.7 | Very low | 52 | Low | 126 Ų | 126 | 118.3 Ų | 118.3 | 66% | 0.66 | 63% | 0.626 | S | S | * | * | H | α-helix | trans | -76.4 | -42 | 172.6 | -69 | 170.7 | 0 | 0 | 0 | 112.2 | A204 R205 Y206 S210 R211 | A204-L208 WeakPolarHBondContact O-CG 3.44Å; A204-L208 PolarHBondContact O-N 2.69Å; R205-L208 PolarHBondContact O-N 2.83Å; Y206-L208 VanDerWaalsContact C-N 3.29Å; Y206-L208 PolarHBondContact O-N 2.67Å; L208-S210 PolarHBondContact O-N 3.15Å; L208-R211 PolarHBondContact O-N 3.05Å |
| 209 | A | 50.6 | Low | 49.4 | Very low | 66 Ų | 66 | 116.2 Ų | 116.2 | 55% | 0.545 | 64% | 0.638 | S | S | . | * | H | α-helix | trans | -62.9 | -42.1 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | R205 Y206 R211 S212 | R205-A209 WeakPolarHBondContact O-CB 3.18Å; R205-A209 PolarHBondContact O-N 3.48Å; Y206-A209 PolarHBondContact O-N 2.82Å; A209-R211 PolarHBondContact O-N 2.97Å; A209-S212 PolarHBondContact O-N 3.29Å |
| 210 | S | 43.8 | Very low | 46.9 | Very low | 76 Ų | 76 | 118.3 Ų | 118.3 | 53% | 0.531 | 66% | 0.655 | S | S | . | * | H | α-helix | trans | -64.4 | -25 | 178.4 | 56.5 | 0 | 0 | 0 | 0 | 113.6 | Y206 Q207 L208 | Y206-S210 PolarHBondContact O-N 2.83Å; Y206-S210 PolarHBondContact O-OG 3.43Å; Y206-S210 VanDerWaalsContact O-OG 3.06Å; Q207-S210 PolarHBondContact O-OG 3.29Å; L208-S210 PolarHBondContact O-N 3.15Å |
| 211 | R | 37.1 | Very low | 44.8 | Very low | 217 Ų | 217 | 123 Ų | 123 | 82% | 0.819 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -12.6 | 176 | -80.9 | -176.8 | 159.6 | -163.2 | -5.1 | 114.9 | L208 A209 K213 | L208-R211 PolarHBondContact O-N 3.05Å; A209-R211 PolarHBondContact O-N 2.97Å; R211-K213 PolarHBondContact O-N 3.16Å |
| 212 | S | 31.6 | Very low | 42.4 | Very low | 98 Ų | 98 | 128.8 Ų | 128.8 | 69% | 0.685 | 69% | 0.694 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.4 | 16 | -168.8 | -164.1 | 0 | 0 | 0 | 0 | 115.7 | A209 T214 | A209-S212 PolarHBondContact O-N 3.29Å; S212-T214 VanDerWaalsContact C-N 3.29Å; S212-T214 PolarHBondContact O-N 3.22Å |
| 213 | K | 30.9 | Very low | 40.3 | Very low | 181 Ų | 181 | 134.2 Ų | 134.2 | 79% | 0.787 | 71% | 0.707 | S | S | * | * | trans | -80.6 | 13.9 | -175.1 | -100.2 | -172.5 | 176.9 | -176.5 | 0 | 116 | R211 | R211-K213 PolarHBondContact O-N 3.16Š| ||
| 214 | T | 30.8 | Very low | 38.3 | Very low | 124 Ų | 124 | 135.8 Ų | 135.8 | 76% | 0.761 | 73% | 0.729 | S | S | * | * | S | Bend | trans | -141.9 | 71.2 | 178.9 | 57.3 | 0 | 0 | 0 | 0 | 114.5 | S212 | S212-T214 VanDerWaalsContact C-N 3.29Å; S212-T214 PolarHBondContact O-N 3.22Å |
| 215 | L | 29.7 | Very low | 36.5 | Very low | 179 Ų | 179 | 139.1 Ų | 139.1 | 94% | 0.937 | 74% | 0.744 | S | S | * | * | S | Bend | trans | -162.4 | 139.8 | 153.3 | -106.7 | 153.8 | 0 | 0 | 0 | 109.5 | ||
| 216 | G | 31.6 | Very low | 34.7 | Very low | 58 Ų | 58 | 135.5 Ų | 135.5 | 60% | 0.598 | 75% | 0.745 | S | S | * | * | trans | -82.3 | 154.2 | -165.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | T218 | G216-T218 PolarHBondContact O-N 3.18Š| ||
| 217 | P | 38.4 | Very low | 33.2 | Very low | 136 Ų | 136 | 135.4 Ų | 135.4 | 88% | 0.883 | 76% | 0.759 | S | S | * | * | trans | -82.2 | 85.3 | -173.8 | 33.6 | -36 | 0 | 0 | 0 | 113 | ||||
| 218 | T | 30.7 | Very low | 31.8 | Very low | 140 Ų | 140 | 135.5 Ų | 135.5 | 86% | 0.859 | 77% | 0.767 | S | S | * | * | trans | -124.7 | 89.6 | 159.1 | 48.2 | 0 | 0 | 0 | 0 | 108.9 | G216 | G216-T218 PolarHBondContact O-N 3.18Š| ||
| 219 | G | 28.9 | Very low | 30.8 | Very low | 75 Ų | 75 | 135.1 Ų | 135.1 | 77% | 0.773 | 78% | 0.775 | S | S | * | * | trans | -77.5 | 150.2 | -168.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 220 | L | 26.4 | Very low | 29.6 | Very low | 176 Ų | 176 | 139.9 Ų | 139.9 | 92% | 0.921 | 79% | 0.79 | S | S | * | * | trans | -117.3 | 125.3 | 154.2 | -72.2 | 175.9 | 0 | 0 | 0 | 107.9 | ||||
| 221 | K | 31.8 | Very low | 28.7 | Very low | 192 Ų | 192 | 139.4 Ų | 139.4 | 84% | 0.835 | 80% | 0.798 | S | S | * | * | trans | -64.9 | 140.6 | 176.3 | -72.6 | -174.7 | 173.6 | -172.7 | 0 | 110.4 | R223 | K221-R223 PolarHBondContact O-N 3.2Š| ||
| 222 | E | 27.6 | Very low | 28.3 | Very low | 186 Ų | 186 | 135.2 Ų | 135.2 | 87% | 0.869 | 80% | 0.796 | S | S | * | * | trans | 14.1 | 91.5 | 143.9 | -61.9 | 171.9 | 143.2 | 0 | 0 | 115.2 | ||||
| 223 | R | 25.4 | Very low | 28.1 | Very low | 225 Ų | 225 | 137.3 Ų | 137.3 | 85% | 0.849 | 80% | 0.8 | S | S | * | * | trans | -128.5 | 94 | 158.9 | -157.3 | 170.8 | -165.6 | 173.4 | 4.5 | 109.7 | K221 V225 | K221-R223 PolarHBondContact O-N 3.2Å; R223-V225 PolarHBondContact O-N 2.96Å | ||
| 224 | S | 28.7 | Very low | 27.9 | Very low | 127 Ų | 127 | 135.5 Ų | 135.5 | 89% | 0.888 | 80% | 0.798 | S | S | * | * | trans | -55.1 | 115.7 | 173.1 | -45.6 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 225 | V | 26.4 | Very low | 27.6 | Very low | 115 Ų | 115 | 134 Ų | 134 | 70% | 0.697 | 79% | 0.793 | S | S | * | * | trans | -132.3 | 124.6 | 171.1 | -177 | 0 | 0 | 0 | 0 | 108.2 | R223 | R223-V225 PolarHBondContact O-N 2.96Š| ||
| 226 | S | 24.1 | Very low | 27.5 | Very low | 94 Ų | 94 | 133.5 Ų | 133.5 | 66% | 0.657 | 79% | 0.785 | S | S | * | * | trans | -63.5 | 141.8 | 176.3 | 49.5 | 0 | 0 | 0 | 0 | 112.2 | V228 | S226-V228 PolarHBondContact O-N 3.11Š| ||
| 227 | T | 24.5 | Very low | 27.2 | Very low | 138 Ų | 138 | 135.2 Ų | 135.2 | 85% | 0.847 | 79% | 0.788 | S | S | * | * | trans | 4.1 | 100.8 | 144.9 | 32.4 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 228 | V | 23.2 | Very low | 26.5 | Very low | 117 Ų | 117 | 136.4 Ų | 136.4 | 71% | 0.709 | 79% | 0.787 | S | S | * | * | trans | -98.1 | 119.2 | 160.6 | 176.3 | 0 | 0 | 0 | 0 | 107.8 | S226 | S226-V228 PolarHBondContact O-N 3.11Š| ||
| 229 | S | 25.5 | Very low | 26.3 | Very low | 117 Ų | 117 | 134.1 Ų | 134.1 | 82% | 0.818 | 78% | 0.777 | S | S | * | * | trans | -68.5 | 129 | 173.6 | -55.6 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 230 | L | 25.9 | Very low | 26.1 | Very low | 166 Ų | 166 | 138.3 Ų | 138.3 | 87% | 0.869 | 78% | 0.782 | S | S | * | * | trans | -125.8 | 125.8 | 169.1 | -70.3 | 176 | 0 | 0 | 0 | 108.8 | ||||
| 231 | G | 23.9 | Very low | 26.1 | Very low | 67 Ų | 67 | 133.3 Ų | 133.3 | 69% | 0.691 | 77% | 0.773 | S | S | * | * | trans | -129.1 | 149.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 232 | V | 29.2 | Very low | 25.8 | Very low | 129 Ų | 129 | 132.9 Ų | 132.9 | 78% | 0.782 | 77% | 0.773 | S | S | * | * | trans | 72 | 99.9 | 145.8 | -171.5 | 0 | 0 | 0 | 0 | 117.2 | ||||
| 233 | D | 27.6 | Very low | 25.7 | Very low | 142 Ų | 142 | 132.2 Ų | 132.2 | 76% | 0.759 | 77% | 0.768 | S | S | * | * | trans | 88.2 | 154.9 | 137.3 | -62.4 | -5.1 | 0 | 0 | 0 | 123.7 | ||||
| 234 | N | 25.2 | Very low | 25.9 | Very low | 143 Ų | 143 | 126 Ų | 126 | 77% | 0.765 | 77% | 0.765 | S | S | * | * | trans | 85.8 | 76.2 | 162.2 | -68.2 | -38.6 | 0 | 0 | 0 | 122 | ||||
| 235 | S | 25.1 | Very low | 25.8 | Very low | 93 Ų | 93 | 127.7 Ų | 127.7 | 65% | 0.65 | 76% | 0.762 | S | S | * | * | 87.3 | 161.4 | 113.6 | 80.3 | 0 | 0 | 0 | 0 | 121.8 | |||||
| 236 | H | 28 | Very low | 25.7 | Very low | 167 Ų | 167 | 127.2 Ų | 127.2 | 77% | 0.773 | 76% | 0.764 | S | S | * | * | trans | 77.6 | 82.9 | 165.3 | -67.3 | 88 | 0 | 0 | 0 | 120.8 | ||||
| 237 | S | 24.2 | Very low | 25.8 | Very low | 94 Ų | 94 | 129 Ų | 129 | 66% | 0.657 | 77% | 0.771 | S | S | * | * | 63.2 | 127 | 125.5 | 65.2 | 0 | 0 | 0 | 0 | 122.8 | |||||
| 238 | N | 23.5 | Very low | 26 | Very low | 161 Ų | 161 | 127.6 Ų | 127.6 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | 64.5 | 136.2 | 149.4 | -69.7 | -8.4 | 0 | 0 | 0 | 118.6 | ||||
| 239 | S | 26.9 | Very low | 26.2 | Very low | 92 Ų | 92 | 133.5 Ų | 133.5 | 64% | 0.643 | 77% | 0.774 | S | S | * | * | cis | -163.4 | 168.5 | 2.9 | 48.7 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 240 | N | 25.9 | Very low | 26.4 | Very low | 163 Ų | 163 | 135.6 Ų | 135.6 | 87% | 0.872 | 78% | 0.775 | S | S | * | * | trans | 62.1 | 114.6 | 159.1 | -60.8 | -12 | 0 | 0 | 0 | 120 | ||||
| 241 | G | 24.8 | Very low | 26.6 | Very low | 72 Ų | 72 | 134.4 Ų | 134.4 | 74% | 0.742 | 77% | 0.77 | S | S | * | * | trans | 138.5 | 95.1 | 136.7 | 0 | 0 | 0 | 0 | 0 | 118.2 | ||||
| 242 | H | 26.8 | Very low | 27.3 | Very low | 182 Ų | 182 | 138.8 Ų | 138.8 | 84% | 0.843 | 77% | 0.772 | S | S | * | * | trans | 48.7 | 90.2 | 154.9 | -69.7 | -73.7 | 0 | 0 | 0 | 119.8 | A244 | H242-A244 PolarHBondContact O-N 3.35Š| ||
| 243 | F | 24.4 | Very low | 27.8 | Very low | 173 Ų | 173 | 141 Ų | 141 | 76% | 0.759 | 77% | 0.774 | S | S | * | * | trans | 7.1 | 107.1 | 131.2 | -67.4 | -91.7 | 0 | 0 | 0 | 116.9 | ||||
| 244 | A | 29.5 | Very low | 28.2 | Very low | 95 Ų | 95 | 139.4 Ų | 139.4 | 79% | 0.785 | 77% | 0.77 | S | S | * | * | trans | -97.8 | 114.8 | 156.7 | 0 | 0 | 0 | 0 | 0 | 108.7 | H242 S246 | H242-A244 PolarHBondContact O-N 3.35Å; A244-S246 PolarHBondContact O-N 3.36Å | ||
| 245 | I | 26.9 | Very low | 28.5 | Very low | 161 Ų | 161 | 139.7 Ų | 139.7 | 83% | 0.826 | 76% | 0.764 | S | S | * | * | trans | -73.6 | 111.8 | 171.8 | -66.5 | 163.5 | 0 | 0 | 0 | 108 | ||||
| 246 | S | 24.3 | Very low | 29 | Very low | 105 Ų | 105 | 142.4 Ų | 142.4 | 73% | 0.734 | 77% | 0.771 | S | S | * | * | trans | -104.3 | 97.4 | 174 | 54.6 | 0 | 0 | 0 | 0 | 110.4 | A244 | A244-S246 PolarHBondContact O-N 3.36Š| ||
| 247 | T | 27 | Very low | 29.7 | Very low | 131 Ų | 131 | 141.9 Ų | 141.9 | 80% | 0.804 | 77% | 0.773 | S | S | * | * | P | Polyproline II helix | trans | -67.8 | 128.7 | 162.5 | 16.1 | 0 | 0 | 0 | 0 | 109.2 | ||
| 248 | P | 28.6 | Very low | 30.3 | Very low | 110 Ų | 110 | 143.4 Ų | 143.4 | 71% | 0.714 | 76% | 0.764 | S | S | * | * | P | Polyproline II helix | trans | -75.4 | 153.6 | -173.7 | 30.4 | -35.4 | 0 | 0 | 0 | 112.4 | ||
| 249 | R | 27.3 | Very low | 31 | Very low | 240 Ų | 240 | 144.5 Ų | 144.5 | 91% | 0.906 | 76% | 0.761 | S | S | * | * | P | Polyproline II helix | trans | -66.3 | 139.9 | 160.3 | -82 | 172.8 | 151.3 | 162.8 | -10.7 | 109.4 | ||
| 250 | L | 28.6 | Very low | 31.6 | Very low | 161 Ų | 161 | 149.4 Ų | 149.4 | 84% | 0.843 | 77% | 0.771 | S | S | * | * | trans | -114.2 | 139.4 | 161.1 | -70.1 | 170.4 | 0 | 0 | 0 | 107.8 | E252 | L250-E252 PolarHBondContact O-N 3.13Š| ||
| 251 | D | 31.2 | Very low | 32.3 | Very low | 142 Ų | 142 | 144.6 Ų | 144.6 | 76% | 0.759 | 75% | 0.75 | S | S | * | * | trans | -78.8 | 120.3 | -173.4 | -79 | -52.3 | 0 | 0 | 0 | 112.5 | Q253 | D251-Q253 PolarHBondContact O-N 3.26Š| ||
| 252 | E | 38 | Very low | 33 | Very low | 158 Ų | 158 | 146.1 Ų | 146.1 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | G | 310 helix | trans | -66.5 | -17.5 | -173 | -158.2 | 166.6 | -149 | 0 | 0 | 113.6 | L250 T254 | L250-E252 PolarHBondContact O-N 3.13Å; E252-T254 VanDerWaalsContact C-N 3.3Å; E252-T254 PolarHBondContact O-N 2.93Å |
| 253 | Q | 39 | Very low | 33.5 | Very low | 177 Ų | 177 | 143.7 Ų | 143.7 | 83% | 0.827 | 73% | 0.733 | S | S | * | * | G | 310 helix | trans | -73.1 | -11.1 | -173.6 | -72.4 | -167.4 | -24.9 | 0 | 0 | 115.5 | D251 | D251-Q253 PolarHBondContact O-N 3.26Š|
| 254 | T | 37.1 | Very low | 34.4 | Very low | 108 Ų | 108 | 138.8 Ų | 138.8 | 66% | 0.663 | 72% | 0.72 | S | S | * | * | G | 310 helix | trans | -84.4 | -16.7 | -177.3 | -31.7 | 0 | 0 | 0 | 0 | 113.4 | E252 | E252-T254 VanDerWaalsContact C-N 3.3Å; E252-T254 PolarHBondContact O-N 2.93Å |
| 255 | F | 30.5 | Very low | 34.9 | Very low | 148 Ų | 148 | 140 Ų | 140 | 65% | 0.649 | 71% | 0.714 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -37 | -171.2 | -142.5 | -100.9 | 0 | 0 | 0 | 113.7 | L257 E1341 | F255-L257 VanDerWaalsContact C-N 3.3Å; F255-L257 PolarHBondContact O-N 3.42Å; F255-E1341 VanDerWaalsContact CE2-OE1 3.3Å; F255-E1341 WeakPolarHBondContact CE2-OE1 3.48Å |
| 256 | L | 37.1 | Very low | 35.4 | Very low | 151 Ų | 151 | 138.8 Ų | 138.8 | 79% | 0.791 | 71% | 0.708 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -0.2 | -170.5 | -70.1 | 176.7 | 0 | 0 | 0 | 115.9 | ||
| 257 | L | 41.9 | Very low | 36.2 | Very low | 156 Ų | 156 | 140 Ų | 140 | 82% | 0.817 | 71% | 0.706 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102 | -5.5 | 175.9 | -76 | 173 | 0 | 0 | 0 | 114.6 | F255 | F255-L257 VanDerWaalsContact C-N 3.3Å; F255-L257 PolarHBondContact O-N 3.42Å |
| 258 | R | 36.7 | Very low | 36.7 | Very low | 126 Ų | 126 | 140.1 Ų | 140.1 | 48% | 0.475 | 70% | 0.698 | S | S | . | * | S | Bend | trans | -85.9 | -20.1 | -179.5 | 177.8 | 157.4 | -83.9 | -104.1 | -8.4 | 114.5 | L1338 | R258-L1338 VanDerWaalsContact CZ-CD2 3.49Š|
| 259 | K | 38.2 | Very low | 36.9 | Very low | 183 Ų | 183 | 139.7 Ų | 139.7 | 80% | 0.796 | 70% | 0.697 | S | S | * | * | S | Bend | trans | -100.7 | 19.2 | -171.6 | -114 | -174.3 | -179.8 | -172.8 | 0 | 116.1 | ||
| 260 | K | 40.5 | Very low | 37.2 | Very low | 195 Ų | 195 | 137.1 Ų | 137.1 | 85% | 0.848 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -114.5 | -5.1 | 178.9 | -121.5 | -176.3 | -177.3 | -176.4 | 0 | 115.5 | ||
| 261 | S | 41 | Very low | 37.5 | Very low | 62 Ų | 62 | 137 Ų | 137 | 43% | 0.434 | 69% | 0.688 | S | S | . | * | S | Bend | trans | -81.9 | -48.2 | 168.6 | 36 | 0 | 0 | 0 | 0 | 111.6 | I263 S264 | S261-I263 PolarHBondContact O-N 2.7Å; S261-S264 PolarHBondContact O-N 2.72Å; S261-S264 PolarHBondContact O-OG 3.06Å |
| 262 | D | 37.9 | Very low | 37.3 | Very low | 104 Ų | 104 | 137 Ų | 137 | 56% | 0.556 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.7 | 18.2 | -159 | -49.3 | 6.5 | 0 | 0 | 0 | 114.8 | ||
| 263 | I | 39 | Very low | 36.9 | Very low | 132 Ų | 132 | 136.2 Ų | 136.2 | 68% | 0.677 | 69% | 0.69 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -117.2 | -20.2 | 178.7 | -61.6 | 177.9 | 0 | 0 | 0 | 111.6 | S261 | S261-I263 PolarHBondContact O-N 2.7Š|
| 264 | S | 43 | Very low | 36.4 | Very low | 69 Ų | 69 | 135.2 Ų | 135.2 | 48% | 0.483 | 69% | 0.69 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -66.6 | -43.6 | 171.7 | 40.2 | 0 | 0 | 0 | 0 | 112.1 | S261 L266 N267 | S261-S264 PolarHBondContact O-N 2.72Å; S261-S264 PolarHBondContact O-OG 3.06Å; S264-L266 PolarHBondContact O-N 2.76Å; S264-N267 PolarHBondContact O-N 2.8Å |
| 265 | D | 38.8 | Very low | 35.9 | Very low | 121 Ų | 121 | 137.3 Ų | 137.3 | 65% | 0.647 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -71.3 | -10.9 | -162.9 | -60.5 | 23.5 | 0 | 0 | 0 | 113.6 | ||
| 266 | L | 37.5 | Very low | 35.7 | Very low | 135 Ų | 135 | 137.9 Ų | 137.9 | 71% | 0.707 | 70% | 0.697 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -90.2 | -25.3 | 172.8 | -69.3 | 174.9 | 0 | 0 | 0 | 112.9 | S264 S269 | S264-L266 PolarHBondContact O-N 2.76Å; L266-S269 PolarHBondContact O-OG 3.48Å |
| 267 | N | 41.8 | Very low | 35.2 | Very low | 131 Ų | 131 | 138.2 Ų | 138.2 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -83.3 | -33 | -174.1 | -127.8 | 33.7 | 0 | 0 | 0 | 113 | S264 S269 F270 | S264-N267 PolarHBondContact O-N 2.8Å; N267-S269 PolarHBondContact O-N 2.88Å; N267-S269 VanDerWaalsContact O-N 3.13Å; N267-F270 PolarHBondContact O-N 3.1Å; N267-F270 VanDerWaalsContact O-N 3.15Å |
| 268 | E | 36.7 | Very low | 34.7 | Very low | 134 Ų | 134 | 137.6 Ų | 137.6 | 63% | 0.626 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -62.9 | -20 | 177.1 | -70 | -161.2 | 139.9 | 0 | 0 | 113.4 | F270 | E268-F270 PolarHBondContact O-N 3.2Å; E268-F270 VanDerWaalsContact O-N 3.17Å |
| 269 | S | 33.5 | Very low | 34.1 | Very low | 101 Ų | 101 | 139.8 Ų | 139.8 | 71% | 0.706 | 72% | 0.717 | S | S | * | * | G | 310 helix | trans | -66.1 | -12.3 | 175.9 | 74.3 | 0 | 0 | 0 | 0 | 114.4 | L266 N267 | L266-S269 PolarHBondContact O-OG 3.48Å; N267-S269 PolarHBondContact O-N 2.88Å; N267-S269 VanDerWaalsContact O-N 3.13Å |
| 270 | F | 33.8 | Very low | 33.6 | Very low | 185 Ų | 185 | 134.6 Ų | 134.6 | 81% | 0.811 | 72% | 0.716 | S | S | * | * | G | 310 helix | trans | -104.5 | -12.2 | -175.6 | -147.2 | -97.7 | 0 | 0 | 0 | 115.2 | N267 E268 | N267-F270 PolarHBondContact O-N 3.1Å; N267-F270 VanDerWaalsContact O-N 3.15Å; E268-F270 PolarHBondContact O-N 3.2Å; E268-F270 VanDerWaalsContact O-N 3.17Å |
| 271 | E | 34 | Very low | 32.9 | Very low | 159 Ų | 159 | 131.5 Ų | 131.5 | 74% | 0.743 | 71% | 0.713 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -119.9 | -0.8 | -176.7 | -67.5 | -154.4 | 135.5 | 0 | 0 | 116.1 | T273 N274 | E271-T273 PolarHBondContact O-N 3.41Å; E271-N274 PolarHBondContact O-N 3.18Å |
| 272 | Q | 27.9 | Very low | 32.1 | Very low | 143 Ų | 143 | 137 Ų | 137 | 67% | 0.668 | 73% | 0.729 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.3 | 37 | 175.2 | -70.4 | -171.8 | 4.1 | 0 | 0 | 115 | ||
| 273 | T | 28.1 | Very low | 31.7 | Very low | 141 Ų | 141 | 140 Ų | 140 | 87% | 0.865 | 74% | 0.742 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -128.4 | 32.8 | 157.1 | 58.2 | 0 | 0 | 0 | 0 | 112.6 | E271 | E271-T273 PolarHBondContact O-N 3.41Š|
| 274 | N | 30.2 | Very low | 31.1 | Very low | 156 Ų | 156 | 139.7 Ų | 139.7 | 83% | 0.834 | 74% | 0.742 | S | S | * | * | S | Bend | trans | -130 | 47.4 | 162.2 | -149.6 | 22 | 0 | 0 | 0 | 110.7 | E271 | E271-N274 PolarHBondContact O-N 3.18Š|
| 275 | E | 25.8 | Very low | 30.3 | Very low | 151 Ų | 151 | 142.2 Ų | 142.2 | 71% | 0.706 | 75% | 0.75 | S | S | * | * | trans | -61.1 | 147.3 | 178.8 | -87.1 | -168.3 | 129.7 | 0 | 0 | 113.2 | ||||
| 276 | H | 26.1 | Very low | 29.6 | Very low | 161 Ų | 161 | 141.2 Ų | 141.2 | 75% | 0.745 | 74% | 0.744 | S | S | * | * | trans | 64 | 102.1 | 169.5 | -56.9 | -53.5 | 0 | 0 | 0 | 117.7 | ||||
| 277 | L | 26.4 | Very low | 29.1 | Very low | 157 Ų | 157 | 143.1 Ų | 143.1 | 82% | 0.822 | 75% | 0.747 | S | S | * | * | -163.2 | 135.9 | 110.3 | -102.2 | 164.5 | 0 | 0 | 0 | 112.8 | |||||
| 278 | N | 31.5 | Very low | 28.3 | Very low | 144 Ų | 144 | 141 Ų | 141 | 77% | 0.77 | 75% | 0.748 | S | S | * | * | trans | 74.3 | 105 | 163.6 | -57.1 | -22.7 | 0 | 0 | 0 | 120.5 | ||||
| 279 | D | 24.5 | Very low | 27.8 | Very low | 171 Ų | 171 | 142 Ų | 142 | 91% | 0.914 | 76% | 0.757 | S | S | * | * | trans | -63.3 | 156 | 162.7 | -54.5 | -93 | 0 | 0 | 0 | 114.3 | ||||
| 280 | G | 27.9 | Very low | 27.6 | Very low | 74 Ų | 74 | 146.2 Ų | 146.2 | 76% | 0.763 | 77% | 0.766 | S | S | * | * | trans | -145.7 | 5.7 | -163.7 | 0 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 281 | V | 25.9 | Very low | 27.2 | Very low | 131 Ų | 131 | 145.8 Ų | 145.8 | 79% | 0.794 | 77% | 0.77 | S | S | * | * | trans | 62.7 | 112 | 157 | 176.9 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 282 | F | 24.7 | Very low | 26.7 | Very low | 178 Ų | 178 | 142.2 Ų | 142.2 | 78% | 0.781 | 77% | 0.768 | S | S | * | * | trans | 44.1 | 123.4 | 141.7 | -75.7 | -104 | 0 | 0 | 0 | 123.4 | ||||
| 283 | M | 29.1 | Very low | 26.7 | Very low | 165 Ų | 165 | 141.3 Ų | 141.3 | 81% | 0.813 | 77% | 0.772 | S | S | * | * | 150.4 | 155.8 | 116 | -79.4 | -56.1 | -178.6 | 0 | 0 | 110.9 | |||||
| 284 | N | 27.1 | Very low | 26.8 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 67% | 0.674 | 77% | 0.774 | S | S | * | * | cis | 171.2 | 117.1 | -38.9 | 179.5 | 58.5 | 0 | 0 | 0 | 106.2 | ||||
| 285 | D | 25.1 | Very low | 26.5 | Very low | 123 Ų | 123 | 141 Ų | 141 | 66% | 0.658 | 77% | 0.77 | S | S | * | * | trans | 76 | 130.7 | 150.2 | -102.6 | -7.1 | 0 | 0 | 0 | 125.6 | ||||
| 286 | N | 24.9 | Very low | 26.8 | Very low | 99 Ų | 99 | 140.8 Ų | 140.8 | 53% | 0.529 | 77% | 0.774 | S | S | . | * | 89.3 | 113.4 | 129.4 | -80.2 | -48.7 | 0 | 0 | 0 | 125.1 | |||||
| 287 | K | 26.7 | Very low | 26.9 | Very low | 175 Ų | 175 | 140 Ų | 140 | 76% | 0.761 | 78% | 0.776 | S | S | * | * | 91.6 | 105.1 | 122.2 | -75.6 | 167.2 | -177.5 | 127.6 | 0 | 123.1 | |||||
| 288 | A | 25.1 | Very low | 27.2 | Very low | 87 Ų | 87 | 140.6 Ų | 140.6 | 72% | 0.719 | 78% | 0.778 | S | S | * | * | 92.6 | 115.8 | 108.8 | 0 | 0 | 0 | 0 | 0 | 122.1 | |||||
| 289 | N | 26.3 | Very low | 27 | Very low | 155 Ų | 155 | 138.8 Ų | 138.8 | 83% | 0.829 | 78% | 0.776 | S | S | * | * | trans | 29.1 | 124.9 | 136.5 | -64.8 | -2.5 | 0 | 0 | 0 | 120.9 | ||||
| 290 | Q | 27.9 | Very low | 27.2 | Very low | 190 Ų | 190 | 138.1 Ų | 138.1 | 89% | 0.888 | 77% | 0.773 | S | S | * | * | -162.8 | 144.3 | 99.7 | -105.4 | 169.3 | 47.5 | 0 | 0 | 113.2 | |||||
| 291 | I | 26.3 | Very low | 27.2 | Very low | 176 Ų | 176 | 140.5 Ų | 140.5 | 90% | 0.903 | 77% | 0.773 | S | S | * | * | trans | -125.5 | 130.6 | 168.3 | -66.7 | 175 | 0 | 0 | 0 | 107.1 | ||||
| 292 | A | 24.2 | Very low | 27.3 | Very low | 83 Ų | 83 | 140 Ų | 140 | 69% | 0.686 | 77% | 0.765 | S | S | * | * | trans | -148.8 | 98.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 293 | T | 26.6 | Very low | 27.4 | Very low | 125 Ų | 125 | 140.4 Ų | 140.4 | 77% | 0.767 | 77% | 0.77 | S | S | * | * | trans | 24.7 | 129 | 142.6 | 56 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 294 | T | 30.7 | Very low | 27.3 | Very low | 145 Ų | 145 | 139.8 Ų | 139.8 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -133.7 | 143.4 | 136.1 | 41.5 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 295 | N | 24.4 | Very low | 27.2 | Very low | 144 Ų | 144 | 139 Ų | 139 | 77% | 0.77 | 77% | 0.773 | S | S | * | * | trans | -94 | 167.4 | 177.1 | -71 | -49.8 | 0 | 0 | 0 | 111.1 | ||||
| 296 | N | 30.9 | Very low | 27.1 | Very low | 147 Ų | 147 | 141.9 Ų | 141.9 | 79% | 0.786 | 78% | 0.782 | S | S | * | * | -162.6 | 116.1 | 126.1 | -98.8 | -37 | 0 | 0 | 0 | 114.2 | |||||
| 297 | N | 28.5 | Very low | 27.3 | Very low | 144 Ų | 144 | 145.7 Ų | 145.7 | 77% | 0.77 | 80% | 0.801 | S | S | * | * | trans | 50.3 | 123.8 | 143 | -54 | -24.2 | 0 | 0 | 0 | 122.7 | ||||
| 298 | I | 33.5 | Very low | 27.1 | Very low | 171 Ų | 171 | 140.5 Ų | 140.5 | 88% | 0.877 | 80% | 0.797 | S | S | * | * | trans | -124 | 143.5 | 156.9 | -66.7 | 169 | 0 | 0 | 0 | 107.2 | ||||
| 299 | S | 27.3 | Very low | 27.1 | Very low | 105 Ų | 105 | 147.9 Ų | 147.9 | 73% | 0.734 | 81% | 0.807 | S | S | * | * | trans | -156.8 | 123.2 | 168.3 | 60.5 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 300 | N | 27.2 | Very low | 27 | Very low | 158 Ų | 158 | 148.7 Ų | 148.7 | 85% | 0.845 | 81% | 0.807 | S | S | * | * | trans | 64.2 | 144.3 | 155 | -89.1 | -1.2 | 0 | 0 | 0 | 118.9 | ||||
| 301 | V | 28.5 | Very low | 26.8 | Very low | 124 Ų | 124 | 146 Ų | 146 | 75% | 0.752 | 80% | 0.799 | S | S | * | * | cis | -135 | 155.9 | -7.3 | -173.8 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 302 | N | 28.5 | Very low | 26.9 | Very low | 120 Ų | 120 | 143.2 Ų | 143.2 | 64% | 0.642 | 80% | 0.795 | S | S | * | * | trans | -77.3 | 142.7 | 173.9 | -35.5 | -97.1 | 0 | 0 | 0 | 112.9 | ||||
| 303 | E | 26.8 | Very low | 26.9 | Very low | 186 Ų | 186 | 142.6 Ų | 142.6 | 87% | 0.869 | 80% | 0.797 | S | S | * | * | -155.3 | 142.6 | 117.1 | -116.9 | 158.8 | -147.4 | 0 | 0 | 112 | |||||
| 304 | L | 27.4 | Very low | 26.9 | Very low | 153 Ų | 153 | 144.1 Ų | 144.1 | 80% | 0.801 | 80% | 0.8 | S | S | * | * | trans | -98 | 148 | 162.7 | -64 | 148.2 | 0 | 0 | 0 | 104.8 | ||||
| 305 | S | 24.2 | Very low | 26.6 | Very low | 108 Ų | 108 | 146.5 Ų | 146.5 | 76% | 0.755 | 80% | 0.8 | S | S | * | * | cis | -142.4 | -179.4 | 20.5 | 50.3 | 0 | 0 | 0 | 0 | 109 | ||||
| 306 | E | 23.6 | Very low | 26.8 | Very low | 184 Ų | 184 | 145.3 Ų | 145.3 | 86% | 0.86 | 80% | 0.798 | S | S | * | * | cis | -159.1 | 175.1 | 27.9 | -164.4 | 162 | -159.3 | 0 | 0 | 110.9 | ||||
| 307 | I | 28.9 | Very low | 26.7 | Very low | 179 Ų | 179 | 146.3 Ų | 146.3 | 92% | 0.918 | 80% | 0.798 | S | S | * | * | trans | -88.4 | 123.9 | -171.1 | -62.5 | 164.7 | 0 | 0 | 0 | 111.2 | ||||
| 308 | G | 22.7 | Very low | 26.9 | Very low | 66 Ų | 66 | 145.7 Ų | 145.7 | 68% | 0.68 | 80% | 0.8 | S | S | * | * | trans | -155.6 | 9.1 | -165.4 | 0 | 0 | 0 | 0 | 0 | 123.3 | ||||
| 309 | R | 25.9 | Very low | 27 | Very low | 243 Ų | 243 | 142.2 Ų | 142.2 | 92% | 0.917 | 79% | 0.787 | S | S | * | * | trans | 69.6 | 168.6 | 179.1 | -53.6 | -176.4 | 177.5 | -122.6 | 6.3 | 117.4 | ||||
| 310 | M | 22.4 | Very low | 27.4 | Very low | 171 Ų | 171 | 145.2 Ų | 145.2 | 84% | 0.842 | 79% | 0.789 | S | S | * | * | trans | 71.3 | 132.2 | 176.5 | -57.1 | -166.4 | 74 | 0 | 0 | 115.3 | ||||
| 311 | D | 23.7 | Very low | 28 | Very low | 133 Ų | 133 | 144.5 Ų | 144.5 | 71% | 0.711 | 79% | 0.785 | S | S | * | * | cis | -148.6 | 167.4 | -9 | -154.8 | -6.5 | 0 | 0 | 0 | 110.8 | G313 | D311-G313 VanDerWaalsContact C-N 3.3Å; D311-G313 PolarHBondContact O-N 2.64Å | ||
| 312 | S | 28.8 | Very low | 28.5 | Very low | 118 Ų | 118 | 145 Ų | 145 | 83% | 0.825 | 78% | 0.783 | S | S | * | * | trans | -77.1 | 73.2 | 178.5 | 53 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 313 | G | 25.1 | Very low | 29 | Very low | 70 Ų | 70 | 143.3 Ų | 143.3 | 72% | 0.722 | 78% | 0.781 | S | S | * | * | trans | -95.9 | 78.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | D311 | D311-G313 VanDerWaalsContact C-N 3.3Å; D311-G313 PolarHBondContact O-N 2.64Å | ||
| 314 | L | 25.4 | Very low | 29.6 | Very low | 158 Ų | 158 | 140.9 Ų | 140.9 | 83% | 0.827 | 77% | 0.772 | S | S | * | * | trans | -115.9 | 81.7 | 163.9 | -100.3 | 170.5 | 0 | 0 | 0 | 109.2 | V316 | L314-V316 PolarHBondContact O-N 2.88Š| ||
| 315 | E | 24.1 | Very low | 30.2 | Very low | 194 Ų | 194 | 144.2 Ų | 144.2 | 91% | 0.907 | 77% | 0.774 | S | S | * | * | trans | -67.4 | 114.7 | 162.4 | -65.6 | -178.9 | 149.7 | 0 | 0 | 107.9 | ||||
| 316 | V | 30.1 | Very low | 30.9 | Very low | 119 Ų | 119 | 143.2 Ų | 143.2 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -109.4 | 133.9 | 169.2 | 178.4 | 0 | 0 | 0 | 0 | 107.4 | L314 T318 | L314-V316 PolarHBondContact O-N 2.88Å; V316-T318 PolarHBondContact O-N 3.38Å | ||
| 317 | E | 28.3 | Very low | 31.3 | Very low | 169 Ų | 169 | 141.6 Ų | 141.6 | 79% | 0.79 | 76% | 0.764 | S | S | * | * | trans | -61.9 | 113.3 | -161.1 | -63.4 | 171.3 | 112.1 | 0 | 0 | 113.4 | T319 | E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 HydrophobicContact CB-CG2 4.14Å; E317-T319 PolarHBondContact O-N 3.2Å | ||
| 318 | T | 31.8 | Very low | 31.4 | Very low | 130 Ų | 130 | 143.7 Ų | 143.7 | 80% | 0.798 | 76% | 0.761 | S | S | * | * | trans | -79.4 | 74.8 | 172.6 | 54.8 | 0 | 0 | 0 | 0 | 110.9 | V316 | V316-T318 PolarHBondContact O-N 3.38Š| ||
| 319 | T | 37.2 | Very low | 31.7 | Very low | 99 Ų | 99 | 148 Ų | 148 | 61% | 0.607 | 76% | 0.764 | S | S | * | * | trans | -110 | -12.4 | -174.9 | 46.4 | 0 | 0 | 0 | 0 | 115.5 | E317 | E317-T319 VanDerWaalsContact C-N 3.31Å; E317-T319 HydrophobicContact CB-CG2 4.14Å; E317-T319 PolarHBondContact O-N 3.2Å | ||
| 320 | E | 35.7 | Very low | 32.2 | Very low | 168 Ų | 168 | 141.9 Ų | 141.9 | 79% | 0.785 | 76% | 0.756 | S | S | * | * | S | Bend | trans | -96.2 | -17.4 | -177.3 | -63.5 | -160.7 | 138.4 | 0 | 0 | 115.4 | D322 S323 | E320-D322 PolarHBondContact O-N 3.27Å; E320-S323 PolarHBondContact O-N 2.77Å |
| 321 | L | 39.5 | Very low | 32.5 | Very low | 143 Ų | 143 | 140.1 Ų | 140.1 | 75% | 0.749 | 76% | 0.755 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -73.8 | -25.6 | -175.7 | -85.4 | 167.5 | 0 | 0 | 0 | 115 | S323 | L321-S323 VanDerWaalsContact C-N 3.31Å; L321-S323 PolarHBondContact O-N 3.49Å |
| 322 | D | 39 | Very low | 32.8 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 72% | 0.717 | 76% | 0.755 | S | S | * | * | H | α-helix | trans | -73.5 | -22.6 | 177.5 | -88.3 | -33.8 | 0 | 0 | 0 | 113.3 | E320 I324 R325 | E320-D322 PolarHBondContact O-N 3.27Å; D322-I324 VanDerWaalsContact C-N 3.32Å; D322-I324 PolarHBondContact O-N 3.32Å; D322-R325 PolarHBondContact O-N 2.76Å |
| 323 | S | 38.1 | Very low | 32.8 | Very low | 85 Ų | 85 | 141.7 Ų | 141.7 | 59% | 0.594 | 75% | 0.754 | S | S | * | * | H | α-helix | trans | -70.3 | -26.9 | -173.8 | -73.1 | 0 | 0 | 0 | 0 | 113.2 | E320 L321 | E320-S323 PolarHBondContact O-N 2.77Å; L321-S323 VanDerWaalsContact C-N 3.31Å; L321-S323 PolarHBondContact O-N 3.49Å |
| 324 | I | 39 | Very low | 32.9 | Very low | 134 Ų | 134 | 146.6 Ų | 146.6 | 69% | 0.687 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -76.3 | -29.8 | 176.6 | -65.1 | 173.1 | 0 | 0 | 0 | 111.4 | D322 S326 | D322-I324 VanDerWaalsContact C-N 3.32Å; D322-I324 PolarHBondContact O-N 3.32Å; I324-S326 VanDerWaalsContact C-N 3.26Å; I324-S326 PolarHBondContact O-N 3.43Å |
| 325 | R | 41.4 | Very low | 33.2 | Very low | 223 Ų | 223 | 145.3 Ų | 145.3 | 84% | 0.842 | 76% | 0.762 | S | S | * | * | H | α-helix | trans | -74 | -14.2 | -173.6 | -150.5 | 170.3 | -158.2 | -100.8 | -0.7 | 114.1 | D322 | D322-R325 PolarHBondContact O-N 2.76Å |
| 326 | S | 38 | Very low | 33.9 | Very low | 87 Ų | 87 | 142.3 Ų | 142.3 | 61% | 0.608 | 76% | 0.759 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89 | -14.8 | -177.7 | -157.4 | 0 | 0 | 0 | 0 | 114.3 | I324 Y328 | I324-S326 VanDerWaalsContact C-N 3.26Å; I324-S326 PolarHBondContact O-N 3.43Å; S326-Y328 PolarHBondContact O-N 2.83Å |
| 327 | L | 33.1 | Very low | 33.7 | Very low | 151 Ų | 151 | 145.5 Ų | 145.5 | 79% | 0.791 | 77% | 0.766 | S | S | * | * | S | Bend | trans | -86.2 | 0.7 | -172.1 | -91.6 | 164.6 | 0 | 0 | 0 | 115.8 | ||
| 328 | Y | 30.5 | Very low | 33.9 | Very low | 222 Ų | 222 | 144.5 Ų | 144.5 | 87% | 0.871 | 76% | 0.764 | S | S | * | * | trans | -109.5 | 72.2 | 170 | -91 | -87.1 | 0 | 0 | 0 | 111.5 | S326 | S326-Y328 PolarHBondContact O-N 2.83Š| ||
| 329 | Q | 29.4 | Very low | 33.9 | Very low | 158 Ų | 158 | 145.5 Ų | 145.5 | 74% | 0.738 | 76% | 0.764 | S | S | * | * | trans | -90.1 | 120.4 | 158.2 | -72 | -164.3 | 0.2 | 0 | 0 | 109.6 | T331 | Q329-T331 PolarHBondContact O-N 3.46Š| ||
| 330 | P | 34.9 | Very low | 33.9 | Very low | 114 Ų | 114 | 146.3 Ų | 146.3 | 74% | 0.74 | 77% | 0.769 | S | S | * | * | trans | -78.1 | 112.6 | 178.3 | 30.2 | -32.6 | 0 | 0 | 0 | 110.9 | ||||
| 331 | T | 29.6 | Very low | 34 | Very low | 134 Ų | 134 | 147.5 Ų | 147.5 | 82% | 0.822 | 78% | 0.777 | S | S | * | * | trans | -104.9 | 89.9 | 169 | 39.9 | 0 | 0 | 0 | 0 | 110.3 | Q329 | Q329-T331 PolarHBondContact O-N 3.46Š| ||
| 332 | D | 29.1 | Very low | 34.2 | Very low | 135 Ų | 135 | 145.7 Ų | 145.7 | 72% | 0.722 | 77% | 0.767 | S | S | * | * | trans | -63.5 | 154.2 | 174.9 | -74.2 | -55.4 | 0 | 0 | 0 | 112.9 | ||||
| 333 | N | 29.5 | Very low | 34.5 | Very low | 148 Ų | 148 | 147.3 Ų | 147.3 | 79% | 0.791 | 77% | 0.773 | S | S | * | * | trans | 75.5 | 104.8 | 173.6 | -45.2 | -77.8 | 0 | 0 | 0 | 116.7 | ||||
| 334 | L | 28.2 | Very low | 34.9 | Very low | 173 Ų | 173 | 148.9 Ų | 148.9 | 91% | 0.906 | 78% | 0.775 | S | S | * | * | -145.7 | 158.8 | 107.7 | -129.5 | 81.9 | 0 | 0 | 0 | 110.2 | |||||
| 335 | T | 30.3 | Very low | 35.8 | Very low | 132 Ų | 132 | 149.4 Ų | 149.4 | 81% | 0.81 | 77% | 0.772 | S | S | * | * | trans | -83.5 | 142.1 | -164.3 | 45.4 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 336 | P | 39.9 | Very low | 37.1 | Very low | 130 Ų | 130 | 146.7 Ų | 146.7 | 84% | 0.844 | 77% | 0.768 | S | S | * | * | trans | -86.8 | 134.4 | 175.5 | 34.1 | -32.9 | 0 | 0 | 0 | 112.5 | ||||
| 337 | E | 26.5 | Very low | 38.7 | Very low | 187 Ų | 187 | 148.1 Ų | 148.1 | 87% | 0.874 | 77% | 0.765 | S | S | * | * | trans | -145.1 | 144.4 | 166.8 | -166.4 | 170.3 | -152 | 0 | 0 | 111.2 | ||||
| 338 | I | 32.2 | Very low | 40.4 | Very low | 148 Ų | 148 | 146.4 Ų | 146.4 | 76% | 0.759 | 76% | 0.756 | S | S | * | * | trans | 121.4 | 86.6 | 167.4 | -61.5 | 168.2 | 0 | 0 | 0 | 115.3 | ||||
| 339 | L | 31.4 | Very low | 42.6 | Very low | 150 Ų | 150 | 139.4 Ų | 139.4 | 79% | 0.785 | 74% | 0.74 | S | S | * | * | trans | 55.2 | 90.8 | 130.9 | -54.1 | -179.7 | 0 | 0 | 0 | 121.2 | ||||
| 340 | V | 36.8 | Very low | 45.3 | Very low | 117 Ų | 117 | 135.9 Ų | 135.9 | 71% | 0.709 | 73% | 0.729 | S | S | * | * | 45 | 107.7 | 115.6 | -175.8 | 0 | 0 | 0 | 0 | 118.6 | D342 | V340-D342 HydrophobicContact CG1-CB 4.21Š| |||
| 341 | M | 37.1 | Very low | 47.4 | Very low | 193 Ų | 193 | 135 Ų | 135 | 95% | 0.951 | 72% | 0.715 | S | S | * | * | trans | -124 | 95.3 | 136.7 | -74.7 | -177.3 | 63.6 | 0 | 0 | 108 | ||||
| 342 | D | 44.9 | Very low | 49.6 | Very low | 104 Ų | 104 | 134.2 Ų | 134.2 | 56% | 0.556 | 71% | 0.705 | S | S | * | * | trans | -95.3 | 111.7 | -178 | -118.5 | -12.7 | 0 | 0 | 0 | 110 | V340 K345 | V340-D342 HydrophobicContact CG1-CB 4.21Å; D342-K345 IonicContact OD1-NZ 2.86Å; D342-K345 PolarHBondContact OD1-NZ 3.07Å | ||
| 343 | M | 44.3 | Very low | 52.3 | Low | 168 Ų | 168 | 130.5 Ų | 130.5 | 83% | 0.828 | 69% | 0.693 | S | S | * | * | S | Bend | trans | -166.8 | -50 | 157 | -99.9 | -88.5 | -77.6 | 0 | 0 | 111.3 | K345 | M343-K345 VanDerWaalsContact C-N 3.25Å; M343-K345 PolarHBondContact O-N 2.72Å; M343-K345 VanDerWaalsContact O-N 3.16Å |
| 344 | D | 47.5 | Very low | 55 | Low | 118 Ų | 118 | 127.9 Ų | 127.9 | 63% | 0.631 | 68% | 0.676 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.3 | 12.5 | -171 | -59 | -59.4 | 0 | 0 | 0 | 115.6 | H346 H347 L348 | D344-H346 PolarHBondContact O-N 2.97Å; D344-H346 VanDerWaalsContact O-N 3.09Å; D344-H347 PolarHBondContact O-N 3.24Å; D344-L348 PolarHBondContact O-N 2.76Å; D344-L348 VanDerWaalsContact O-N 3.13Å |
| 345 | K | 57.1 | Low | 57.6 | Low | 146 Ų | 146 | 123.4 Ų | 123.4 | 64% | 0.635 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -57.1 | -29.9 | -172.5 | -160.4 | 175.2 | -158.4 | 156.9 | 0 | 114.1 | D342 M343 S349 | D342-K345 IonicContact OD1-NZ 2.86Å; D342-K345 PolarHBondContact OD1-NZ 3.07Å; M343-K345 VanDerWaalsContact C-N 3.25Å; M343-K345 PolarHBondContact O-N 2.72Å; M343-K345 VanDerWaalsContact O-N 3.16Å; K345-S349 WeakPolarHBondContact O-CB 3.5Å; K345-S349 PolarHBondContact O-N 3.38Å; K345-S349 VanDerWaalsContact O-N 3.11Å |
| 346 | H | 68.8 | Low | 60.1 | Low | 165 Ų | 165 | 122.9 Ų | 122.9 | 76% | 0.764 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -74.2 | -38.7 | 175.2 | -105.5 | -64.6 | 0 | 0 | 0 | 112.9 | D344 S349 V350 | D344-H346 PolarHBondContact O-N 2.97Å; D344-H346 VanDerWaalsContact O-N 3.09Å; H346-S349 PolarHBondContact O-N 3.14Å; H346-V350 WeakPolarHBondContact O-CG2 3.3Å; H346-V350 PolarHBondContact O-N 2.8Å |
| 347 | H | 71.7 | Confident | 62.4 | Low | 117 Ų | 117 | 118.8 Ų | 118.8 | 54% | 0.542 | 62% | 0.619 | S | S | . | * | H | α-helix | trans | -68.2 | -47.3 | 178.7 | -167.3 | -14.6 | 0 | 0 | 0 | 110.4 | D344 S349 V350 E351 | D344-H347 PolarHBondContact O-N 3.24Å; H347-S349 VanDerWaalsContact C-N 3.29Å; H347-S349 PolarHBondContact O-N 2.77Å; H347-V350 PolarHBondContact O-N 3.5Å; H347-V350 VanDerWaalsContact O-N 3.12Å; H347-E351 IonicContact CE1-OE1 2.68Å; H347-E351 PolarHBondContact CE1-OE1 3.42Å; H347-E351 VanDerWaalsContact CE1-OE1 3.28Å; H347-E351 IonicContact ND1-OE1 3.93Å; H347-E351 PolarHBondContact O-N 3.17Å |
| 348 | L | 69.7 | Low | 65.5 | Low | 115 Ų | 115 | 114.7 Ų | 114.7 | 60% | 0.602 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -61.1 | -36.4 | 175.3 | -121.7 | 70.9 | 0 | 0 | 0 | 112.4 | D344 E351 L352 | D344-L348 PolarHBondContact O-N 2.76Å; D344-L348 VanDerWaalsContact O-N 3.13Å; L348-E351 PolarHBondContact O-N 2.87Å; L348-L352 WeakPolarHBondContact O-CB 3.44Å; L348-L352 PolarHBondContact O-N 2.77Å |
| 349 | S | 76.6 | Confident | 68.2 | Low | 75 Ų | 75 | 113.5 Ų | 113.5 | 52% | 0.524 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -68 | -34.2 | 175.5 | -173.3 | 0 | 0 | 0 | 0 | 112.7 | K345 H346 H347 A353 | K345-S349 WeakPolarHBondContact O-CB 3.5Å; K345-S349 PolarHBondContact O-N 3.38Å; K345-S349 VanDerWaalsContact O-N 3.11Å; H346-S349 PolarHBondContact O-N 3.14Å; H347-S349 VanDerWaalsContact C-N 3.29Å; H347-S349 PolarHBondContact O-N 2.77Å; S349-A353 VanDerWaalsContact O-CB 3.28Å; S349-A353 WeakPolarHBondContact O-CB 3.08Å; S349-A353 PolarHBondContact O-N 2.83Å |
| 350 | V | 85 | Confident | 71 | Confident | 85 Ų | 85 | 114.4 Ų | 114.4 | 52% | 0.515 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.5 | -44.8 | 173.2 | 170.6 | 0 | 0 | 0 | 0 | 111 | H346 H347 L352 A353 E354 | H346-V350 WeakPolarHBondContact O-CG2 3.3Å; H346-V350 PolarHBondContact O-N 2.8Å; H347-V350 PolarHBondContact O-N 3.5Å; H347-V350 VanDerWaalsContact O-N 3.12Å; V350-L352 PolarHBondContact O-N 2.94Å; V350-A353 CarbonylContact O-C 3.58Å; V350-A353 PolarHBondContact O-N 2.94Å; V350-E354 WeakPolarHBondContact O-CB 3.27Å; V350-E354 PolarHBondContact O-N 2.69Å |
| 351 | E | 78.9 | Confident | 73.6 | Confident | 94 Ų | 94 | 114.9 Ų | 114.9 | 44% | 0.439 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -64.4 | -38.2 | 176.6 | -68.9 | -177 | 149 | 0 | 0 | 112.4 | H347 L348 E354 T355 | H347-E351 IonicContact CE1-OE1 2.68Å; H347-E351 PolarHBondContact CE1-OE1 3.42Å; H347-E351 VanDerWaalsContact CE1-OE1 3.28Å; H347-E351 IonicContact ND1-OE1 3.93Å; H347-E351 PolarHBondContact O-N 3.17Å; L348-E351 PolarHBondContact O-N 2.87Å; E351-E354 PolarHBondContact O-N 2.83Å; E351-T355 WeakPolarHBondContact O-CB 3.41Å; E351-T355 WeakPolarHBondContact O-CG2 3.44Å; E351-T355 PolarHBondContact O-N 2.73Å; E351-T355 PolarHBondContact O-OG1 2.81Å |
| 352 | L | 75.7 | Confident | 76 | Confident | 118 Ų | 118 | 107.5 Ų | 107.5 | 62% | 0.618 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -69.1 | -34.3 | 174.8 | -165.8 | 149.2 | 0 | 0 | 0 | 111.6 | L348 V350 T355 K356 | L348-L352 WeakPolarHBondContact O-CB 3.44Å; L348-L352 PolarHBondContact O-N 2.77Å; V350-L352 PolarHBondContact O-N 2.94Å; L352-T355 WeakPolarHBondContact CA-OG1 3.42Å; L352-T355 PolarHBondContact O-OG1 3.21Å; L352-K356 WeakPolarHBondContact O-CB 3.39Å; L352-K356 PolarHBondContact O-N 2.75Å; L352-K356 VanDerWaalsContact O-N 3.1Å |
| 353 | A | 85.7 | Confident | 78.1 | Confident | 57 Ų | 57 | 107.9 Ų | 107.9 | 47% | 0.471 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -68.7 | -40.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | S349 V350 K356 A357 | S349-A353 VanDerWaalsContact O-CB 3.28Å; S349-A353 WeakPolarHBondContact O-CB 3.08Å; S349-A353 PolarHBondContact O-N 2.83Å; V350-A353 CarbonylContact O-C 3.58Å; V350-A353 PolarHBondContact O-N 2.94Å; A353-K356 PolarHBondContact O-N 3.08Å; A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 2.73Å |
| 354 | E | 86.7 | Confident | 80.3 | Confident | 93 Ų | 93 | 104.1 Ų | 104.1 | 44% | 0.435 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -72.2 | -41.1 | -179 | -162.5 | -168.1 | 132 | 0 | 0 | 111.9 | V350 E351 A357 K358 | V350-E354 WeakPolarHBondContact O-CB 3.27Å; V350-E354 PolarHBondContact O-N 2.69Å; E351-E354 PolarHBondContact O-N 2.83Å; E354-A357 CarbonylContact O-C 3.48Å; E354-A357 WeakPolarHBondContact O-CA 3.36Å; E354-A357 WeakPolarHBondContact O-CB 3.39Å; E354-A357 PolarHBondContact O-N 3.16Å; E354-A357 VanDerWaalsContact O-N 3.14Å; E354-K358 WeakPolarHBondContact O-CG 3.09Å; E354-K358 PolarHBondContact O-N 2.64Å; E354-K358 WeakPolarHBondContact OE1-CE 3.19Å; E354-K358 IonicContact OE1-NZ 3.68Å; E354-K358 PolarHBondContact OE1-NZ 2.82Å |
| 355 | T | 82.8 | Confident | 82.3 | Confident | 79 Ų | 79 | 103.3 Ų | 103.3 | 49% | 0.485 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -63.6 | -40 | 171.5 | 48.4 | 0 | 0 | 0 | 0 | 111.4 | E351 L352 A357 K358 L359 | E351-T355 WeakPolarHBondContact O-CB 3.41Å; E351-T355 WeakPolarHBondContact O-CG2 3.44Å; E351-T355 PolarHBondContact O-N 2.73Å; E351-T355 PolarHBondContact O-OG1 2.81Å; L352-T355 WeakPolarHBondContact CA-OG1 3.42Å; L352-T355 PolarHBondContact O-OG1 3.21Å; T355-A357 VanDerWaalsContact C-N 3.29Å; T355-A357 PolarHBondContact O-N 3.07Å; T355-K358 PolarHBondContact O-N 3.28Å; T355-L359 WeakPolarHBondContact O-CB 3.23Å; T355-L359 PolarHBondContact O-N 2.62Å |
| 356 | K | 83.5 | Confident | 83.8 | Confident | 122 Ų | 122 | 101 Ų | 101 | 53% | 0.53 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.4 | -29.7 | 171.3 | -168.4 | 166.5 | -173.2 | 167.6 | 0 | 113 | L352 A353 R360 | L352-K356 WeakPolarHBondContact O-CB 3.39Å; L352-K356 PolarHBondContact O-N 2.75Å; L352-K356 VanDerWaalsContact O-N 3.1Å; A353-K356 PolarHBondContact O-N 3.08Å; K356-R360 WeakPolarHBondContact O-CB 3.39Å; K356-R360 WeakPolarHBondContact O-CG 3.28Å; K356-R360 PolarHBondContact O-N 2.72Å; K356-R360 VanDerWaalsContact O-N 3.08Å |
| 357 | A | 88 | Confident | 84.6 | Confident | 43 Ų | 43 | 98.2 Ų | 98.2 | 36% | 0.355 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -79.2 | -26.2 | 172.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | A353 E354 T355 R361 | A353-A357 WeakPolarHBondContact O-CB 3.44Å; A353-A357 PolarHBondContact O-N 2.73Å; E354-A357 CarbonylContact O-C 3.48Å; E354-A357 WeakPolarHBondContact O-CA 3.36Å; E354-A357 WeakPolarHBondContact O-CB 3.39Å; E354-A357 PolarHBondContact O-N 3.16Å; E354-A357 VanDerWaalsContact O-N 3.14Å; T355-A357 VanDerWaalsContact C-N 3.29Å; T355-A357 PolarHBondContact O-N 3.07Å; A357-R361 WeakPolarHBondContact O-CG 3.31Å; A357-R361 PolarHBondContact O-N 3.31Å; A357-R361 PolarHBondContact O-NE 2.65Å |
| 358 | K | 90.6 | Very high | 85.5 | Confident | 102 Ų | 102 | 96.6 Ų | 96.6 | 44% | 0.443 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.5 | -46.7 | 167.9 | -73.3 | 166.9 | -176.5 | 165.6 | 0 | 110.2 | E354 T355 R360 R361 A362 | E354-K358 WeakPolarHBondContact O-CG 3.09Å; E354-K358 PolarHBondContact O-N 2.64Å; E354-K358 WeakPolarHBondContact OE1-CE 3.19Å; E354-K358 IonicContact OE1-NZ 3.68Å; E354-K358 PolarHBondContact OE1-NZ 2.82Å; T355-K358 PolarHBondContact O-N 3.28Å; K358-R360 VanDerWaalsContact C-N 3.33Å; K358-R360 PolarHBondContact O-N 3.29Å; K358-R361 PolarHBondContact O-N 3.43Å; K358-R361 VanDerWaalsContact O-N 3.14Å; K358-A362 PolarHBondContact O-N 3.07Å |
| 359 | L | 89.3 | Confident | 86.4 | Confident | 122 Ų | 122 | 96.6 Ų | 96.6 | 64% | 0.639 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -59.5 | -41.3 | 175.8 | -174.2 | 66.5 | 0 | 0 | 0 | 112.3 | T355 A362 H363 | T355-L359 WeakPolarHBondContact O-CB 3.23Å; T355-L359 PolarHBondContact O-N 2.62Å; L359-A362 PolarHBondContact O-N 2.82Å; L359-H363 PolarHBondContact O-N 3.32Å |
| 360 | R | 91.2 | Very high | 86.8 | Confident | 169 Ų | 169 | 95.4 Ų | 95.4 | 64% | 0.638 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -63.6 | -39.8 | 173.9 | -80.7 | 173.4 | 168.9 | -178.8 | -6 | 113.4 | K356 K358 H363 I364 | K356-R360 WeakPolarHBondContact O-CB 3.39Å; K356-R360 WeakPolarHBondContact O-CG 3.28Å; K356-R360 PolarHBondContact O-N 2.72Å; K356-R360 VanDerWaalsContact O-N 3.08Å; K358-R360 VanDerWaalsContact C-N 3.33Å; K358-R360 PolarHBondContact O-N 3.29Å; R360-H363 PolarHBondContact O-N 2.9Å; R360-I364 WeakPolarHBondContact O-CG1 3.28Å; R360-I364 PolarHBondContact O-N 3.5Å; R360-I364 VanDerWaalsContact O-N 3.08Å |
| 361 | R | 91.1 | Very high | 87 | Confident | 128 Ų | 128 | 96.4 Ų | 96.4 | 48% | 0.483 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65.4 | -47.2 | 174.5 | -80.7 | -179.4 | -73.7 | 156.4 | -10.9 | 111.3 | A357 K358 H363 I364 E365 | A357-R361 WeakPolarHBondContact O-CG 3.31Å; A357-R361 PolarHBondContact O-N 3.31Å; A357-R361 PolarHBondContact O-NE 2.65Å; K358-R361 PolarHBondContact O-N 3.43Å; K358-R361 VanDerWaalsContact O-N 3.14Å; R361-H363 PolarHBondContact O-N 2.71Å; R361-I364 PolarHBondContact O-N 2.85Å; R361-I364 VanDerWaalsContact O-N 3.12Å; R361-E365 WeakPolarHBondContact O-CB 3.44Å; R361-E365 VanDerWaalsContact O-CG 3.25Å; R361-E365 WeakPolarHBondContact O-CG 3.17Å; R361-E365 PolarHBondContact O-N 3.29Å |
| 362 | A | 86.8 | Confident | 87.6 | Confident | 37 Ų | 37 | 97 Ų | 97 | 31% | 0.306 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.5 | -32.1 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113 | K358 L359 I366 | K358-A362 PolarHBondContact O-N 3.07Å; L359-A362 PolarHBondContact O-N 2.82Å; A362-I366 WeakPolarHBondContact O-CB 3.07Å; A362-I366 WeakPolarHBondContact O-CD1 3.42Å; A362-I366 WeakPolarHBondContact O-CG1 3.49Å; A362-I366 PolarHBondContact O-N 2.93Å |
| 363 | H | 88.8 | Confident | 87.9 | Confident | 112 Ų | 112 | 97.1 Ų | 97.1 | 52% | 0.519 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -69.1 | -46.3 | 173.2 | -127.7 | 43.8 | 0 | 0 | 0 | 111.9 | L359 R360 R361 E365 I366 E367 | L359-H363 PolarHBondContact O-N 3.32Å; R360-H363 PolarHBondContact O-N 2.9Å; R361-H363 PolarHBondContact O-N 2.71Å; H363-E365 VanDerWaalsContact C-N 3.34Å; H363-E365 PolarHBondContact O-N 3.34Å; H363-I366 CarbonylContact O-C 3.59Å; H363-I366 PolarHBondContact O-N 2.75Å; H363-I366 VanDerWaalsContact O-N 3.14Å; H363-E367 IonicContact CD2-OE1 2.69Å; H363-E367 WeakPolarHBondContact O-CG 3.37Å; H363-E367 PolarHBondContact O-N 2.68Å |
| 364 | I | 91.6 | Very high | 88 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 46% | 0.462 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -62.2 | -42.3 | 175.1 | -65.1 | 163.9 | 0 | 0 | 0 | 110.5 | R360 R361 I366 E367 D368 | R360-I364 WeakPolarHBondContact O-CG1 3.28Å; R360-I364 PolarHBondContact O-N 3.5Å; R360-I364 VanDerWaalsContact O-N 3.08Å; R361-I364 PolarHBondContact O-N 2.85Å; R361-I364 VanDerWaalsContact O-N 3.12Å; I364-I366 PolarHBondContact O-N 3.22Å; I364-E367 PolarHBondContact O-N 3.38Å; I364-D368 WeakPolarHBondContact O-CB 3.18Å; I364-D368 PolarHBondContact O-N 2.83Å |
| 365 | E | 89.3 | Confident | 88.2 | Confident | 100 Ų | 100 | 99.7 Ų | 99.7 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -28.9 | 175.9 | -70.6 | 158.8 | -157.1 | 0 | 0 | 112.4 | R361 H363 Q369 | R361-E365 WeakPolarHBondContact O-CB 3.44Å; R361-E365 VanDerWaalsContact O-CG 3.25Å; R361-E365 WeakPolarHBondContact O-CG 3.17Å; R361-E365 PolarHBondContact O-N 3.29Å; H363-E365 VanDerWaalsContact C-N 3.34Å; H363-E365 PolarHBondContact O-N 3.34Å; E365-Q369 WeakPolarHBondContact O-CB 3.49Å; E365-Q369 VanDerWaalsContact O-CD 3.28Å; E365-Q369 WeakPolarHBondContact O-CG 3.36Å; E365-Q369 PolarHBondContact O-N 3.31Å |
| 366 | I | 87.2 | Confident | 88.2 | Confident | 99 Ų | 99 | 100.9 Ų | 100.9 | 51% | 0.508 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -81.1 | -36.5 | 173.4 | -72.7 | 165.7 | 0 | 0 | 0 | 111.6 | A362 H363 I364 Q369 A370 | A362-I366 WeakPolarHBondContact O-CB 3.07Å; A362-I366 WeakPolarHBondContact O-CD1 3.42Å; A362-I366 WeakPolarHBondContact O-CG1 3.49Å; A362-I366 PolarHBondContact O-N 2.93Å; H363-I366 CarbonylContact O-C 3.59Å; H363-I366 PolarHBondContact O-N 2.75Å; H363-I366 VanDerWaalsContact O-N 3.14Å; I364-I366 PolarHBondContact O-N 3.22Å; I366-Q369 PolarHBondContact O-N 3.32Å; I366-A370 WeakPolarHBondContact O-CB 3.22Å; I366-A370 PolarHBondContact O-N 2.95Å |
| 367 | E | 86.7 | Confident | 88.3 | Confident | 105 Ų | 105 | 101.7 Ų | 101.7 | 49% | 0.491 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -64.5 | -49.6 | 173.2 | -72.3 | 167.1 | 170.6 | 0 | 0 | 110 | H363 I364 Q369 A370 D371 | H363-E367 IonicContact CD2-OE1 2.69Å; H363-E367 WeakPolarHBondContact O-CG 3.37Å; H363-E367 PolarHBondContact O-N 2.68Å; I364-E367 PolarHBondContact O-N 3.38Å; E367-Q369 VanDerWaalsContact C-N 3.27Å; E367-Q369 PolarHBondContact O-N 2.89Å; E367-A370 PolarHBondContact O-N 2.8Å; E367-A370 VanDerWaalsContact O-N 3.08Å; E367-D371 PolarHBondContact O-N 2.75Å |
| 368 | D | 89.6 | Confident | 88.4 | Confident | 84 Ų | 84 | 104.5 Ų | 104.5 | 45% | 0.449 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -56.6 | -37.8 | 172.9 | -70.5 | -22.9 | 0 | 0 | 0 | 111.9 | I364 Q372 | I364-D368 WeakPolarHBondContact O-CB 3.18Å; I364-D368 PolarHBondContact O-N 2.83Å; D368-Q372 WeakPolarHBondContact O-CB 3.4Å; D368-Q372 VanDerWaalsContact O-CG 3.28Å; D368-Q372 WeakPolarHBondContact O-CG 3.48Å; D368-Q372 PolarHBondContact O-N 3.04Å; D368-Q372 VanDerWaalsContact O-N 3.09Å; D368-Q372 PolarHBondContact O-NE2 3.22Å |
| 369 | Q | 88.4 | Confident | 88.2 | Confident | 115 Ų | 115 | 105.6 Ų | 105.6 | 54% | 0.537 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -73.3 | -35.4 | 175.8 | -80.2 | 169.9 | 23.7 | 0 | 0 | 112.8 | E365 I366 E367 L373 | E365-Q369 WeakPolarHBondContact O-CB 3.49Å; E365-Q369 VanDerWaalsContact O-CD 3.28Å; E365-Q369 WeakPolarHBondContact O-CG 3.36Å; E365-Q369 PolarHBondContact O-N 3.31Å; I366-Q369 PolarHBondContact O-N 3.32Å; E367-Q369 VanDerWaalsContact C-N 3.27Å; E367-Q369 PolarHBondContact O-N 2.89Å; Q369-L373 VanDerWaalsContact O-CG 3.31Å; Q369-L373 WeakPolarHBondContact O-CG 3.39Å; Q369-L373 PolarHBondContact O-N 3.13Å |
| 370 | A | 84.9 | Confident | 87.9 | Confident | 49 Ų | 49 | 104.7 Ų | 104.7 | 41% | 0.405 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.5 | -43.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111 | I366 E367 L373 V374 | I366-A370 WeakPolarHBondContact O-CB 3.22Å; I366-A370 PolarHBondContact O-N 2.95Å; E367-A370 PolarHBondContact O-N 2.8Å; E367-A370 VanDerWaalsContact O-N 3.08Å; A370-L373 PolarHBondContact O-N 2.81Å; A370-V374 WeakPolarHBondContact O-CG2 3.36Å; A370-V374 PolarHBondContact O-N 2.84Å |
| 371 | D | 90.7 | Very high | 87.6 | Confident | 106 Ų | 106 | 103.2 Ų | 103.2 | 57% | 0.567 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -63.4 | -43.5 | 175.3 | -75.5 | -10.4 | 0 | 0 | 0 | 111.1 | E367 L373 V374 E375 | E367-D371 PolarHBondContact O-N 2.75Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.35Å; D371-V374 PolarHBondContact O-N 2.66Å; D371-V374 VanDerWaalsContact O-N 3.1Å; D371-E375 PolarHBondContact O-N 3.4Å |
| 372 | Q | 90.4 | Very high | 87.5 | Confident | 107 Ų | 107 | 99.9 Ų | 99.9 | 50% | 0.5 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -59.1 | -36.7 | 171.8 | -80.3 | 166.7 | 78.3 | 0 | 0 | 113.3 | D368 L376 | D368-Q372 WeakPolarHBondContact O-CB 3.4Å; D368-Q372 VanDerWaalsContact O-CG 3.28Å; D368-Q372 WeakPolarHBondContact O-CG 3.48Å; D368-Q372 PolarHBondContact O-N 3.04Å; D368-Q372 VanDerWaalsContact O-N 3.09Å; D368-Q372 PolarHBondContact O-NE2 3.22Å; Q372-L376 WeakPolarHBondContact O-CB 2.83Å; Q372-L376 VanDerWaalsContact O-CG 3.24Å; Q372-L376 WeakPolarHBondContact O-CG 3.42Å; Q372-L376 PolarHBondContact O-N 2.79Å |
| 373 | L | 81.9 | Confident | 87.2 | Confident | 120 Ų | 120 | 101.5 Ų | 101.5 | 63% | 0.628 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -69.6 | -33.7 | 175.4 | -76.5 | 169.1 | 0 | 0 | 0 | 112.2 | Q369 A370 D371 Q377 | Q369-L373 VanDerWaalsContact O-CG 3.31Å; Q369-L373 WeakPolarHBondContact O-CG 3.39Å; Q369-L373 PolarHBondContact O-N 3.13Å; A370-L373 PolarHBondContact O-N 2.81Å; D371-L373 VanDerWaalsContact C-N 3.3Å; D371-L373 PolarHBondContact O-N 3.35Å; L373-Q377 VanDerWaalsContact O-CB 3.31Å; L373-Q377 WeakPolarHBondContact O-CB 2.94Å; L373-Q377 PolarHBondContact O-N 2.87Å |
| 374 | V | 89.6 | Confident | 87.3 | Confident | 80 Ų | 80 | 104.9 Ų | 104.9 | 49% | 0.485 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -68.6 | -46.7 | 172.4 | 174 | 0 | 0 | 0 | 0 | 110.8 | A370 D371 L376 Q377 D378 | A370-V374 WeakPolarHBondContact O-CG2 3.36Å; A370-V374 PolarHBondContact O-N 2.84Å; D371-V374 PolarHBondContact O-N 2.66Å; D371-V374 VanDerWaalsContact O-N 3.1Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 2.94Å; V374-Q377 WeakPolarHBondContact O-CB 3.41Å; V374-Q377 PolarHBondContact O-N 3.23Å; V374-Q377 VanDerWaalsContact O-N 3.08Å; V374-D378 PolarHBondContact O-N 2.89Å |
| 375 | E | 89.2 | Confident | 87 | Confident | 125 Ų | 125 | 106.8 Ų | 106.8 | 58% | 0.584 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -57.9 | -44.3 | 174.9 | -71 | -173.2 | 160 | 0 | 0 | 111.7 | D371 Q377 D378 H379 | D371-E375 PolarHBondContact O-N 3.4Å; E375-Q377 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 2.73Å; E375-D378 PolarHBondContact O-N 2.78Å; E375-H379 WeakPolarHBondContact O-CB 3.37Å; E375-H379 PolarHBondContact O-CD2 3.44Å; E375-H379 PolarHBondContact O-N 2.8Å |
| 376 | L | 83.6 | Confident | 87.1 | Confident | 104 Ų | 104 | 106.7 Ų | 106.7 | 55% | 0.545 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -65.7 | -34 | 175 | -73.7 | 170.7 | 0 | 0 | 0 | 112.8 | Q372 V374 L380 | Q372-L376 WeakPolarHBondContact O-CB 2.83Å; Q372-L376 VanDerWaalsContact O-CG 3.24Å; Q372-L376 WeakPolarHBondContact O-CG 3.42Å; Q372-L376 PolarHBondContact O-N 2.79Å; V374-L376 VanDerWaalsContact C-N 3.33Å; V374-L376 PolarHBondContact O-N 2.94Å; L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 VanDerWaalsContact O-CG 3.29Å; L376-L380 WeakPolarHBondContact O-CG 3.34Å; L376-L380 PolarHBondContact O-N 2.84Å |
| 377 | Q | 86 | Confident | 86.8 | Confident | 139 Ų | 139 | 106.5 Ų | 106.5 | 65% | 0.65 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -69.1 | -41 | 175 | -174.7 | 173.9 | -63.3 | 0 | 0 | 111.7 | L373 V374 E375 L380 F381 | L373-Q377 VanDerWaalsContact O-CB 3.31Å; L373-Q377 WeakPolarHBondContact O-CB 2.94Å; L373-Q377 PolarHBondContact O-N 2.87Å; V374-Q377 WeakPolarHBondContact O-CB 3.41Å; V374-Q377 PolarHBondContact O-N 3.23Å; V374-Q377 VanDerWaalsContact O-N 3.08Å; E375-Q377 VanDerWaalsContact C-N 3.34Å; E375-Q377 PolarHBondContact O-N 2.73Å; Q377-L380 CarbonylContact O-C 3.57Å; Q377-L380 PolarHBondContact O-N 2.8Å; Q377-F381 PolarHBondContact O-N 3.06Å |
| 378 | D | 88.5 | Confident | 86.7 | Confident | 101 Ų | 101 | 105 Ų | 105 | 54% | 0.54 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -69.2 | -38.6 | 176.1 | -80.4 | -7.7 | 0 | 0 | 0 | 111.6 | V374 E375 L380 F381 E382 | V374-D378 PolarHBondContact O-N 2.89Å; E375-D378 PolarHBondContact O-N 2.78Å; D378-L380 VanDerWaalsContact C-N 3.35Å; D378-L380 PolarHBondContact O-N 2.79Å; D378-F381 WeakPolarHBondContact O-CB 2.96Å; D378-F381 PolarHBondContact O-N 3.35Å; D378-F381 VanDerWaalsContact O-N 3.13Å; D378-E382 PolarHBondContact O-N 3.47Å |
| 379 | H | 87.7 | Confident | 86.6 | Confident | 125 Ų | 125 | 105.2 Ų | 105.2 | 58% | 0.579 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -62.6 | -38.8 | 169.4 | -76.5 | -52.6 | 0 | 0 | 0 | 112.5 | E375 F381 T383 | E375-H379 WeakPolarHBondContact O-CB 3.37Å; E375-H379 PolarHBondContact O-CD2 3.44Å; E375-H379 PolarHBondContact O-N 2.8Å; H379-F381 VanDerWaalsContact C-N 3.3Å; H379-T383 WeakPolarHBondContact O-CB 3.29Å; H379-T383 WeakPolarHBondContact O-CG2 3.43Å; H379-T383 PolarHBondContact O-N 3.15Å; H379-T383 PolarHBondContact O-OG1 2.7Å |
| 380 | L | 81.8 | Confident | 86.3 | Confident | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -69.1 | -26.4 | 172.3 | -78.5 | 170.5 | 0 | 0 | 0 | 112.9 | L376 Q377 D378 T383 R384 | L376-L380 WeakPolarHBondContact O-CB 3.44Å; L376-L380 VanDerWaalsContact O-CG 3.29Å; L376-L380 WeakPolarHBondContact O-CG 3.34Å; L376-L380 PolarHBondContact O-N 2.84Å; Q377-L380 CarbonylContact O-C 3.57Å; Q377-L380 PolarHBondContact O-N 2.8Å; D378-L380 VanDerWaalsContact C-N 3.35Å; D378-L380 PolarHBondContact O-N 2.79Å; L380-T383 WeakPolarHBondContact CA-OG1 3.38Å; L380-T383 PolarHBondContact O-OG1 3.29Å; L380-R384 WeakPolarHBondContact O-CB 3.12Å; L380-R384 VanDerWaalsContact O-CD 3.24Å; L380-R384 WeakPolarHBondContact O-CD 3.27Å; L380-R384 WeakPolarHBondContact O-CG 3.31Å; L380-R384 PolarHBondContact O-N 3.45Å |
| 381 | F | 86.4 | Confident | 86.4 | Confident | 138 Ų | 138 | 107.9 Ų | 107.9 | 61% | 0.605 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -75.3 | -47.1 | 173.5 | -174.3 | -94.1 | 0 | 0 | 0 | 111.3 | Q377 D378 H379 R384 R385 | Q377-F381 PolarHBondContact O-N 3.06Å; D378-F381 WeakPolarHBondContact O-CB 2.96Å; D378-F381 PolarHBondContact O-N 3.35Å; D378-F381 VanDerWaalsContact O-N 3.13Å; H379-F381 VanDerWaalsContact C-N 3.3Å; F381-R384 WeakPolarHBondContact O-CB 3.26Å; F381-R384 PolarHBondContact O-N 3.1Å; F381-R385 PolarHBondContact O-N 2.78Å |
| 382 | E | 88.6 | Confident | 86.2 | Confident | 58 Ų | 58 | 107.4 Ų | 107.4 | 27% | 0.271 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -67.7 | -43.6 | -179.8 | -168.7 | 56.5 | -142.6 | 0 | 0 | 111.5 | D378 R384 R385 E386 | D378-E382 PolarHBondContact O-N 3.47Å; E382-R384 VanDerWaalsContact C-N 3.25Å; E382-R384 PolarHBondContact O-N 3Å; E382-R385 VanDerWaalsContact CD-NE 3.26Å; E382-R385 VanDerWaalsContact CD-NH2 3.31Å; E382-R385 CarbonylContact O-C 3.55Å; E382-R385 WeakPolarHBondContact O-CA 3.37Å; E382-R385 VanDerWaalsContact O-CB 3.25Å; E382-R385 WeakPolarHBondContact O-CB 3.39Å; E382-R385 PolarHBondContact O-N 3.49Å; E382-R385 IonicContact OE1-CZ 3.73Å; E382-R385 IonicContact OE1-NE 2.66Å; E382-R385 PolarHBondContact OE1-NE 2.78Å; E382-R385 IonicContact OE1-NH2 3.97Å; E382-R385 PolarHBondContact OE1-NH2 3.49Å; E382-R385 IonicContact OE2-CZ 3.78Å; E382-R385 IonicContact OE2-NE 2.6Å; E382-R385 PolarHBondContact OE2-NE 2.78Å; E382-R385 IonicContact OE2-NH2 3.28Å; E382-R385 PolarHBondContact OE2-NH2 2.8Å; E382-E386 WeakPolarHBondContact O-CG 3.46Å; E382-E386 PolarHBondContact O-N 3.21Å |
| 383 | T | 80.7 | Confident | 86 | Confident | 71 Ų | 71 | 107.4 Ų | 107.4 | 44% | 0.436 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -63.4 | -29.1 | 174 | 52.5 | 0 | 0 | 0 | 0 | 113 | H379 L380 L387 | H379-T383 WeakPolarHBondContact O-CB 3.29Å; H379-T383 WeakPolarHBondContact O-CG2 3.43Å; H379-T383 PolarHBondContact O-N 3.15Å; H379-T383 PolarHBondContact O-OG1 2.7Å; L380-T383 WeakPolarHBondContact CA-OG1 3.38Å; L380-T383 PolarHBondContact O-OG1 3.29Å; T383-L387 WeakPolarHBondContact O-CB 3.28Å; T383-L387 PolarHBondContact O-N 2.95Å |
| 384 | R | 89.8 | Confident | 85.7 | Confident | 182 Ų | 182 | 111.2 Ų | 111.2 | 69% | 0.687 | 53% | 0.529 | S | S | * | . | H | α-helix | trans | -70.1 | -34.7 | 168.2 | -77.5 | 171.7 | -175.3 | -142.7 | 3.4 | 112.2 | L380 F381 E382 S388 | L380-R384 WeakPolarHBondContact O-CB 3.12Å; L380-R384 VanDerWaalsContact O-CD 3.24Å; L380-R384 WeakPolarHBondContact O-CD 3.27Å; L380-R384 WeakPolarHBondContact O-CG 3.31Å; L380-R384 PolarHBondContact O-N 3.45Å; F381-R384 WeakPolarHBondContact O-CB 3.26Å; F381-R384 PolarHBondContact O-N 3.1Å; E382-R384 VanDerWaalsContact C-N 3.25Å; E382-R384 PolarHBondContact O-N 3Å; R384-S388 WeakPolarHBondContact O-CB 3.46Å; R384-S388 PolarHBondContact O-N 2.71Å |
| 385 | R | 86.8 | Confident | 85.5 | Confident | 130 Ų | 130 | 109.6 Ų | 109.6 | 49% | 0.491 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -68.1 | -47.7 | 175.9 | -161.9 | 178.1 | 76.3 | 153.3 | -1.5 | 111.1 | F381 E382 S388 Q389 | F381-R385 PolarHBondContact O-N 2.78Å; E382-R385 VanDerWaalsContact CD-NE 3.26Å; E382-R385 VanDerWaalsContact CD-NH2 3.31Å; E382-R385 CarbonylContact O-C 3.55Å; E382-R385 WeakPolarHBondContact O-CA 3.37Å; E382-R385 VanDerWaalsContact O-CB 3.25Å; E382-R385 WeakPolarHBondContact O-CB 3.39Å; E382-R385 PolarHBondContact O-N 3.49Å; E382-R385 IonicContact OE1-CZ 3.73Å; E382-R385 IonicContact OE1-NE 2.66Å; E382-R385 PolarHBondContact OE1-NE 2.78Å; E382-R385 IonicContact OE1-NH2 3.97Å; E382-R385 PolarHBondContact OE1-NH2 3.49Å; E382-R385 IonicContact OE2-CZ 3.78Å; E382-R385 IonicContact OE2-NE 2.6Å; E382-R385 PolarHBondContact OE2-NE 2.78Å; E382-R385 IonicContact OE2-NH2 3.28Å; E382-R385 PolarHBondContact OE2-NH2 2.8Å; R385-S388 CarbonylContact O-C 3.6Å; R385-S388 WeakPolarHBondContact O-CA 3.39Å; R385-S388 WeakPolarHBondContact O-CB 3.09Å; R385-S388 PolarHBondContact O-N 3.33Å; R385-S388 VanDerWaalsContact O-N 3.12Å; R385-Q389 WeakPolarHBondContact O-CG 3.29Å; R385-Q389 PolarHBondContact O-N 2.87Å |
| 386 | E | 89.6 | Confident | 85.2 | Confident | 98 Ų | 98 | 110.1 Ų | 110.1 | 46% | 0.458 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -57.2 | -49.3 | 171.6 | -68 | 174 | 159.2 | 0 | 0 | 111.1 | E382 S388 Q389 V390 | E382-E386 WeakPolarHBondContact O-CG 3.46Å; E382-E386 PolarHBondContact O-N 3.21Å; E386-S388 PolarHBondContact O-N 2.75Å; E386-Q389 PolarHBondContact O-N 3.45Å; E386-Q389 VanDerWaalsContact O-N 3.09Å; E386-V390 WeakPolarHBondContact O-CG2 3.47Å; E386-V390 PolarHBondContact O-N 2.75Å |
| 387 | L | 82.5 | Confident | 84.9 | Confident | 95 Ų | 95 | 111 Ų | 111 | 50% | 0.497 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60.4 | -31.6 | 175.8 | -177.5 | 65.5 | 0 | 0 | 0 | 112.5 | T383 K391 | T383-L387 WeakPolarHBondContact O-CB 3.28Å; T383-L387 PolarHBondContact O-N 2.95Å; L387-K391 HydrophobicContact CG-CD 4.42Å; L387-K391 WeakPolarHBondContact O-CB 3.33Å; L387-K391 WeakPolarHBondContact O-CD 3.29Å; L387-K391 WeakPolarHBondContact O-CG 3.37Å; L387-K391 PolarHBondContact O-N 2.81Å; L387-K391 VanDerWaalsContact O-N 3.17Å |
| 388 | S | 84.2 | Confident | 84.8 | Confident | 75 Ų | 75 | 106.9 Ų | 106.9 | 52% | 0.524 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.2 | -40.9 | 173.9 | -169.5 | 0 | 0 | 0 | 0 | 111.9 | R384 R385 E386 K391 E392 | R384-S388 WeakPolarHBondContact O-CB 3.46Å; R384-S388 PolarHBondContact O-N 2.71Å; R385-S388 CarbonylContact O-C 3.6Å; R385-S388 WeakPolarHBondContact O-CA 3.39Å; R385-S388 WeakPolarHBondContact O-CB 3.09Å; R385-S388 PolarHBondContact O-N 3.33Å; R385-S388 VanDerWaalsContact O-N 3.12Å; E386-S388 PolarHBondContact O-N 2.75Å; S388-K391 PolarHBondContact O-N 3.04Å; S388-E392 PolarHBondContact O-N 2.84Å |
| 389 | Q | 87.9 | Confident | 84.6 | Confident | 88 Ų | 88 | 107.1 Ų | 107.1 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -63.8 | -50.5 | 174.9 | -71.8 | 171.3 | 5.2 | 0 | 0 | 111 | R385 E386 K391 E392 E393 | R385-Q389 WeakPolarHBondContact O-CG 3.29Å; R385-Q389 PolarHBondContact O-N 2.87Å; E386-Q389 PolarHBondContact O-N 3.45Å; E386-Q389 VanDerWaalsContact O-N 3.09Å; Q389-K391 PolarHBondContact O-N 2.8Å; Q389-E392 CarbonylContact O-C 3.54Å; Q389-E392 WeakPolarHBondContact O-CA 3.45Å; Q389-E392 WeakPolarHBondContact O-CB 3.37Å; Q389-E392 PolarHBondContact O-N 2.87Å; Q389-E393 WeakPolarHBondContact O-CG 3.48Å; Q389-E393 PolarHBondContact O-N 3.43Å |
| 390 | V | 81.8 | Confident | 84.5 | Confident | 88 Ų | 88 | 103.5 Ų | 103.5 | 53% | 0.533 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.8 | -32.2 | 177 | 173.4 | 0 | 0 | 0 | 0 | 112 | E386 R394 | E386-V390 WeakPolarHBondContact O-CG2 3.47Å; E386-V390 PolarHBondContact O-N 2.75Å; V390-R394 WeakPolarHBondContact O-CB 3.47Å; V390-R394 PolarHBondContact O-N 2.79Å |
| 391 | K | 86.6 | Confident | 84.4 | Confident | 132 Ų | 132 | 100.7 Ų | 100.7 | 57% | 0.574 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -69.1 | -40.5 | 171.1 | -79.2 | 169.5 | -176.6 | 172.7 | 0 | 112.5 | L387 S388 Q389 A395 | L387-K391 HydrophobicContact CG-CD 4.42Å; L387-K391 WeakPolarHBondContact O-CB 3.33Å; L387-K391 WeakPolarHBondContact O-CD 3.29Å; L387-K391 WeakPolarHBondContact O-CG 3.37Å; L387-K391 PolarHBondContact O-N 2.81Å; L387-K391 VanDerWaalsContact O-N 3.17Å; S388-K391 PolarHBondContact O-N 3.04Å; Q389-K391 PolarHBondContact O-N 2.8Å; K391-A395 WeakPolarHBondContact O-CB 3.17Å; K391-A395 PolarHBondContact O-N 2.76Å |
| 392 | E | 86.4 | Confident | 84.2 | Confident | 96 Ų | 96 | 101.6 Ų | 101.6 | 45% | 0.449 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.9 | -39.2 | 177.4 | -157.3 | -168.8 | -161.7 | 0 | 0 | 111.8 | S388 Q389 A395 R396 | S388-E392 PolarHBondContact O-N 2.84Å; Q389-E392 CarbonylContact O-C 3.54Å; Q389-E392 WeakPolarHBondContact O-CA 3.45Å; Q389-E392 WeakPolarHBondContact O-CB 3.37Å; Q389-E392 PolarHBondContact O-N 2.87Å; E392-A395 WeakPolarHBondContact O-CB 3.1Å; E392-A395 PolarHBondContact O-N 3.33Å; E392-R396 WeakPolarHBondContact O-CG 3.45Å; E392-R396 PolarHBondContact O-N 2.86Å; E392-R396 IonicContact OE1-CZ 2.67Å; E392-R396 IonicContact OE1-NH1 3.37Å; E392-R396 IonicContact OE1-NH2 3.67Å; E392-R396 PolarHBondContact OE1-NH2 2.77Å; E392-R396 IonicContact OE2-CZ 3.27Å; E392-R396 IonicContact OE2-NH1 2.85Å; E392-R396 PolarHBondContact OE2-NH1 3.11Å; E392-R396 IonicContact OE2-NH2 3.58Å; E392-R396 PolarHBondContact OE2-NH2 3.4Å; E392-R396 VanDerWaalsContact OE2-NH2 3.09Å |
| 393 | E | 86 | Confident | 84 | Confident | 106 Ų | 106 | 102 Ų | 102 | 50% | 0.495 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -66.1 | -43.5 | 171.9 | -70.8 | -177.3 | 161.9 | 0 | 0 | 111.7 | Q389 A395 R396 L397 | Q389-E393 WeakPolarHBondContact O-CG 3.48Å; Q389-E393 PolarHBondContact O-N 3.43Å; E393-A395 VanDerWaalsContact C-N 3.27Å; E393-A395 PolarHBondContact O-N 3.06Å; E393-R396 PolarHBondContact O-N 2.81Å; E393-L397 WeakPolarHBondContact O-CB 3.2Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.41Å; E393-L397 PolarHBondContact O-N 3.45Å |
| 394 | R | 75.9 | Confident | 84 | Confident | 200 Ų | 200 | 101.4 Ų | 101.4 | 76% | 0.755 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -60.3 | -36.5 | 172.5 | -179.5 | 177.7 | 171.7 | -172.1 | -2.7 | 112 | V390 A398 | V390-R394 WeakPolarHBondContact O-CB 3.47Å; V390-R394 PolarHBondContact O-N 2.79Å; R394-A398 WeakPolarHBondContact O-CB 3.21Å; R394-A398 PolarHBondContact O-N 3.05Å |
| 395 | A | 85.3 | Confident | 83.7 | Confident | 47 Ų | 47 | 100.2 Ų | 100.2 | 39% | 0.388 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -51.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111 | K391 E392 E393 L397 A398 D399 | K391-A395 WeakPolarHBondContact O-CB 3.17Å; K391-A395 PolarHBondContact O-N 2.76Å; E392-A395 WeakPolarHBondContact O-CB 3.1Å; E392-A395 PolarHBondContact O-N 3.33Å; E393-A395 VanDerWaalsContact C-N 3.27Å; E393-A395 PolarHBondContact O-N 3.06Å; A395-L397 VanDerWaalsContact C-N 3.26Å; A395-L397 PolarHBondContact O-N 2.94Å; A395-A398 WeakPolarHBondContact O-CB 3.27Å; A395-A398 PolarHBondContact O-N 3.3Å; A395-D399 PolarHBondContact O-N 3.05Å |
| 396 | R | 83.2 | Confident | 83.7 | Confident | 136 Ų | 136 | 98.7 Ų | 98.7 | 51% | 0.513 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -54 | -41.1 | 174.4 | -72.6 | 173.8 | 178.3 | 114.9 | 11.5 | 112.6 | E392 E393 A400 | E392-R396 WeakPolarHBondContact O-CG 3.45Å; E392-R396 PolarHBondContact O-N 2.86Å; E392-R396 IonicContact OE1-CZ 2.67Å; E392-R396 IonicContact OE1-NH1 3.37Å; E392-R396 IonicContact OE1-NH2 3.67Å; E392-R396 PolarHBondContact OE1-NH2 2.77Å; E392-R396 IonicContact OE2-CZ 3.27Å; E392-R396 IonicContact OE2-NH1 2.85Å; E392-R396 PolarHBondContact OE2-NH1 3.11Å; E392-R396 IonicContact OE2-NH2 3.58Å; E392-R396 PolarHBondContact OE2-NH2 3.4Å; E392-R396 VanDerWaalsContact OE2-NH2 3.09Å; E393-R396 PolarHBondContact O-N 2.81Å; R396-A400 WeakPolarHBondContact O-CB 3.43Å; R396-A400 PolarHBondContact O-N 2.8Å |
| 397 | L | 77.8 | Confident | 83.2 | Confident | 123 Ų | 123 | 102.1 Ų | 102.1 | 64% | 0.644 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -71.8 | -33.4 | 177.2 | -71.6 | 170.9 | 0 | 0 | 0 | 112.6 | E393 A395 A401 | E393-L397 WeakPolarHBondContact O-CB 3.2Å; E393-L397 VanDerWaalsContact O-CG 3.27Å; E393-L397 WeakPolarHBondContact O-CG 3.41Å; E393-L397 PolarHBondContact O-N 3.45Å; A395-L397 VanDerWaalsContact C-N 3.26Å; A395-L397 PolarHBondContact O-N 2.94Å; L397-A401 WeakPolarHBondContact O-CB 3.4Å; L397-A401 PolarHBondContact O-N 3.43Å |
| 398 | A | 82.6 | Confident | 83 | Confident | 52 Ų | 52 | 102.1 Ų | 102.1 | 43% | 0.43 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -68.6 | -42.8 | 172.9 | 0 | 0 | 0 | 0 | 0 | 111.6 | R394 A395 A401 Y402 | R394-A398 WeakPolarHBondContact O-CB 3.21Å; R394-A398 PolarHBondContact O-N 3.05Å; A395-A398 WeakPolarHBondContact O-CB 3.27Å; A395-A398 PolarHBondContact O-N 3.3Å; A398-A401 CarbonylContact O-C 3.51Å; A398-A401 PolarHBondContact O-N 2.74Å; A398-Y402 WeakPolarHBondContact O-CB 3.34Å; A398-Y402 PolarHBondContact O-N 3.24Å |
| 399 | D | 85.4 | Confident | 83.1 | Confident | 106 Ų | 106 | 103.5 Ų | 103.5 | 57% | 0.567 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -66.7 | -39.2 | 175.4 | -64.4 | -27.3 | 0 | 0 | 0 | 111.4 | A395 Y402 T403 | A395-D399 PolarHBondContact O-N 3.05Å; D399-Y402 PolarHBondContact O-N 2.78Å; D399-T403 WeakPolarHBondContact O-CB 3.2Å; D399-T403 WeakPolarHBondContact O-CG2 3.28Å; D399-T403 PolarHBondContact O-N 3.49Å; D399-T403 PolarHBondContact O-OG1 3.38Å |
| 400 | A | 85 | Confident | 82.7 | Confident | 48 Ų | 48 | 103.3 Ų | 103.3 | 40% | 0.397 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -41 | 170.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | R396 Y402 T403 A404 | R396-A400 WeakPolarHBondContact O-CB 3.43Å; R396-A400 PolarHBondContact O-N 2.8Å; A400-Y402 VanDerWaalsContact C-N 3.34Å; A400-T403 WeakPolarHBondContact CA-OG1 3.36Å; A400-T403 PolarHBondContact O-OG1 2.81Å; A400-A404 WeakPolarHBondContact O-CB 3.46Å; A400-A404 PolarHBondContact O-N 3.45Å |
| 401 | A | 79.5 | Confident | 82.7 | Confident | 46 Ų | 46 | 102.1 Ų | 102.1 | 38% | 0.38 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -75.3 | -19.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.7 | L397 A398 R405 | L397-A401 WeakPolarHBondContact O-CB 3.4Å; L397-A401 PolarHBondContact O-N 3.43Å; A398-A401 CarbonylContact O-C 3.51Å; A398-A401 PolarHBondContact O-N 2.74Å; A401-R405 PolarHBondContact O-NE 3.27Å; A401-R405 PolarHBondContact O-NH2 2.9Å |
| 402 | Y | 83.4 | Confident | 82.6 | Confident | 157 Ų | 157 | 98.5 Ų | 98.5 | 62% | 0.616 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -77.9 | -50.8 | 168.8 | 177.4 | -95.1 | 0 | 0 | 0 | 110.5 | A398 D399 A400 A404 R405 H406 | A398-Y402 WeakPolarHBondContact O-CB 3.34Å; A398-Y402 PolarHBondContact O-N 3.24Å; D399-Y402 PolarHBondContact O-N 2.78Å; A400-Y402 VanDerWaalsContact C-N 3.34Å; Y402-A404 PolarHBondContact O-N 3.15Å; Y402-R405 PolarHBondContact O-N 3.46Å; Y402-H406 PolarHBondContact O-N 2.78Å |
| 403 | T | 83.9 | Confident | 82.3 | Confident | 65 Ų | 65 | 96.1 Ų | 96.1 | 40% | 0.399 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.7 | -37 | 178.2 | 49.6 | 0 | 0 | 0 | 0 | 112.6 | D399 A400 R405 H406 W407 | D399-T403 WeakPolarHBondContact O-CB 3.2Å; D399-T403 WeakPolarHBondContact O-CG2 3.28Å; D399-T403 PolarHBondContact O-N 3.49Å; D399-T403 PolarHBondContact O-OG1 3.38Å; A400-T403 WeakPolarHBondContact CA-OG1 3.36Å; A400-T403 PolarHBondContact O-OG1 2.81Å; T403-R405 VanDerWaalsContact C-N 3.33Å; T403-R405 PolarHBondContact O-N 2.79Å; T403-H406 PolarHBondContact O-N 2.81Å; T403-W407 PolarHBondContact O-N 2.78Å |
| 404 | A | 80.7 | Confident | 82 | Confident | 59 Ų | 59 | 95.5 Ų | 95.5 | 49% | 0.488 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.8 | -35.5 | 173 | 0 | 0 | 0 | 0 | 0 | 112.7 | A400 Y402 Q408 | A400-A404 WeakPolarHBondContact O-CB 3.46Å; A400-A404 PolarHBondContact O-N 3.45Å; Y402-A404 PolarHBondContact O-N 3.15Å; A404-Q408 WeakPolarHBondContact O-CB 3.47Å; A404-Q408 PolarHBondContact O-N 2.72Å |
| 405 | R | 83.5 | Confident | 82.4 | Confident | 158 Ų | 158 | 91.3 Ų | 91.3 | 60% | 0.596 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -67.7 | -46.2 | 171.2 | -87.1 | 178.1 | -72.1 | 169.3 | -1.8 | 111.5 | A401 Y402 T403 W407 Q408 D409 | A401-R405 PolarHBondContact O-NE 3.27Å; A401-R405 PolarHBondContact O-NH2 2.9Å; Y402-R405 PolarHBondContact O-N 3.46Å; T403-R405 VanDerWaalsContact C-N 3.33Å; T403-R405 PolarHBondContact O-N 2.79Å; R405-W407 VanDerWaalsContact C-N 3.29Å; R405-W407 PolarHBondContact O-N 3.03Å; R405-Q408 CarbonylContact O-C 3.55Å; R405-Q408 WeakPolarHBondContact O-CA 3.19Å; R405-Q408 WeakPolarHBondContact O-CB 3.37Å; R405-Q408 PolarHBondContact O-N 2.75Å; R405-D409 PolarHBondContact O-N 3.3Å |
| 406 | H | 87.1 | Confident | 82 | Confident | 98 Ų | 98 | 94.6 Ų | 94.6 | 45% | 0.454 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -57.5 | -41.2 | 175 | 179.4 | 24.7 | 0 | 0 | 0 | 112.5 | Y402 T403 D409 E410 | Y402-H406 PolarHBondContact O-N 2.78Å; T403-H406 PolarHBondContact O-N 2.81Å; H406-D409 PolarHBondContact O-N 2.7Å; H406-E410 WeakPolarHBondContact O-CB 3.32Å; H406-E410 PolarHBondContact O-N 2.79Å |
| 407 | W | 79 | Confident | 81.8 | Confident | 170 Ų | 170 | 91.1 Ų | 91.1 | 64% | 0.644 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69 | -32.4 | 173.9 | -73.2 | 121.7 | 0 | 0 | 0 | 113.3 | T403 R405 V411 | T403-W407 PolarHBondContact O-N 2.78Å; R405-W407 VanDerWaalsContact C-N 3.29Å; R405-W407 PolarHBondContact O-N 3.03Å; W407-V411 VanDerWaalsContact O-CB 3.24Å; W407-V411 WeakPolarHBondContact O-CB 3.31Å; W407-V411 WeakPolarHBondContact O-CG2 3.36Å; W407-V411 PolarHBondContact O-N 3.01Å |
| 408 | Q | 78.8 | Confident | 81.9 | Confident | 95 Ų | 95 | 87.8 Ų | 87.8 | 44% | 0.444 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -67.1 | -45.9 | 172.3 | -178.3 | 63.7 | 42.2 | 0 | 0 | 111.1 | A404 R405 E410 V411 D412 | A404-Q408 WeakPolarHBondContact O-CB 3.47Å; A404-Q408 PolarHBondContact O-N 2.72Å; R405-Q408 CarbonylContact O-C 3.55Å; R405-Q408 WeakPolarHBondContact O-CA 3.19Å; R405-Q408 WeakPolarHBondContact O-CB 3.37Å; R405-Q408 PolarHBondContact O-N 2.75Å; Q408-E410 VanDerWaalsContact C-N 3.34Å; Q408-E410 PolarHBondContact O-N 3.41Å; Q408-V411 PolarHBondContact O-N 3.43Å; Q408-D412 VanDerWaalsContact NE2-CG 3.33Å; Q408-D412 PolarHBondContact NE2-OD1 3.33Å; Q408-D412 PolarHBondContact NE2-OD2 3.27Å; Q408-D412 WeakPolarHBondContact O-CB 3.41Å; Q408-D412 PolarHBondContact O-N 2.86Å |
| 409 | D | 86.4 | Confident | 82 | Confident | 104 Ų | 104 | 91.2 Ų | 91.2 | 56% | 0.556 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -60.4 | -43.6 | 176.2 | -61.4 | -35.3 | 0 | 0 | 0 | 111 | R405 H406 D412 A413 | R405-D409 PolarHBondContact O-N 3.3Å; H406-D409 PolarHBondContact O-N 2.7Å; D409-D412 PolarHBondContact O-N 2.76Å; D409-A413 WeakPolarHBondContact O-CB 3.44Å; D409-A413 PolarHBondContact O-N 3.28Å |
| 410 | E | 79.1 | Confident | 81.8 | Confident | 83 Ų | 83 | 92.8 Ų | 92.8 | 39% | 0.388 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.3 | -42 | 175 | -173.3 | 68.1 | -168.7 | 0 | 0 | 111.4 | H406 Q408 D412 A413 L414 | H406-E410 WeakPolarHBondContact O-CB 3.32Å; H406-E410 PolarHBondContact O-N 2.79Å; Q408-E410 VanDerWaalsContact C-N 3.34Å; Q408-E410 PolarHBondContact O-N 3.41Å; E410-D412 VanDerWaalsContact C-N 3.34Å; E410-D412 PolarHBondContact O-N 3Å; E410-A413 PolarHBondContact O-N 2.81Å; E410-L414 HydrophobicContact CG-CD1 4.23Å; E410-L414 WeakPolarHBondContact O-CB 3.33Å; E410-L414 VanDerWaalsContact O-CG 3.22Å; E410-L414 WeakPolarHBondContact O-CG 3.31Å; E410-L414 PolarHBondContact O-N 3.36Å |
| 411 | V | 81.6 | Confident | 81.7 | Confident | 64 Ų | 64 | 93.9 Ų | 93.9 | 39% | 0.388 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -63.8 | -37.5 | 174.8 | 159.8 | 0 | 0 | 0 | 0 | 111.7 | W407 Q408 L414 K415 | W407-V411 VanDerWaalsContact O-CB 3.24Å; W407-V411 WeakPolarHBondContact O-CB 3.31Å; W407-V411 WeakPolarHBondContact O-CG2 3.36Å; W407-V411 PolarHBondContact O-N 3.01Å; Q408-V411 PolarHBondContact O-N 3.43Å; V411-L414 PolarHBondContact O-N 3.34Å; V411-K415 WeakPolarHBondContact O-CG 3.33Å; V411-K415 PolarHBondContact O-N 3.2Å |
| 412 | D | 84.1 | Confident | 82 | Confident | 56 Ų | 56 | 96.8 Ų | 96.8 | 30% | 0.299 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -76.7 | -31.6 | 178.1 | -69.9 | -28.2 | 0 | 0 | 0 | 112.1 | Q408 D409 E410 K415 Q416 | Q408-D412 VanDerWaalsContact NE2-CG 3.33Å; Q408-D412 PolarHBondContact NE2-OD1 3.33Å; Q408-D412 PolarHBondContact NE2-OD2 3.27Å; Q408-D412 WeakPolarHBondContact O-CB 3.41Å; Q408-D412 PolarHBondContact O-N 2.86Å; D409-D412 PolarHBondContact O-N 2.76Å; E410-D412 VanDerWaalsContact C-N 3.34Å; E410-D412 PolarHBondContact O-N 3Å; D412-K415 PolarHBondContact O-N 2.87Å; D412-K415 WeakPolarHBondContact OD1-CD 3.23Å; D412-K415 WeakPolarHBondContact OD1-CE 3.35Å; D412-K415 IonicContact OD1-NZ 2.67Å; D412-K415 PolarHBondContact OD1-NZ 2.91Å; D412-Q416 WeakPolarHBondContact O-CG 3.48Å; D412-Q416 PolarHBondContact O-N 3.45Å |
| 413 | A | 80.9 | Confident | 82 | Confident | 45 Ų | 45 | 93.9 Ų | 93.9 | 37% | 0.372 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.5 | -38.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | D409 E410 Q416 T417 | D409-A413 WeakPolarHBondContact O-CB 3.44Å; D409-A413 PolarHBondContact O-N 3.28Å; E410-A413 PolarHBondContact O-N 2.81Å; A413-Q416 PolarHBondContact O-N 2.98Å; A413-T417 WeakPolarHBondContact O-CG2 3.44Å; A413-T417 PolarHBondContact O-N 3.3Å; A413-T417 PolarHBondContact O-OG1 3.06Å |
| 414 | L | 78.1 | Confident | 81.8 | Confident | 94 Ų | 94 | 94.7 Ų | 94.7 | 49% | 0.492 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.6 | -35.5 | 173.7 | -73.9 | 170.5 | 0 | 0 | 0 | 112 | E410 V411 T417 A418 | E410-L414 HydrophobicContact CG-CD1 4.23Å; E410-L414 WeakPolarHBondContact O-CB 3.33Å; E410-L414 VanDerWaalsContact O-CG 3.22Å; E410-L414 WeakPolarHBondContact O-CG 3.31Å; E410-L414 PolarHBondContact O-N 3.36Å; V411-L414 PolarHBondContact O-N 3.34Å; L414-T417 VanDerWaalsContact CA-OG1 3.3Å; L414-T417 WeakPolarHBondContact CA-OG1 3.37Å; L414-T417 PolarHBondContact O-N 3.13Å; L414-T417 PolarHBondContact O-OG1 3.32Å; L414-T417 VanDerWaalsContact O-OG1 3.09Å; L414-A418 VanDerWaalsContact O-CB 3.29Å; L414-A418 WeakPolarHBondContact O-CB 3.39Å; L414-A418 PolarHBondContact O-N 3.29Å |
| 415 | K | 85.2 | Confident | 81.8 | Confident | 111 Ų | 111 | 97.4 Ų | 97.4 | 48% | 0.483 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -63.6 | -49.1 | 169.3 | -71.9 | 168.7 | -162.2 | 159.3 | 0 | 111.7 | V411 D412 T417 A418 E419 | V411-K415 WeakPolarHBondContact O-CG 3.33Å; V411-K415 PolarHBondContact O-N 3.2Å; D412-K415 PolarHBondContact O-N 2.87Å; D412-K415 WeakPolarHBondContact OD1-CD 3.23Å; D412-K415 WeakPolarHBondContact OD1-CE 3.35Å; D412-K415 IonicContact OD1-NZ 2.67Å; D412-K415 PolarHBondContact OD1-NZ 2.91Å; K415-T417 VanDerWaalsContact C-N 3.26Å; K415-T417 PolarHBondContact O-N 2.93Å; K415-A418 PolarHBondContact O-N 3.33Å; K415-E419 WeakPolarHBondContact O-CB 3.37Å; K415-E419 PolarHBondContact O-N 2.85Å |
| 416 | Q | 76.6 | Confident | 81.8 | Confident | 116 Ų | 116 | 92 Ų | 92 | 54% | 0.542 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -62.8 | -31 | 178.2 | -73.2 | -178.5 | 30.6 | 0 | 0 | 113 | D412 A413 R420 | D412-Q416 WeakPolarHBondContact O-CG 3.48Å; D412-Q416 PolarHBondContact O-N 3.45Å; A413-Q416 PolarHBondContact O-N 2.98Å; Q416-R420 VanDerWaalsContact O-CB 3.26Å; Q416-R420 WeakPolarHBondContact O-CB 3.23Å; Q416-R420 PolarHBondContact O-N 2.98Å; Q416-R420 VanDerWaalsContact O-N 3.07Å |
| 417 | T | 79.5 | Confident | 81.5 | Confident | 64 Ų | 64 | 92.4 Ų | 92.4 | 39% | 0.393 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -78.5 | -37.1 | 173.9 | 47.6 | 0 | 0 | 0 | 0 | 112.3 | A413 L414 K415 R420 V421 | A413-T417 WeakPolarHBondContact O-CG2 3.44Å; A413-T417 PolarHBondContact O-N 3.3Å; A413-T417 PolarHBondContact O-OG1 3.06Å; L414-T417 VanDerWaalsContact CA-OG1 3.3Å; L414-T417 WeakPolarHBondContact CA-OG1 3.37Å; L414-T417 PolarHBondContact O-N 3.13Å; L414-T417 PolarHBondContact O-OG1 3.32Å; L414-T417 VanDerWaalsContact O-OG1 3.09Å; K415-T417 VanDerWaalsContact C-N 3.26Å; K415-T417 PolarHBondContact O-N 2.93Å; T417-R420 CarbonylContact O-C 3.4Å; T417-R420 PolarHBondContact O-N 3.5Å; T417-V421 WeakPolarHBondContact O-CG2 3.44Å; T417-V421 PolarHBondContact O-N 3Å |
| 418 | A | 79.3 | Confident | 81.2 | Confident | 52 Ų | 52 | 88.4 Ų | 88.4 | 43% | 0.43 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -63.4 | -43.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 112.2 | L414 K415 R420 V421 I422 | L414-A418 VanDerWaalsContact O-CB 3.29Å; L414-A418 WeakPolarHBondContact O-CB 3.39Å; L414-A418 PolarHBondContact O-N 3.29Å; K415-A418 PolarHBondContact O-N 3.33Å; A418-R420 VanDerWaalsContact C-N 3.32Å; A418-R420 PolarHBondContact O-N 2.84Å; A418-V421 WeakPolarHBondContact O-CB 3.4Å; A418-V421 PolarHBondContact O-N 3.43Å; A418-V421 VanDerWaalsContact O-N 3.15Å; A418-I422 WeakPolarHBondContact O-CG1 3.14Å; A418-I422 PolarHBondContact O-N 3.01Å |
| 419 | E | 84.9 | Confident | 81.5 | Confident | 124 Ų | 124 | 88.7 Ų | 88.7 | 58% | 0.579 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -62.5 | -39.3 | 172.8 | -177.1 | 176.9 | -164.7 | 0 | 0 | 111.5 | K415 V421 I422 N423 | K415-E419 WeakPolarHBondContact O-CB 3.37Å; K415-E419 PolarHBondContact O-N 2.85Å; E419-V421 VanDerWaalsContact C-N 3.34Å; E419-V421 PolarHBondContact O-N 3.4Å; E419-I422 PolarHBondContact O-N 2.71Å; E419-N423 WeakPolarHBondContact O-CB 3.36Å; E419-N423 PolarHBondContact O-N 2.88Å; E419-N423 PolarHBondContact O-ND2 2.72Å |
| 420 | R | 82.2 | Confident | 81.6 | Confident | 139 Ų | 139 | 90.4 Ų | 90.4 | 53% | 0.525 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65 | -35.6 | 172.7 | -172 | 176.6 | -67.5 | 106 | 1.1 | 112.2 | Q416 T417 A418 L424 | Q416-R420 VanDerWaalsContact O-CB 3.26Å; Q416-R420 WeakPolarHBondContact O-CB 3.23Å; Q416-R420 PolarHBondContact O-N 2.98Å; Q416-R420 VanDerWaalsContact O-N 3.07Å; T417-R420 CarbonylContact O-C 3.4Å; T417-R420 PolarHBondContact O-N 3.5Å; A418-R420 VanDerWaalsContact C-N 3.32Å; A418-R420 PolarHBondContact O-N 2.84Å; R420-L424 HydrophobicContact CG-CD1 4.08Å; R420-L424 WeakPolarHBondContact O-CB 3.17Å; R420-L424 WeakPolarHBondContact O-CD1 3.4Å; R420-L424 WeakPolarHBondContact O-CG 3.24Å; R420-L424 PolarHBondContact O-N 2.71Å |
| 421 | V | 81.8 | Confident | 81.6 | Confident | 72 Ų | 72 | 91.2 Ų | 91.2 | 44% | 0.436 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -65.2 | -49.7 | 173.1 | 167.7 | 0 | 0 | 0 | 0 | 110.7 | T417 A418 E419 N423 L424 E425 | T417-V421 WeakPolarHBondContact O-CG2 3.44Å; T417-V421 PolarHBondContact O-N 3Å; A418-V421 WeakPolarHBondContact O-CB 3.4Å; A418-V421 PolarHBondContact O-N 3.43Å; A418-V421 VanDerWaalsContact O-N 3.15Å; E419-V421 VanDerWaalsContact C-N 3.34Å; E419-V421 PolarHBondContact O-N 3.4Å; V421-N423 VanDerWaalsContact C-N 3.28Å; V421-N423 PolarHBondContact O-N 2.92Å; V421-L424 CarbonylContact O-C 3.58Å; V421-L424 WeakPolarHBondContact O-CA 3.18Å; V421-L424 PolarHBondContact O-N 2.94Å; V421-E425 HydrophobicContact CG1-CG 4.24Å; V421-E425 WeakPolarHBondContact O-CG 3.32Å; V421-E425 PolarHBondContact O-N 3.35Å |
| 422 | I | 85.2 | Confident | 81.7 | Confident | 106 Ų | 106 | 92.7 Ų | 92.7 | 54% | 0.544 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -57.8 | -41.4 | 177.5 | -67 | 164.6 | 0 | 0 | 0 | 111.2 | A418 E419 E425 A426 | A418-I422 WeakPolarHBondContact O-CG1 3.14Å; A418-I422 PolarHBondContact O-N 3.01Å; E419-I422 PolarHBondContact O-N 2.71Å; I422-E425 PolarHBondContact O-N 2.72Å; I422-A426 WeakPolarHBondContact O-CB 3.28Å; I422-A426 PolarHBondContact O-N 2.82Å |
| 423 | N | 84.7 | Confident | 81.8 | Confident | 96 Ų | 96 | 96.3 Ų | 96.3 | 51% | 0.513 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -39.8 | 175.1 | -78.1 | -61.1 | 0 | 0 | 0 | 112.6 | E419 V421 A426 E427 | E419-N423 WeakPolarHBondContact O-CB 3.36Å; E419-N423 PolarHBondContact O-N 2.88Å; E419-N423 PolarHBondContact O-ND2 2.72Å; V421-N423 VanDerWaalsContact C-N 3.28Å; V421-N423 PolarHBondContact O-N 2.92Å; N423-A426 PolarHBondContact O-N 3.45Å; N423-E427 WeakPolarHBondContact O-CB 3.33Å; N423-E427 PolarHBondContact O-N 3.3Å |
| 424 | L | 78.6 | Confident | 81.7 | Confident | 83 Ų | 83 | 101.2 Ų | 101.2 | 44% | 0.435 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.1 | -27.8 | 175.3 | -74.2 | 168.5 | 0 | 0 | 0 | 113.1 | R420 V421 N428 | R420-L424 HydrophobicContact CG-CD1 4.08Å; R420-L424 WeakPolarHBondContact O-CB 3.17Å; R420-L424 WeakPolarHBondContact O-CD1 3.4Å; R420-L424 WeakPolarHBondContact O-CG 3.24Å; R420-L424 PolarHBondContact O-N 2.71Å; V421-L424 CarbonylContact O-C 3.58Å; V421-L424 WeakPolarHBondContact O-CA 3.18Å; V421-L424 PolarHBondContact O-N 2.94Å; L424-N428 WeakPolarHBondContact O-CB 3.42Å; L424-N428 PolarHBondContact O-N 3.17Å; L424-N428 PolarHBondContact O-ND2 2.8Å |
| 425 | E | 82 | Confident | 81.7 | Confident | 116 Ų | 116 | 101.5 Ų | 101.5 | 54% | 0.542 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -70.3 | -46.1 | 171 | -73.6 | 174.9 | 161.8 | 0 | 0 | 110.4 | V421 I422 E427 N428 E429 | V421-E425 HydrophobicContact CG1-CG 4.24Å; V421-E425 WeakPolarHBondContact O-CG 3.32Å; V421-E425 PolarHBondContact O-N 3.35Å; I422-E425 PolarHBondContact O-N 2.72Å; E425-E427 VanDerWaalsContact C-N 3.3Å; E425-E427 PolarHBondContact O-N 2.78Å; E425-N428 WeakPolarHBondContact O-CB 3.15Å; E425-N428 PolarHBondContact O-N 3.44Å; E425-N428 VanDerWaalsContact O-N 3.14Å; E425-E429 PolarHBondContact O-N 3.42Å |
| 426 | A | 82.3 | Confident | 81.6 | Confident | 44 Ų | 44 | 102.2 Ų | 102.2 | 36% | 0.364 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -65.9 | -29.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 113.2 | I422 N423 K430 | I422-A426 WeakPolarHBondContact O-CB 3.28Å; I422-A426 PolarHBondContact O-N 2.82Å; N423-A426 PolarHBondContact O-N 3.45Å; A426-K430 WeakPolarHBondContact O-CD 3.45Å; A426-K430 VanDerWaalsContact O-CG 3.32Å; A426-K430 WeakPolarHBondContact O-CG 3.29Å; A426-K430 PolarHBondContact O-N 3.08Å |
| 427 | E | 82.2 | Confident | 82.2 | Confident | 106 Ų | 106 | 100.6 Ų | 100.6 | 50% | 0.495 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -73.5 | -39 | 169.5 | -171.7 | 169.1 | -150.9 | 0 | 0 | 111.4 | N423 E425 E429 K430 L431 | N423-E427 WeakPolarHBondContact O-CB 3.33Å; N423-E427 PolarHBondContact O-N 3.3Å; E425-E427 VanDerWaalsContact C-N 3.3Å; E425-E427 PolarHBondContact O-N 2.78Å; E427-E429 PolarHBondContact O-N 2.98Å; E427-K430 PolarHBondContact O-N 3.48Å; E427-L431 HydrophobicContact CG-CD1 4.14Å; E427-L431 WeakPolarHBondContact O-CB 3.46Å; E427-L431 VanDerWaalsContact O-CG 3.3Å; E427-L431 WeakPolarHBondContact O-CG 3.49Å; E427-L431 PolarHBondContact O-N 3.3Å |
| 428 | N | 71.2 | Confident | 82.1 | Confident | 86 Ų | 86 | 102.3 Ų | 102.3 | 46% | 0.46 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.8 | -43.3 | 173.3 | -96.9 | -90.4 | 0 | 0 | 0 | 112.5 | L424 E425 L431 K432 | L424-N428 WeakPolarHBondContact O-CB 3.42Å; L424-N428 PolarHBondContact O-N 3.17Å; L424-N428 PolarHBondContact O-ND2 2.8Å; E425-N428 WeakPolarHBondContact O-CB 3.15Å; E425-N428 PolarHBondContact O-N 3.44Å; E425-N428 VanDerWaalsContact O-N 3.14Å; N428-L431 PolarHBondContact O-N 2.71Å; N428-K432 WeakPolarHBondContact O-CG 3.18Å; N428-K432 PolarHBondContact O-N 3.42Å |
| 429 | E | 86.4 | Confident | 82.4 | Confident | 102 Ų | 102 | 103.1 Ų | 103.1 | 48% | 0.477 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.4 | -44.2 | 175.8 | -67.4 | -52.2 | 140.9 | 0 | 0 | 111.6 | E425 E427 L431 K432 E433 | E425-E429 PolarHBondContact O-N 3.42Å; E427-E429 PolarHBondContact O-N 2.98Å; E429-L431 VanDerWaalsContact C-N 3.28Å; E429-L431 PolarHBondContact O-N 2.95Å; E429-K432 WeakPolarHBondContact O-CB 3.27Å; E429-K432 PolarHBondContact O-N 2.7Å; E429-K432 VanDerWaalsContact O-N 3.12Å; E429-K432 IonicContact OE1-NZ 2.69Å; E429-K432 PolarHBondContact OE1-NZ 2.72Å; E429-K432 WeakPolarHBondContact OE2-CD 3.36Å; E429-K432 IonicContact OE2-NZ 2.78Å; E429-E433 WeakPolarHBondContact O-CG 3.32Å; E429-E433 PolarHBondContact O-N 3.09Å |
| 430 | K | 87.9 | Confident | 82.6 | Confident | 139 Ų | 139 | 103.4 Ų | 103.4 | 60% | 0.604 | 50% | 0.495 | S | S | * | . | H | α-helix | trans | -60.7 | -36.6 | 173.7 | -68.7 | 165.7 | -171.1 | 166.7 | 0 | 112.5 | A426 E427 R434 | A426-K430 WeakPolarHBondContact O-CD 3.45Å; A426-K430 VanDerWaalsContact O-CG 3.32Å; A426-K430 WeakPolarHBondContact O-CG 3.29Å; A426-K430 PolarHBondContact O-N 3.08Å; E427-K430 PolarHBondContact O-N 3.48Å; K430-R434 VanDerWaalsContact O-CB 3.26Å; K430-R434 WeakPolarHBondContact O-CB 3.36Å; K430-R434 PolarHBondContact O-N 3.49Å |
| 431 | L | 79 | Confident | 82.7 | Confident | 101 Ų | 101 | 103.6 Ų | 103.6 | 53% | 0.529 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.9 | -32.7 | 175.6 | -72.1 | 171.2 | 0 | 0 | 0 | 112.3 | E427 N428 E429 R434 L435 | E427-L431 HydrophobicContact CG-CD1 4.14Å; E427-L431 WeakPolarHBondContact O-CB 3.46Å; E427-L431 VanDerWaalsContact O-CG 3.3Å; E427-L431 WeakPolarHBondContact O-CG 3.49Å; E427-L431 PolarHBondContact O-N 3.3Å; N428-L431 PolarHBondContact O-N 2.71Å; E429-L431 VanDerWaalsContact C-N 3.28Å; E429-L431 PolarHBondContact O-N 2.95Å; L431-R434 PolarHBondContact O-N 2.96Å; L431-L435 VanDerWaalsContact O-CB 3.26Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 3.06Å |
| 432 | K | 84.8 | Confident | 82.6 | Confident | 95 Ų | 95 | 105.7 Ų | 105.7 | 41% | 0.413 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67 | -46.8 | 170.2 | -69.1 | 168.3 | -167.6 | 173.4 | 0 | 111.4 | N428 E429 R434 L435 H436 | N428-K432 WeakPolarHBondContact O-CG 3.18Å; N428-K432 PolarHBondContact O-N 3.42Å; E429-K432 WeakPolarHBondContact O-CB 3.27Å; E429-K432 PolarHBondContact O-N 2.7Å; E429-K432 VanDerWaalsContact O-N 3.12Å; E429-K432 IonicContact OE1-NZ 2.69Å; E429-K432 PolarHBondContact OE1-NZ 2.72Å; E429-K432 WeakPolarHBondContact OE2-CD 3.36Å; E429-K432 IonicContact OE2-NZ 2.78Å; K432-R434 VanDerWaalsContact C-N 3.29Å; K432-R434 PolarHBondContact O-N 2.69Å; K432-L435 PolarHBondContact O-N 2.9Å; K432-L435 VanDerWaalsContact O-N 3.17Å; K432-H436 PolarHBondContact O-CD2 3.49Å; K432-H436 PolarHBondContact O-N 3.2Å |
| 433 | E | 84.3 | Confident | 82.6 | Confident | 131 Ų | 131 | 103.1 Ų | 103.1 | 61% | 0.612 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -54.7 | -47.6 | 172.5 | -71.6 | 178.8 | 155.9 | 0 | 0 | 110.5 | E429 L435 H436 E437 | E429-E433 WeakPolarHBondContact O-CG 3.32Å; E429-E433 PolarHBondContact O-N 3.09Å; E433-L435 VanDerWaalsContact C-N 3.35Å; E433-L435 PolarHBondContact O-N 2.72Å; E433-H436 PolarHBondContact O-N 3.08Å; E433-E437 PolarHBondContact O-N 2.83Å |
| 434 | R | 79.8 | Confident | 83 | Confident | 148 Ų | 148 | 104.2 Ų | 104.2 | 56% | 0.558 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -66.4 | -33.2 | 178.3 | -164.6 | 56.1 | 158.7 | -169.7 | -4.5 | 113.3 | K430 L431 K432 E437 I438 | K430-R434 VanDerWaalsContact O-CB 3.26Å; K430-R434 WeakPolarHBondContact O-CB 3.36Å; K430-R434 PolarHBondContact O-N 3.49Å; L431-R434 PolarHBondContact O-N 2.96Å; K432-R434 VanDerWaalsContact C-N 3.29Å; K432-R434 PolarHBondContact O-N 2.69Å; R434-E437 WeakPolarHBondContact CD-OE2 3.44Å; R434-E437 IonicContact CZ-OE2 2.63Å; R434-E437 IonicContact NE-OE2 3.18Å; R434-E437 IonicContact NH1-OE2 2.72Å; R434-E437 PolarHBondContact NH1-OE2 3.36Å; R434-E437 PolarHBondContact O-N 3.34Å; R434-I438 HydrophobicContact CG-CD1 4.38Å; R434-I438 WeakPolarHBondContact O-CD1 3.39Å; R434-I438 VanDerWaalsContact O-CG1 3.24Å; R434-I438 WeakPolarHBondContact O-CG1 3.34Å; R434-I438 PolarHBondContact O-N 2.88Å |
| 435 | L | 76.9 | Confident | 82.7 | Confident | 100 Ų | 100 | 103.9 Ų | 103.9 | 52% | 0.524 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -70.4 | -39.9 | 173.8 | -168.7 | 126.3 | 0 | 0 | 0 | 111.2 | L431 K432 E433 I438 D439 | L431-L435 VanDerWaalsContact O-CB 3.26Å; L431-L435 WeakPolarHBondContact O-CB 3.41Å; L431-L435 PolarHBondContact O-N 3.06Å; K432-L435 PolarHBondContact O-N 2.9Å; K432-L435 VanDerWaalsContact O-N 3.17Å; E433-L435 VanDerWaalsContact C-N 3.35Å; E433-L435 PolarHBondContact O-N 2.72Å; L435-I438 PolarHBondContact O-N 3.32Å; L435-D439 PolarHBondContact O-N 3.03Å |
| 436 | H | 84.7 | Confident | 82.8 | Confident | 127 Ų | 127 | 103.3 Ų | 103.3 | 59% | 0.588 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.3 | -37.3 | 171.8 | -68.3 | -42.3 | 0 | 0 | 0 | 112.6 | K432 E433 Y440 | K432-H436 PolarHBondContact O-CD2 3.49Å; K432-H436 PolarHBondContact O-N 3.2Å; E433-H436 PolarHBondContact O-N 3.08Å; H436-Y440 WeakPolarHBondContact O-CB 3.19Å; H436-Y440 PolarHBondContact O-N 2.89Å |
| 437 | E | 88 | Confident | 82.8 | Confident | 82 Ų | 82 | 106.2 Ų | 106.2 | 38% | 0.383 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.8 | -45.9 | 168.9 | -73.2 | -173 | 141.1 | 0 | 0 | 111.5 | E433 R434 Y440 Y441 | E433-E437 PolarHBondContact O-N 2.83Å; R434-E437 WeakPolarHBondContact CD-OE2 3.44Å; R434-E437 IonicContact CZ-OE2 2.63Å; R434-E437 IonicContact NE-OE2 3.18Å; R434-E437 IonicContact NH1-OE2 2.72Å; R434-E437 PolarHBondContact NH1-OE2 3.36Å; R434-E437 PolarHBondContact O-N 3.34Å; E437-Y440 WeakPolarHBondContact O-CB 3.12Å; E437-Y440 PolarHBondContact O-N 3.49Å; E437-Y441 HydrophobicContact CB-CD2 4.47Å; E437-Y441 HydrophobicContact CB-CE2 4.31Å; E437-Y441 WeakPolarHBondContact O-CD2 3.19Å; E437-Y441 PolarHBondContact O-N 3.39Å |
| 438 | I | 79 | Confident | 82.7 | Confident | 99 Ų | 99 | 104.9 Ų | 104.9 | 51% | 0.508 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -64.2 | -42.8 | 179.5 | -72.2 | 164.6 | 0 | 0 | 0 | 111.3 | R434 L435 Y441 K442 | R434-I438 HydrophobicContact CG-CD1 4.38Å; R434-I438 WeakPolarHBondContact O-CD1 3.39Å; R434-I438 VanDerWaalsContact O-CG1 3.24Å; R434-I438 WeakPolarHBondContact O-CG1 3.34Å; R434-I438 PolarHBondContact O-N 2.88Å; L435-I438 PolarHBondContact O-N 3.32Å; I438-Y441 PolarHBondContact O-N 2.78Å; I438-K442 WeakPolarHBondContact O-CB 3.46Å; I438-K442 PolarHBondContact O-N 3.47Å |
| 439 | D | 84.1 | Confident | 83.4 | Confident | 69 Ų | 69 | 105 Ų | 105 | 37% | 0.369 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -67.6 | -34.2 | 174.9 | -83 | -37.5 | 0 | 0 | 0 | 111.9 | L435 K442 A443 | L435-D439 PolarHBondContact O-N 3.03Å; D439-K442 PolarHBondContact O-N 3.05Å; D439-K442 IonicContact OD1-NZ 3.41Å; D439-A443 WeakPolarHBondContact O-CB 3.42Å; D439-A443 PolarHBondContact O-N 2.79Å |
| 440 | Y | 90 | Very high | 83.4 | Confident | 131 Ų | 131 | 105.6 Ų | 105.6 | 51% | 0.514 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -62 | -48.8 | 169.6 | 174.7 | -92.8 | 0 | 0 | 0 | 111.7 | H436 E437 K442 A443 R444 | H436-Y440 WeakPolarHBondContact O-CB 3.19Å; H436-Y440 PolarHBondContact O-N 2.89Å; E437-Y440 WeakPolarHBondContact O-CB 3.12Å; E437-Y440 PolarHBondContact O-N 3.49Å; Y440-K442 VanDerWaalsContact C-N 3.3Å; Y440-K442 PolarHBondContact O-N 2.76Å; Y440-A443 PolarHBondContact O-N 2.82Å; Y440-R444 VanDerWaalsContact O-CB 3.25Å; Y440-R444 WeakPolarHBondContact O-CB 3.42Å; Y440-R444 PolarHBondContact O-N 3.23Å |
| 441 | Y | 84.3 | Confident | 83.4 | Confident | 142 Ų | 142 | 102 Ų | 102 | 56% | 0.557 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -65.6 | -33.9 | 177.5 | -73 | -61.2 | 0 | 0 | 0 | 112.2 | E437 I438 R444 C445 | E437-Y441 HydrophobicContact CB-CD2 4.47Å; E437-Y441 HydrophobicContact CB-CE2 4.31Å; E437-Y441 WeakPolarHBondContact O-CD2 3.19Å; E437-Y441 PolarHBondContact O-N 3.39Å; I438-Y441 PolarHBondContact O-N 2.78Å; Y441-R444 PolarHBondContact O-N 2.82Å; Y441-C445 WeakPolarHBondContact O-CB 3.48Å; Y441-C445 PolarHBondContact O-N 2.78Å; Y441-C445 PolarHBondContact O-SG 3.45Å |
| 442 | K | 80.4 | Confident | 83.6 | Confident | 117 Ų | 117 | 102.8 Ų | 102.8 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.7 | -48.4 | 174.5 | 179.2 | -175.6 | 168.9 | -164.9 | 0 | 111.5 | I438 D439 Y440 R444 C445 Q446 | I438-K442 WeakPolarHBondContact O-CB 3.46Å; I438-K442 PolarHBondContact O-N 3.47Å; D439-K442 PolarHBondContact O-N 3.05Å; D439-K442 IonicContact OD1-NZ 3.41Å; Y440-K442 VanDerWaalsContact C-N 3.3Å; Y440-K442 PolarHBondContact O-N 2.76Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.47Å; K442-C445 PolarHBondContact O-N 3.48Å; K442-Q446 WeakPolarHBondContact O-CG 3.39Å; K442-Q446 PolarHBondContact O-N 3.48Å |
| 443 | A | 84.6 | Confident | 83.8 | Confident | 52 Ų | 52 | 104.1 Ų | 104.1 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.7 | -40.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 111.5 | D439 Y440 C445 Q446 Q447 | D439-A443 WeakPolarHBondContact O-CB 3.42Å; D439-A443 PolarHBondContact O-N 2.79Å; Y440-A443 PolarHBondContact O-N 2.82Å; A443-C445 PolarHBondContact O-N 2.72Å; A443-Q446 PolarHBondContact O-N 3.34Å; A443-Q447 WeakPolarHBondContact O-CB 3.45Å; A443-Q447 PolarHBondContact O-N 2.77Å |
| 444 | R | 91.7 | Very high | 84 | Confident | 118 Ų | 118 | 102.5 Ų | 102.5 | 45% | 0.445 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -62.8 | -40 | 174.3 | -173.4 | 65.3 | -177.3 | -122.8 | 8.4 | 112.4 | Y440 Y441 K442 L448 | Y440-R444 VanDerWaalsContact O-CB 3.25Å; Y440-R444 WeakPolarHBondContact O-CB 3.42Å; Y440-R444 PolarHBondContact O-N 3.23Å; Y441-R444 PolarHBondContact O-N 2.82Å; K442-R444 VanDerWaalsContact C-N 3.3Å; K442-R444 PolarHBondContact O-N 3.47Å; R444-L448 HydrophobicContact CG-CD1 4.22Å; R444-L448 WeakPolarHBondContact O-CB 2.98Å; R444-L448 VanDerWaalsContact O-CG 3.24Å; R444-L448 WeakPolarHBondContact O-CG 3.33Å; R444-L448 PolarHBondContact O-N 3.29Å |
| 445 | C | 73.9 | Confident | 84.2 | Confident | 76 Ų | 76 | 100 Ų | 100 | 51% | 0.514 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -71.2 | -35.4 | 174.9 | -74.6 | 0 | 0 | 0 | 0 | 112.5 | Y441 K442 A443 T449 | Y441-C445 WeakPolarHBondContact O-CB 3.48Å; Y441-C445 PolarHBondContact O-N 2.78Å; Y441-C445 PolarHBondContact O-SG 3.45Å; K442-C445 PolarHBondContact O-N 3.48Å; A443-C445 PolarHBondContact O-N 2.72Å; C445-T449 WeakPolarHBondContact O-CB 3.17Å; C445-T449 PolarHBondContact O-N 2.72Å; C445-T449 PolarHBondContact O-OG1 2.85Å |
| 446 | Q | 83.2 | Confident | 84.5 | Confident | 104 Ų | 104 | 99 Ų | 99 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -51.2 | 172.6 | -72.2 | 177.1 | -84 | 0 | 0 | 110.3 | K442 A443 L448 T449 E450 | K442-Q446 WeakPolarHBondContact O-CG 3.39Å; K442-Q446 PolarHBondContact O-N 3.48Å; A443-Q446 PolarHBondContact O-N 3.34Å; Q446-L448 VanDerWaalsContact C-N 3.35Å; Q446-L448 PolarHBondContact O-N 3.17Å; Q446-T449 CarbonylContact O-C 3.57Å; Q446-T449 WeakPolarHBondContact O-CA 3.33Å; Q446-T449 WeakPolarHBondContact O-CB 3.47Å; Q446-T449 PolarHBondContact O-N 3.1Å; Q446-E450 WeakPolarHBondContact O-CG 3.21Å; Q446-E450 PolarHBondContact O-N 2.74Å |
| 447 | Q | 82.2 | Confident | 84.6 | Confident | 105 Ų | 105 | 96.8 Ų | 96.8 | 49% | 0.491 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -55.9 | -46.9 | 174.7 | -174.2 | -179.3 | 8.5 | 0 | 0 | 111.8 | A443 T449 E450 D451 | A443-Q447 WeakPolarHBondContact O-CB 3.45Å; A443-Q447 PolarHBondContact O-N 2.77Å; Q447-T449 PolarHBondContact O-N 2.72Å; Q447-E450 PolarHBondContact O-N 2.98Å; Q447-D451 WeakPolarHBondContact O-CB 3.48Å; Q447-D451 PolarHBondContact O-N 2.72Å |
| 448 | L | 81.3 | Confident | 84.4 | Confident | 79 Ų | 79 | 97.3 Ų | 97.3 | 41% | 0.414 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.1 | -23.8 | 176.5 | -74 | 170.4 | 0 | 0 | 0 | 113.4 | R444 Q446 L452 | R444-L448 HydrophobicContact CG-CD1 4.22Å; R444-L448 WeakPolarHBondContact O-CB 2.98Å; R444-L448 VanDerWaalsContact O-CG 3.24Å; R444-L448 WeakPolarHBondContact O-CG 3.33Å; R444-L448 PolarHBondContact O-N 3.29Å; Q446-L448 VanDerWaalsContact C-N 3.35Å; Q446-L448 PolarHBondContact O-N 3.17Å; L448-L452 VanDerWaalsContact O-CB 3.31Å; L448-L452 WeakPolarHBondContact O-CB 3.35Å; L448-L452 WeakPolarHBondContact O-CD1 3.45Å; L448-L452 WeakPolarHBondContact O-CG 3.34Å; L448-L452 PolarHBondContact O-N 3.15Å; L448-L452 VanDerWaalsContact O-N 3.11Å |
| 449 | T | 85.9 | Confident | 84.7 | Confident | 87 Ų | 87 | 99.6 Ų | 99.6 | 53% | 0.534 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.7 | -41.1 | 173.4 | -55.2 | 0 | 0 | 0 | 0 | 110.6 | C445 Q446 Q447 L452 E453 | C445-T449 WeakPolarHBondContact O-CB 3.17Å; C445-T449 PolarHBondContact O-N 2.72Å; C445-T449 PolarHBondContact O-OG1 2.85Å; Q446-T449 CarbonylContact O-C 3.57Å; Q446-T449 WeakPolarHBondContact O-CA 3.33Å; Q446-T449 WeakPolarHBondContact O-CB 3.47Å; Q446-T449 PolarHBondContact O-N 3.1Å; Q447-T449 PolarHBondContact O-N 2.72Å; T449-L452 PolarHBondContact O-N 2.91Å; T449-E453 WeakPolarHBondContact O-CB 3.39Å; T449-E453 PolarHBondContact O-N 3.29Å |
| 450 | E | 84.9 | Confident | 84.6 | Confident | 115 Ų | 115 | 99.2 Ų | 99.2 | 54% | 0.537 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.2 | -45 | 172.8 | -69.7 | 166.5 | -158 | 0 | 0 | 110.9 | Q446 Q447 L452 E453 I454 | Q446-E450 WeakPolarHBondContact O-CG 3.21Å; Q446-E450 PolarHBondContact O-N 2.74Å; Q447-E450 PolarHBondContact O-N 2.98Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 3.35Å; E450-E453 PolarHBondContact O-N 2.96Å; E450-I454 WeakPolarHBondContact O-CB 3.48Å; E450-I454 WeakPolarHBondContact O-CD1 3.47Å; E450-I454 VanDerWaalsContact O-CG1 3.23Å; E450-I454 WeakPolarHBondContact O-CG1 3.15Å; E450-I454 PolarHBondContact O-N 3.5Å |
| 451 | D | 88.2 | Confident | 84.4 | Confident | 65 Ų | 65 | 97.7 Ų | 97.7 | 35% | 0.348 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -58.9 | -42.7 | 173.4 | -69.2 | -29.7 | 0 | 0 | 0 | 111.2 | Q447 L455 | Q447-D451 WeakPolarHBondContact O-CB 3.48Å; Q447-D451 PolarHBondContact O-N 2.72Å; D451-L455 WeakPolarHBondContact O-CB 3.39Å; D451-L455 VanDerWaalsContact O-CG 3.24Å; D451-L455 WeakPolarHBondContact O-CG 3.47Å; D451-L455 PolarHBondContact O-N 2.82Å |
| 452 | L | 82.6 | Confident | 84.4 | Confident | 117 Ų | 117 | 98.6 Ų | 98.6 | 61% | 0.613 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -69.9 | -35 | 176.4 | -78.3 | 170.4 | 0 | 0 | 0 | 112.9 | L448 T449 E450 S456 | L448-L452 VanDerWaalsContact O-CB 3.31Å; L448-L452 WeakPolarHBondContact O-CB 3.35Å; L448-L452 WeakPolarHBondContact O-CD1 3.45Å; L448-L452 WeakPolarHBondContact O-CG 3.34Å; L448-L452 PolarHBondContact O-N 3.15Å; L448-L452 VanDerWaalsContact O-N 3.11Å; T449-L452 PolarHBondContact O-N 2.91Å; E450-L452 VanDerWaalsContact C-N 3.34Å; E450-L452 PolarHBondContact O-N 3.35Å; L452-S456 WeakPolarHBondContact O-CB 3.4Å; L452-S456 PolarHBondContact O-N 3.45Å |
| 453 | E | 89.8 | Confident | 84.4 | Confident | 123 Ų | 123 | 95.5 Ų | 95.5 | 58% | 0.575 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.8 | -40.7 | 174.4 | -177.6 | 168.4 | -177.6 | 0 | 0 | 111 | T449 E450 S456 N457 | T449-E453 WeakPolarHBondContact O-CB 3.39Å; T449-E453 PolarHBondContact O-N 3.29Å; E450-E453 PolarHBondContact O-N 2.96Å; E453-S456 PolarHBondContact O-N 3.25Å; E453-N457 VanDerWaalsContact O-CB 3.31Å; E453-N457 WeakPolarHBondContact O-CB 3.13Å; E453-N457 VanDerWaalsContact O-CG 3.26Å; E453-N457 PolarHBondContact O-N 3.35Å; E453-N457 PolarHBondContact O-ND2 2.8Å |
| 454 | I | 87.7 | Confident | 84.4 | Confident | 96 Ų | 96 | 97 Ų | 97 | 49% | 0.492 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.1 | -51.7 | 171.6 | -69.5 | 162.8 | 0 | 0 | 0 | 110 | E450 S456 N457 E458 | E450-I454 WeakPolarHBondContact O-CB 3.48Å; E450-I454 WeakPolarHBondContact O-CD1 3.47Å; E450-I454 VanDerWaalsContact O-CG1 3.23Å; E450-I454 WeakPolarHBondContact O-CG1 3.15Å; E450-I454 PolarHBondContact O-N 3.5Å; I454-S456 VanDerWaalsContact C-N 3.31Å; I454-S456 PolarHBondContact O-N 2.81Å; I454-N457 PolarHBondContact O-N 3.33Å; I454-N457 VanDerWaalsContact O-N 3.16Å; I454-E458 WeakPolarHBondContact O-CG 3.26Å; I454-E458 PolarHBondContact O-N 2.93Å |
| 455 | L | 84.2 | Confident | 83.9 | Confident | 95 Ų | 95 | 95.5 Ų | 95.5 | 50% | 0.497 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.3 | -35.7 | 178.1 | -73.9 | 168.8 | 0 | 0 | 0 | 112.6 | D451 H459 | D451-L455 WeakPolarHBondContact O-CB 3.39Å; D451-L455 VanDerWaalsContact O-CG 3.24Å; D451-L455 WeakPolarHBondContact O-CG 3.47Å; D451-L455 PolarHBondContact O-N 2.82Å; L455-H459 WeakPolarHBondContact O-CB 3.44Å; L455-H459 PolarHBondContact O-N 3.46Å |
| 456 | S | 84.4 | Confident | 84.3 | Confident | 79 Ų | 79 | 97.2 Ų | 97.2 | 55% | 0.552 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -68.5 | -39.7 | 174.4 | -172.2 | 0 | 0 | 0 | 0 | 112 | L452 E453 I454 H459 S460 | L452-S456 WeakPolarHBondContact O-CB 3.4Å; L452-S456 PolarHBondContact O-N 3.45Å; E453-S456 PolarHBondContact O-N 3.25Å; I454-S456 VanDerWaalsContact C-N 3.31Å; I454-S456 PolarHBondContact O-N 2.81Å; S456-H459 PolarHBondContact O-N 3.17Å; S456-S460 PolarHBondContact O-N 2.63Å |
| 457 | N | 86.3 | Confident | 84.4 | Confident | 82 Ų | 82 | 98.8 Ų | 98.8 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -69.1 | -37.4 | 175.3 | -76.6 | -46.1 | 0 | 0 | 0 | 111.6 | E453 I454 S460 Q461 | E453-N457 VanDerWaalsContact O-CB 3.31Å; E453-N457 WeakPolarHBondContact O-CB 3.13Å; E453-N457 VanDerWaalsContact O-CG 3.26Å; E453-N457 PolarHBondContact O-N 3.35Å; E453-N457 PolarHBondContact O-ND2 2.8Å; I454-N457 PolarHBondContact O-N 3.33Å; I454-N457 VanDerWaalsContact O-N 3.16Å; N457-S460 PolarHBondContact O-N 2.66Å; N457-Q461 WeakPolarHBondContact O-CB 3.32Å; N457-Q461 VanDerWaalsContact O-CG 3.31Å; N457-Q461 WeakPolarHBondContact O-CG 3.47Å; N457-Q461 PolarHBondContact O-N 2.68Å |
| 458 | E | 84.8 | Confident | 84.5 | Confident | 92 Ų | 92 | 97.9 Ų | 97.9 | 43% | 0.43 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.5 | -45.3 | 170 | -73.9 | -171.4 | 169.8 | 0 | 0 | 111.2 | I454 S460 Q461 W462 | I454-E458 WeakPolarHBondContact O-CG 3.26Å; I454-E458 PolarHBondContact O-N 2.93Å; E458-S460 VanDerWaalsContact C-N 3.33Å; E458-S460 PolarHBondContact O-N 2.7Å; E458-Q461 CarbonylContact O-C 3.58Å; E458-Q461 PolarHBondContact O-N 2.9Å; E458-W462 PolarHBondContact O-N 3.16Å |
| 459 | H | 83.8 | Confident | 84.7 | Confident | 147 Ų | 147 | 97.3 Ų | 97.3 | 68% | 0.681 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -61.8 | -39.8 | 176.3 | -115.8 | -63.2 | 0 | 0 | 0 | 112.4 | L455 S456 W462 A463 | L455-H459 WeakPolarHBondContact O-CB 3.44Å; L455-H459 PolarHBondContact O-N 3.46Å; S456-H459 PolarHBondContact O-N 3.17Å; H459-W462 PolarHBondContact O-N 3.46Å; H459-A463 WeakPolarHBondContact O-CB 3.32Å; H459-A463 PolarHBondContact O-N 2.95Å |
| 460 | S | 83.5 | Confident | 84.5 | Confident | 62 Ų | 62 | 99.6 Ų | 99.6 | 43% | 0.434 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.3 | -48.1 | 172.4 | -163.9 | 0 | 0 | 0 | 0 | 110.8 | S456 N457 E458 W462 A463 D464 | S456-S460 PolarHBondContact O-N 2.63Å; N457-S460 PolarHBondContact O-N 2.66Å; E458-S460 VanDerWaalsContact C-N 3.33Å; E458-S460 PolarHBondContact O-N 2.7Å; S460-W462 VanDerWaalsContact C-N 3.26Å; S460-W462 PolarHBondContact O-N 3.2Å; S460-A463 WeakPolarHBondContact O-CB 3.19Å; S460-A463 PolarHBondContact O-N 3.01Å; S460-A463 VanDerWaalsContact O-N 3.1Å; S460-D464 PolarHBondContact O-N 3.21Å |
| 461 | Q | 85.8 | Confident | 84.5 | Confident | 99 Ų | 99 | 100.6 Ų | 100.6 | 46% | 0.463 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.1 | -31.3 | 176.2 | -74.2 | 177.4 | 44.3 | 0 | 0 | 113.3 | N457 E458 K465 | N457-Q461 WeakPolarHBondContact O-CB 3.32Å; N457-Q461 VanDerWaalsContact O-CG 3.31Å; N457-Q461 WeakPolarHBondContact O-CG 3.47Å; N457-Q461 PolarHBondContact O-N 2.68Å; E458-Q461 CarbonylContact O-C 3.58Å; E458-Q461 PolarHBondContact O-N 2.9Å; Q461-K465 WeakPolarHBondContact O-CB 3.26Å; Q461-K465 WeakPolarHBondContact O-CD 3.16Å; Q461-K465 WeakPolarHBondContact O-CE 3.35Å; Q461-K465 WeakPolarHBondContact O-CG 3.45Å; Q461-K465 PolarHBondContact O-N 2.82Å |
| 462 | W | 82.5 | Confident | 84.3 | Confident | 160 Ų | 160 | 104.4 Ų | 104.4 | 61% | 0.606 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -72.7 | -38.8 | 173.5 | -75.5 | 118.2 | 0 | 0 | 0 | 111.6 | E458 H459 S460 K465 E466 | E458-W462 PolarHBondContact O-N 3.16Å; H459-W462 PolarHBondContact O-N 3.46Å; S460-W462 VanDerWaalsContact C-N 3.26Å; S460-W462 PolarHBondContact O-N 3.2Å; W462-K465 HydrophobicContact CD2-CD 4.44Å; W462-K465 HydrophobicContact CE3-CD 3.86Å; W462-K465 HydrophobicContact CZ3-CD 4.09Å; W462-K465 PolarHBondContact O-N 3.3Å; W462-E466 WeakPolarHBondContact O-CB 3.34Å; W462-E466 PolarHBondContact O-N 3.17Å |
| 463 | A | 81.3 | Confident | 84.3 | Confident | 53 Ų | 53 | 104.5 Ų | 104.5 | 44% | 0.438 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.2 | -45.2 | 172.3 | 0 | 0 | 0 | 0 | 0 | 112 | H459 S460 K465 E466 E467 | H459-A463 WeakPolarHBondContact O-CB 3.32Å; H459-A463 PolarHBondContact O-N 2.95Å; S460-A463 WeakPolarHBondContact O-CB 3.19Å; S460-A463 PolarHBondContact O-N 3.01Å; S460-A463 VanDerWaalsContact O-N 3.1Å; A463-K465 VanDerWaalsContact C-N 3.33Å; A463-K465 PolarHBondContact O-N 3.33Å; A463-E466 PolarHBondContact O-N 2.84Å; A463-E466 VanDerWaalsContact O-N 3.12Å; A463-E467 PolarHBondContact O-N 3.37Å |
| 464 | D | 83.9 | Confident | 84.1 | Confident | 82 Ų | 82 | 104.4 Ų | 104.4 | 44% | 0.439 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 175 | -61 | -28.7 | 0 | 0 | 0 | 110.9 | S460 I468 | S460-D464 PolarHBondContact O-N 3.21Å; D464-I468 WeakPolarHBondContact O-CB 3.21Å; D464-I468 WeakPolarHBondContact O-CD1 3.5Å; D464-I468 WeakPolarHBondContact O-CG1 3.23Å; D464-I468 PolarHBondContact O-N 2.96Å |
| 465 | K | 81.6 | Confident | 84.1 | Confident | 88 Ų | 88 | 106.3 Ų | 106.3 | 38% | 0.383 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 174.1 | -73.5 | 160.3 | -159 | 157.4 | 0 | 111.5 | Q461 W462 A463 I468 T469 | Q461-K465 WeakPolarHBondContact O-CB 3.26Å; Q461-K465 WeakPolarHBondContact O-CD 3.16Å; Q461-K465 WeakPolarHBondContact O-CE 3.35Å; Q461-K465 WeakPolarHBondContact O-CG 3.45Å; Q461-K465 PolarHBondContact O-N 2.82Å; W462-K465 HydrophobicContact CD2-CD 4.44Å; W462-K465 HydrophobicContact CE3-CD 3.86Å; W462-K465 HydrophobicContact CZ3-CD 4.09Å; W462-K465 PolarHBondContact O-N 3.3Å; A463-K465 VanDerWaalsContact C-N 3.33Å; A463-K465 PolarHBondContact O-N 3.33Å; K465-I468 PolarHBondContact O-N 3.17Å; K465-T469 WeakPolarHBondContact O-CG2 3.24Å; K465-T469 PolarHBondContact O-N 3.38Å; K465-T469 PolarHBondContact O-OG1 2.79Å |
| 466 | E | 81.7 | Confident | 84.2 | Confident | 112 Ų | 112 | 105.7 Ų | 105.7 | 52% | 0.523 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 179 | -172.3 | 170.1 | 177.6 | 0 | 0 | 110.9 | W462 A463 I468 T469 Y470 | W462-E466 WeakPolarHBondContact O-CB 3.34Å; W462-E466 PolarHBondContact O-N 3.17Å; A463-E466 PolarHBondContact O-N 2.84Å; A463-E466 VanDerWaalsContact O-N 3.12Å; E466-I468 PolarHBondContact O-N 2.75Å; E466-T469 WeakPolarHBondContact CA-OG1 3.12Å; E466-T469 CarbonylContact O-C 3.55Å; E466-T469 WeakPolarHBondContact O-CA 3.16Å; E466-T469 PolarHBondContact O-N 3.27Å; E466-T469 PolarHBondContact O-OG1 2.7Å; E466-Y470 HydrophobicContact CG-CD2 3.95Å; E466-Y470 HydrophobicContact CG-CE2 3.86Å; E466-Y470 WeakPolarHBondContact O-CD2 3.16Å; E466-Y470 PolarHBondContact O-N 3.02Å |
| 467 | E | 85.6 | Confident | 84.3 | Confident | 137 Ų | 137 | 104.9 Ų | 104.9 | 64% | 0.64 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -59.4 | -44.2 | 174.4 | -174.5 | 163.1 | -147.1 | 0 | 0 | 111.5 | A463 T469 Y470 E471 | A463-E467 PolarHBondContact O-N 3.37Å; E467-T469 VanDerWaalsContact C-N 3.31Å; E467-T469 PolarHBondContact O-N 3.15Å; E467-Y470 CarbonylContact O-C 3.55Å; E467-Y470 WeakPolarHBondContact O-CA 3.47Å; E467-Y470 WeakPolarHBondContact O-CB 3.48Å; E467-Y470 PolarHBondContact O-N 3.22Å; E467-Y470 VanDerWaalsContact O-N 3.08Å; E467-E471 PolarHBondContact O-N 2.72Å |
| 468 | I | 85.6 | Confident | 84.4 | Confident | 86 Ų | 86 | 105 Ų | 105 | 44% | 0.441 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -58.9 | -40.2 | 172 | -72.3 | 166.1 | 0 | 0 | 0 | 111.4 | D464 K465 E466 E471 Y472 | D464-I468 WeakPolarHBondContact O-CB 3.21Å; D464-I468 WeakPolarHBondContact O-CD1 3.5Å; D464-I468 WeakPolarHBondContact O-CG1 3.23Å; D464-I468 PolarHBondContact O-N 2.96Å; K465-I468 PolarHBondContact O-N 3.17Å; E466-I468 PolarHBondContact O-N 2.75Å; I468-E471 PolarHBondContact O-N 3.4Å; I468-Y472 HydrophobicContact CG2-CD2 3.68Å; I468-Y472 HydrophobicContact CG2-CE2 3.54Å; I468-Y472 WeakPolarHBondContact O-CD2 3.44Å; I468-Y472 PolarHBondContact O-N 2.75Å |
| 469 | T | 83.7 | Confident | 84.3 | Confident | 67 Ų | 67 | 106 Ų | 106 | 41% | 0.411 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -32.7 | 174 | 58.7 | 0 | 0 | 0 | 0 | 113.2 | K465 E466 E467 Y472 H473 | K465-T469 WeakPolarHBondContact O-CG2 3.24Å; K465-T469 PolarHBondContact O-N 3.38Å; K465-T469 PolarHBondContact O-OG1 2.79Å; E466-T469 WeakPolarHBondContact CA-OG1 3.12Å; E466-T469 CarbonylContact O-C 3.55Å; E466-T469 WeakPolarHBondContact O-CA 3.16Å; E466-T469 PolarHBondContact O-N 3.27Å; E466-T469 PolarHBondContact O-OG1 2.7Å; E467-T469 VanDerWaalsContact C-N 3.31Å; E467-T469 PolarHBondContact O-N 3.15Å; T469-Y472 PolarHBondContact O-N 3.39Å; T469-H473 WeakPolarHBondContact O-CB 3.23Å; T469-H473 PolarHBondContact O-CD2 3.29Å; T469-H473 PolarHBondContact O-N 3.13Å |
| 470 | Y | 82.9 | Confident | 84.4 | Confident | 134 Ų | 134 | 104.7 Ų | 104.7 | 53% | 0.525 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -65.6 | -40.2 | 171.3 | -91.3 | -79 | 0 | 0 | 0 | 111.9 | E466 E467 H473 H474 | E466-Y470 HydrophobicContact CG-CD2 3.95Å; E466-Y470 HydrophobicContact CG-CE2 3.86Å; E466-Y470 WeakPolarHBondContact O-CD2 3.16Å; E466-Y470 PolarHBondContact O-N 3.02Å; E467-Y470 CarbonylContact O-C 3.55Å; E467-Y470 WeakPolarHBondContact O-CA 3.47Å; E467-Y470 WeakPolarHBondContact O-CB 3.48Å; E467-Y470 PolarHBondContact O-N 3.22Å; E467-Y470 VanDerWaalsContact O-N 3.08Å; Y470-H473 PolarHBondContact O-N 3.35Å; Y470-H474 WeakPolarHBondContact O-CB 2.98Å; Y470-H474 PolarHBondContact O-N 2.87Å; Y470-H474 PolarHBondContact O-ND1 3.39Å |
| 471 | E | 84.2 | Confident | 84.5 | Confident | 136 Ų | 136 | 107.3 Ų | 107.3 | 64% | 0.636 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.9 | -47.2 | 171.4 | -72.1 | -155.8 | 144.1 | 0 | 0 | 111.5 | E467 I468 H473 H474 K475 | E467-E471 PolarHBondContact O-N 2.72Å; I468-E471 PolarHBondContact O-N 3.4Å; E471-H473 PolarHBondContact O-N 3.35Å; E471-H474 PolarHBondContact O-N 2.88Å; E471-K475 VanDerWaalsContact O-CB 3.25Å; E471-K475 WeakPolarHBondContact O-CB 3.4Å; E471-K475 PolarHBondContact O-N 2.69Å |
| 472 | Y | 83.8 | Confident | 84.5 | Confident | 145 Ų | 145 | 107.2 Ų | 107.2 | 57% | 0.569 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -61.3 | -41.8 | 176.2 | -83.5 | -63.9 | 0 | 0 | 0 | 112 | I468 T469 K475 I476 | I468-Y472 HydrophobicContact CG2-CD2 3.68Å; I468-Y472 HydrophobicContact CG2-CE2 3.54Å; I468-Y472 WeakPolarHBondContact O-CD2 3.44Å; I468-Y472 PolarHBondContact O-N 2.75Å; T469-Y472 PolarHBondContact O-N 3.39Å; Y472-K475 PolarHBondContact O-N 3.06Å; Y472-I476 WeakPolarHBondContact O-CB 3.46Å; Y472-I476 VanDerWaalsContact O-CG1 3.25Å; Y472-I476 WeakPolarHBondContact O-CG1 3.32Å; Y472-I476 PolarHBondContact O-N 2.75Å |
| 473 | H | 84.1 | Confident | 84.3 | Confident | 119 Ų | 119 | 103.6 Ų | 103.6 | 55% | 0.551 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -66.7 | -40.8 | 176.4 | -82.8 | -57.3 | 0 | 0 | 0 | 112.7 | T469 Y470 E471 K475 I476 T477 | T469-H473 WeakPolarHBondContact O-CB 3.23Å; T469-H473 PolarHBondContact O-CD2 3.29Å; T469-H473 PolarHBondContact O-N 3.13Å; Y470-H473 PolarHBondContact O-N 3.35Å; E471-H473 PolarHBondContact O-N 3.35Å; H473-K475 VanDerWaalsContact C-N 3.34Å; H473-I476 PolarHBondContact O-N 2.7Å; H473-T477 WeakPolarHBondContact O-CB 3.38Å; H473-T477 PolarHBondContact O-N 2.73Å; H473-T477 PolarHBondContact O-OG1 2.66Å |
| 474 | H | 84 | Confident | 84.6 | Confident | 121 Ų | 121 | 105.7 Ų | 105.7 | 56% | 0.56 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -60.4 | -45.5 | 171.7 | -83.1 | 77.7 | 0 | 0 | 0 | 111.2 | Y470 E471 I476 T477 D478 | Y470-H474 WeakPolarHBondContact O-CB 2.98Å; Y470-H474 PolarHBondContact O-N 2.87Å; Y470-H474 PolarHBondContact O-ND1 3.39Å; E471-H474 PolarHBondContact O-N 2.88Å; H474-I476 PolarHBondContact O-N 3.2Å; H474-T477 CarbonylContact O-C 3.59Å; H474-T477 WeakPolarHBondContact O-CB 3.39Å; H474-T477 PolarHBondContact O-N 2.83Å; H474-T477 VanDerWaalsContact O-N 3.16Å; H474-D478 PolarHBondContact O-N 2.79Å |
| 475 | K | 89.2 | Confident | 84.8 | Confident | 136 Ų | 136 | 106.4 Ų | 106.4 | 59% | 0.591 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -65.9 | -38.1 | -180 | -167.2 | 171.2 | -172.4 | 170.6 | 0 | 112.9 | E471 Y472 H473 L479 | E471-K475 VanDerWaalsContact O-CB 3.25Å; E471-K475 WeakPolarHBondContact O-CB 3.4Å; E471-K475 PolarHBondContact O-N 2.69Å; Y472-K475 PolarHBondContact O-N 3.06Å; H473-K475 VanDerWaalsContact C-N 3.34Å; K475-L479 HydrophobicContact CG-CD1 4.41Å; K475-L479 WeakPolarHBondContact O-CB 3.46Å; K475-L479 WeakPolarHBondContact O-CG 3.41Å; K475-L479 PolarHBondContact O-N 3.26Å |
| 476 | I | 85.3 | Confident | 84.8 | Confident | 83 Ų | 83 | 105.7 Ų | 105.7 | 43% | 0.426 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -62.8 | -48.1 | 170.1 | -71.6 | 163.7 | 0 | 0 | 0 | 109.6 | Y472 H473 H474 D478 L479 E480 | Y472-I476 WeakPolarHBondContact O-CB 3.46Å; Y472-I476 VanDerWaalsContact O-CG1 3.25Å; Y472-I476 WeakPolarHBondContact O-CG1 3.32Å; Y472-I476 PolarHBondContact O-N 2.75Å; H473-I476 PolarHBondContact O-N 2.7Å; H474-I476 PolarHBondContact O-N 3.2Å; I476-D478 VanDerWaalsContact C-N 3.3Å; I476-D478 PolarHBondContact O-N 2.8Å; I476-L479 CarbonylContact O-C 3.59Å; I476-L479 PolarHBondContact O-N 2.87Å; I476-E480 HydrophobicContact CG2-CG 4.39Å; I476-E480 WeakPolarHBondContact O-CB 3.42Å; I476-E480 WeakPolarHBondContact O-CG 3.36Å; I476-E480 PolarHBondContact O-N 2.93Å |
| 477 | T | 87.8 | Confident | 85.2 | Confident | 62 Ų | 62 | 107.6 Ų | 107.6 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61 | -37 | -179.8 | -54.1 | 0 | 0 | 0 | 0 | 112.3 | H473 H474 K481 | H473-T477 WeakPolarHBondContact O-CB 3.38Å; H473-T477 PolarHBondContact O-N 2.73Å; H473-T477 PolarHBondContact O-OG1 2.66Å; H474-T477 CarbonylContact O-C 3.59Å; H474-T477 WeakPolarHBondContact O-CB 3.39Å; H474-T477 PolarHBondContact O-N 2.83Å; H474-T477 VanDerWaalsContact O-N 3.16Å; T477-K481 VanDerWaalsContact O-CG 3.31Å; T477-K481 WeakPolarHBondContact O-CG 3.26Å; T477-K481 PolarHBondContact O-N 2.83Å |
| 478 | D | 87.7 | Confident | 85.2 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.444 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -76.2 | -36.2 | 176 | -75.3 | -16.7 | 0 | 0 | 0 | 112.9 | H474 I476 E480 K481 E482 | H474-D478 PolarHBondContact O-N 2.79Å; I476-D478 VanDerWaalsContact C-N 3.3Å; I476-D478 PolarHBondContact O-N 2.8Å; D478-E480 VanDerWaalsContact C-N 3.32Å; D478-K481 PolarHBondContact O-N 3.39Å; D478-K481 WeakPolarHBondContact OD1-CD 3.21Å; D478-K481 IonicContact OD1-NZ 2.7Å; D478-K481 PolarHBondContact OD1-NZ 3.2Å; D478-E482 PolarHBondContact O-N 3.23Å |
| 479 | L | 83.2 | Confident | 85.1 | Confident | 113 Ų | 113 | 104.8 Ų | 104.8 | 59% | 0.592 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -64 | -37.4 | 169.2 | -73.9 | 169.3 | 0 | 0 | 0 | 111.5 | K475 I476 E482 L483 | K475-L479 HydrophobicContact CG-CD1 4.41Å; K475-L479 WeakPolarHBondContact O-CB 3.46Å; K475-L479 WeakPolarHBondContact O-CG 3.41Å; K475-L479 PolarHBondContact O-N 3.26Å; I476-L479 CarbonylContact O-C 3.59Å; I476-L479 PolarHBondContact O-N 2.87Å; L479-E482 PolarHBondContact O-N 3.4Å; L479-L483 WeakPolarHBondContact O-CB 3.4Å; L479-L483 PolarHBondContact O-N 3.48Å |
| 480 | E | 84.4 | Confident | 85.1 | Confident | 121 Ų | 121 | 107 Ų | 107 | 57% | 0.565 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -64.8 | -40.9 | 173.1 | -76.5 | -177.1 | 163 | 0 | 0 | 112 | I476 D478 L483 N484 | I476-E480 HydrophobicContact CG2-CG 4.39Å; I476-E480 WeakPolarHBondContact O-CB 3.42Å; I476-E480 WeakPolarHBondContact O-CG 3.36Å; I476-E480 PolarHBondContact O-N 2.93Å; D478-E480 VanDerWaalsContact C-N 3.32Å; E480-L483 PolarHBondContact O-N 3.28Å; E480-N484 WeakPolarHBondContact O-CB 3.44Å; E480-N484 PolarHBondContact O-N 2.82Å |
| 481 | K | 86.3 | Confident | 85.3 | Confident | 116 Ų | 116 | 104.1 Ų | 104.1 | 50% | 0.504 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -59.3 | -50.6 | 173 | -71.8 | 165.2 | -161.2 | 154 | 0 | 111.5 | T477 D478 L483 N484 K485 | T477-K481 VanDerWaalsContact O-CG 3.31Å; T477-K481 WeakPolarHBondContact O-CG 3.26Å; T477-K481 PolarHBondContact O-N 2.83Å; D478-K481 PolarHBondContact O-N 3.39Å; D478-K481 WeakPolarHBondContact OD1-CD 3.21Å; D478-K481 IonicContact OD1-NZ 2.7Å; D478-K481 PolarHBondContact OD1-NZ 3.2Å; K481-L483 VanDerWaalsContact C-N 3.34Å; K481-L483 PolarHBondContact O-N 3.45Å; K481-N484 PolarHBondContact O-N 2.84Å; K481-K485 VanDerWaalsContact O-CB 3.25Å; K481-K485 WeakPolarHBondContact O-CB 3.15Å; K481-K485 PolarHBondContact O-N 3.33Å |
| 482 | E | 84.8 | Confident | 85.4 | Confident | 98 Ų | 98 | 103.7 Ų | 103.7 | 46% | 0.458 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.1 | -30.9 | 179.3 | -69.6 | -63.7 | 122.4 | 0 | 0 | 112.4 | D478 L479 K485 T486 | D478-E482 PolarHBondContact O-N 3.23Å; L479-E482 PolarHBondContact O-N 3.4Å; E482-K485 PolarHBondContact O-N 2.87Å; E482-K485 WeakPolarHBondContact OE1-CD 3.39Å; E482-K485 IonicContact OE1-NZ 3.54Å; E482-K485 PolarHBondContact OE1-NZ 2.82Å; E482-K485 WeakPolarHBondContact OE2-CD 3.49Å; E482-K485 IonicContact OE2-NZ 2.68Å; E482-K485 PolarHBondContact OE2-NZ 3.49Å; E482-T486 WeakPolarHBondContact O-CB 3.39Å; E482-T486 WeakPolarHBondContact O-CG2 3.33Å; E482-T486 PolarHBondContact O-N 3.35Å; E482-T486 PolarHBondContact O-OG1 3.02Å |
| 483 | L | 78.5 | Confident | 85.1 | Confident | 83 Ų | 83 | 101 Ų | 101 | 44% | 0.435 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -70.4 | -38 | 173.3 | -169.1 | 151.8 | 0 | 0 | 0 | 111.7 | L479 E480 K481 T486 R487 | L479-L483 WeakPolarHBondContact O-CB 3.4Å; L479-L483 PolarHBondContact O-N 3.48Å; E480-L483 PolarHBondContact O-N 3.28Å; K481-L483 VanDerWaalsContact C-N 3.34Å; K481-L483 PolarHBondContact O-N 3.45Å; L483-T486 WeakPolarHBondContact CA-OG1 3.2Å; L483-T486 PolarHBondContact O-OG1 3.1Å; L483-T486 VanDerWaalsContact O-OG1 3.13Å; L483-R487 HydrophobicContact CD2-CG 4.36Å; L483-R487 WeakPolarHBondContact O-CB 3.38Å; L483-R487 VanDerWaalsContact O-CG 3.27Å; L483-R487 WeakPolarHBondContact O-CG 3.33Å; L483-R487 PolarHBondContact O-N 3.11Å |
| 484 | N | 87.7 | Confident | 85.1 | Confident | 97 Ų | 97 | 99.4 Ų | 99.4 | 52% | 0.519 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -68.9 | -40.6 | 171.9 | -113.3 | 2.9 | 0 | 0 | 0 | 111.8 | E480 K481 R487 C488 | E480-N484 WeakPolarHBondContact O-CB 3.44Å; E480-N484 PolarHBondContact O-N 2.82Å; K481-N484 PolarHBondContact O-N 2.84Å; N484-R487 CarbonylContact O-C 3.54Å; N484-R487 WeakPolarHBondContact O-CB 3.39Å; N484-R487 PolarHBondContact O-N 3.11Å; N484-C488 PolarHBondContact O-N 2.88Å; N484-C488 PolarHBondContact O-SG 2.71Å |
| 485 | K | 88 | Confident | 85.3 | Confident | 97 Ų | 97 | 98.7 Ų | 98.7 | 42% | 0.422 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.6 | -43.9 | 176 | 178.6 | -170 | 177.5 | -166.5 | 0 | 112.2 | K481 E482 C488 Q489 | K481-K485 VanDerWaalsContact O-CB 3.25Å; K481-K485 WeakPolarHBondContact O-CB 3.15Å; K481-K485 PolarHBondContact O-N 3.33Å; E482-K485 PolarHBondContact O-N 2.87Å; E482-K485 WeakPolarHBondContact OE1-CD 3.39Å; E482-K485 IonicContact OE1-NZ 3.54Å; E482-K485 PolarHBondContact OE1-NZ 2.82Å; E482-K485 WeakPolarHBondContact OE2-CD 3.49Å; E482-K485 IonicContact OE2-NZ 2.68Å; E482-K485 PolarHBondContact OE2-NZ 3.49Å; K485-C488 WeakPolarHBondContact O-CB 3.47Å; K485-C488 PolarHBondContact O-N 2.9Å; K485-Q489 WeakPolarHBondContact O-CG 3.45Å; K485-Q489 PolarHBondContact O-N 3.42Å |
| 486 | T | 82 | Confident | 85.1 | Confident | 74 Ų | 74 | 94.4 Ų | 94.4 | 45% | 0.454 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.9 | -33.8 | 173.7 | 48.8 | 0 | 0 | 0 | 0 | 112.3 | E482 L483 Q489 L490 | E482-T486 WeakPolarHBondContact O-CB 3.39Å; E482-T486 WeakPolarHBondContact O-CG2 3.33Å; E482-T486 PolarHBondContact O-N 3.35Å; E482-T486 PolarHBondContact O-OG1 3.02Å; L483-T486 WeakPolarHBondContact CA-OG1 3.2Å; L483-T486 PolarHBondContact O-OG1 3.1Å; L483-T486 VanDerWaalsContact O-OG1 3.13Å; T486-Q489 PolarHBondContact O-N 2.87Å; T486-L490 WeakPolarHBondContact O-CB 3.44Å; T486-L490 PolarHBondContact O-N 3.39Å |
| 487 | R | 90.5 | Very high | 85 | Confident | 152 Ų | 152 | 95.7 Ų | 95.7 | 57% | 0.574 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -60.7 | -44.5 | 166.8 | -80.2 | 175 | 174.6 | 165.8 | 0.1 | 112.2 | L483 N484 L490 T491 | L483-R487 HydrophobicContact CD2-CG 4.36Å; L483-R487 WeakPolarHBondContact O-CB 3.38Å; L483-R487 VanDerWaalsContact O-CG 3.27Å; L483-R487 WeakPolarHBondContact O-CG 3.33Å; L483-R487 PolarHBondContact O-N 3.11Å; N484-R487 CarbonylContact O-C 3.54Å; N484-R487 WeakPolarHBondContact O-CB 3.39Å; N484-R487 PolarHBondContact O-N 3.11Å; R487-L490 WeakPolarHBondContact O-CB 3.33Å; R487-L490 PolarHBondContact O-N 3.43Å; R487-T491 PolarHBondContact O-N 2.83Å; R487-T491 PolarHBondContact O-OG1 3.46Å |
| 488 | C | 84.8 | Confident | 85 | Confident | 65 Ų | 65 | 95.7 Ų | 95.7 | 44% | 0.439 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -58.9 | -49.7 | 175.6 | -70.5 | 0 | 0 | 0 | 0 | 110.8 | N484 K485 L490 T491 E492 | N484-C488 PolarHBondContact O-N 2.88Å; N484-C488 PolarHBondContact O-SG 2.71Å; K485-C488 WeakPolarHBondContact O-CB 3.47Å; K485-C488 PolarHBondContact O-N 2.9Å; C488-L490 VanDerWaalsContact C-N 3.28Å; C488-L490 PolarHBondContact O-N 3.08Å; C488-T491 WeakPolarHBondContact CA-OG1 3.24Å; C488-T491 CarbonylContact O-C 3.59Å; C488-T491 PolarHBondContact O-N 2.83Å; C488-T491 PolarHBondContact O-OG1 2.94Å; C488-E492 WeakPolarHBondContact O-CG 3.05Å; C488-E492 PolarHBondContact O-N 2.89Å |
| 489 | Q | 84.8 | Confident | 84.9 | Confident | 99 Ų | 99 | 95.1 Ų | 95.1 | 46% | 0.463 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -59.4 | -36.6 | 175.2 | -70.5 | 172.1 | -13.4 | 0 | 0 | 112.8 | K485 T486 T493 | K485-Q489 WeakPolarHBondContact O-CG 3.45Å; K485-Q489 PolarHBondContact O-N 3.42Å; T486-Q489 PolarHBondContact O-N 2.87Å; Q489-T493 WeakPolarHBondContact O-CB 3.16Å; Q489-T493 WeakPolarHBondContact O-CG2 3.08Å; Q489-T493 PolarHBondContact O-N 2.97Å; Q489-T493 PolarHBondContact O-OG1 3.03Å |
| 490 | L | 83.2 | Confident | 85.1 | Confident | 112 Ų | 112 | 93.9 Ų | 93.9 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.4 | -44.5 | 173 | -163.9 | 77.6 | 0 | 0 | 0 | 111 | T486 R487 C488 T493 E494 | T486-L490 WeakPolarHBondContact O-CB 3.44Å; T486-L490 PolarHBondContact O-N 3.39Å; R487-L490 WeakPolarHBondContact O-CB 3.33Å; R487-L490 PolarHBondContact O-N 3.43Å; C488-L490 VanDerWaalsContact C-N 3.28Å; C488-L490 PolarHBondContact O-N 3.08Å; L490-T493 WeakPolarHBondContact CA-OG1 3.45Å; L490-T493 PolarHBondContact O-N 3.34Å; L490-T493 PolarHBondContact O-OG1 3.34Å; L490-T493 VanDerWaalsContact O-OG1 3.11Å; L490-E494 WeakPolarHBondContact O-CB 3.4Å; L490-E494 PolarHBondContact O-N 2.88Å |
| 491 | T | 87 | Confident | 85.3 | Confident | 75 Ų | 75 | 91.7 Ų | 91.7 | 46% | 0.46 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -68.1 | -33.8 | 176.4 | 56.8 | 0 | 0 | 0 | 0 | 113.1 | R487 C488 N495 | R487-T491 PolarHBondContact O-N 2.83Å; R487-T491 PolarHBondContact O-OG1 3.46Å; C488-T491 WeakPolarHBondContact CA-OG1 3.24Å; C488-T491 CarbonylContact O-C 3.59Å; C488-T491 PolarHBondContact O-N 2.83Å; C488-T491 PolarHBondContact O-OG1 2.94Å; T491-N495 WeakPolarHBondContact O-CB 3.16Å; T491-N495 PolarHBondContact O-N 3.39Å; T491-N495 PolarHBondContact O-ND2 3.33Å |
| 492 | E | 85.6 | Confident | 85.3 | Confident | 127 Ų | 127 | 89.8 Ų | 89.8 | 59% | 0.593 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -66.1 | -47.6 | 173.7 | -74.1 | 170.8 | -179.8 | 0 | 0 | 111.1 | C488 N495 A496 | C488-E492 WeakPolarHBondContact O-CG 3.05Å; C488-E492 PolarHBondContact O-N 2.89Å; E492-N495 PolarHBondContact O-N 3.18Å; E492-A496 WeakPolarHBondContact O-CB 3.33Å; E492-A496 PolarHBondContact O-N 2.74Å |
| 493 | T | 78.4 | Confident | 85.4 | Confident | 89 Ų | 89 | 89.4 Ų | 89.4 | 55% | 0.546 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69.7 | -31.3 | 177 | 51.5 | 0 | 0 | 0 | 0 | 112.7 | Q489 L490 R497 | Q489-T493 WeakPolarHBondContact O-CB 3.16Å; Q489-T493 WeakPolarHBondContact O-CG2 3.08Å; Q489-T493 PolarHBondContact O-N 2.97Å; Q489-T493 PolarHBondContact O-OG1 3.03Å; L490-T493 WeakPolarHBondContact CA-OG1 3.45Å; L490-T493 PolarHBondContact O-N 3.34Å; L490-T493 PolarHBondContact O-OG1 3.34Å; L490-T493 VanDerWaalsContact O-OG1 3.11Å; T493-R497 WeakPolarHBondContact O-CB 3.42Å; T493-R497 PolarHBondContact O-N 3.33Å |
| 494 | E | 84.5 | Confident | 85.6 | Confident | 85 Ų | 85 | 89.3 Ų | 89.3 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -72.2 | -39.6 | 172.7 | -175.6 | 130.9 | -103.2 | 0 | 0 | 112.1 | L490 R497 N498 | L490-E494 WeakPolarHBondContact O-CB 3.4Å; L490-E494 PolarHBondContact O-N 2.88Å; E494-R497 PolarHBondContact O-N 3.44Å; E494-R497 IonicContact OE1-CZ 3.65Å; E494-R497 IonicContact OE1-NE 2.65Å; E494-R497 PolarHBondContact OE1-NE 2.97Å; E494-R497 IonicContact OE1-NH2 2.73Å; E494-R497 PolarHBondContact OE1-NH2 2.66Å; E494-N498 VanDerWaalsContact O-CB 3.32Å; E494-N498 WeakPolarHBondContact O-CB 3.21Å; E494-N498 PolarHBondContact O-N 3.47Å; E494-N498 PolarHBondContact O-ND2 3.03Å; E494-N498 VanDerWaalsContact O-ND2 3.13Å |
| 495 | N | 86.9 | Confident | 85.3 | Confident | 106 Ų | 106 | 89.9 Ų | 89.9 | 57% | 0.567 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 171.7 | -75.5 | -30.3 | 0 | 0 | 0 | 111.3 | T491 E492 N498 S499 | T491-N495 WeakPolarHBondContact O-CB 3.16Å; T491-N495 PolarHBondContact O-N 3.39Å; T491-N495 PolarHBondContact O-ND2 3.33Å; E492-N495 PolarHBondContact O-N 3.18Å; N495-N498 PolarHBondContact O-N 2.87Å; N495-S499 PolarHBondContact O-N 3.17Å |
| 496 | A | 85.2 | Confident | 85 | Confident | 46 Ų | 46 | 89.7 Ų | 89.7 | 38% | 0.38 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -59 | -52 | 171.1 | 0 | 0 | 0 | 0 | 0 | 111 | E492 N498 S499 D500 | E492-A496 WeakPolarHBondContact O-CB 3.33Å; E492-A496 PolarHBondContact O-N 2.74Å; A496-N498 PolarHBondContact O-N 3.04Å; A496-S499 CarbonylContact O-C 3.49Å; A496-S499 PolarHBondContact O-N 2.81Å; A496-S499 PolarHBondContact O-OG 3.25Å; A496-D500 PolarHBondContact O-N 2.71Å |
| 497 | R | 84.7 | Confident | 84.8 | Confident | 110 Ų | 110 | 90.1 Ų | 90.1 | 42% | 0.415 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -56.3 | -34.8 | 176.2 | -170.2 | -168.8 | 61.9 | 52.3 | -6.9 | 113 | T493 E494 L501 | T493-R497 WeakPolarHBondContact O-CB 3.42Å; T493-R497 PolarHBondContact O-N 3.33Å; E494-R497 PolarHBondContact O-N 3.44Å; E494-R497 IonicContact OE1-CZ 3.65Å; E494-R497 IonicContact OE1-NE 2.65Å; E494-R497 PolarHBondContact OE1-NE 2.97Å; E494-R497 IonicContact OE1-NH2 2.73Å; E494-R497 PolarHBondContact OE1-NH2 2.66Å; R497-L501 VanDerWaalsContact NH1-CD1 3.25Å; R497-L501 WeakPolarHBondContact O-CB 3.26Å; R497-L501 PolarHBondContact O-N 2.69Å |
| 498 | N | 87.5 | Confident | 84.2 | Confident | 61 Ų | 61 | 91.7 Ų | 91.7 | 33% | 0.326 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -74.9 | -40.8 | 176.1 | -71.2 | -28 | 0 | 0 | 0 | 111.2 | E494 N495 A496 L501 D502 | E494-N498 VanDerWaalsContact O-CB 3.32Å; E494-N498 WeakPolarHBondContact O-CB 3.21Å; E494-N498 PolarHBondContact O-N 3.47Å; E494-N498 PolarHBondContact O-ND2 3.03Å; E494-N498 VanDerWaalsContact O-ND2 3.13Å; N495-N498 PolarHBondContact O-N 2.87Å; A496-N498 PolarHBondContact O-N 3.04Å; N498-L501 WeakPolarHBondContact O-CB 3.14Å; N498-L501 PolarHBondContact O-N 2.84Å; N498-D502 PolarHBondContact O-N 3.19Å |
| 499 | S | 85.7 | Confident | 83.9 | Confident | 71 Ų | 71 | 93.9 Ų | 93.9 | 50% | 0.497 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.2 | -37.1 | 173 | 74.1 | 0 | 0 | 0 | 0 | 112.7 | N495 A496 D502 L503 | N495-S499 PolarHBondContact O-N 3.17Å; A496-S499 CarbonylContact O-C 3.49Å; A496-S499 PolarHBondContact O-N 2.81Å; A496-S499 PolarHBondContact O-OG 3.25Å; S499-D502 PolarHBondContact O-N 2.69Å; S499-L503 WeakPolarHBondContact O-CB 3.44Å; S499-L503 PolarHBondContact O-N 2.73Å |
| 500 | D | 87 | Confident | 83.5 | Confident | 88 Ų | 88 | 94.6 Ų | 94.6 | 47% | 0.471 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -66.1 | -39.6 | 170.7 | -79.2 | -29.4 | 0 | 0 | 0 | 111.3 | A496 L503 I504 | A496-D500 PolarHBondContact O-N 2.71Å; D500-L503 PolarHBondContact O-N 2.78Å; D500-I504 VanDerWaalsContact O-CB 3.27Å; D500-I504 WeakPolarHBondContact O-CB 3.16Å; D500-I504 WeakPolarHBondContact O-CD1 3.41Å; D500-I504 WeakPolarHBondContact O-CG1 3.32Å; D500-I504 PolarHBondContact O-N 2.75Å |
| 501 | L | 87.4 | Confident | 82.9 | Confident | 74 Ų | 74 | 94.5 Ų | 94.5 | 39% | 0.387 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -64 | -40.3 | 173.9 | -97.1 | 172.6 | 0 | 0 | 0 | 112.1 | R497 N498 I504 K505 | R497-L501 VanDerWaalsContact NH1-CD1 3.25Å; R497-L501 WeakPolarHBondContact O-CB 3.26Å; R497-L501 PolarHBondContact O-N 2.69Å; N498-L501 WeakPolarHBondContact O-CB 3.14Å; N498-L501 PolarHBondContact O-N 2.84Å; L501-I504 CarbonylContact O-C 3.58Å; L501-I504 PolarHBondContact O-N 2.75Å; L501-K505 VanDerWaalsContact O-CG 3.29Å; L501-K505 WeakPolarHBondContact O-CG 3.25Å; L501-K505 PolarHBondContact O-N 2.74Å |
| 502 | D | 86.4 | Confident | 82.5 | Confident | 76 Ų | 76 | 92.7 Ų | 92.7 | 41% | 0.406 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72.3 | -36.4 | 176.9 | -73.2 | -18.7 | 0 | 0 | 0 | 111.5 | N498 S499 I504 K505 N506 | N498-D502 PolarHBondContact O-N 3.19Å; S499-D502 PolarHBondContact O-N 2.69Å; D502-I504 VanDerWaalsContact C-N 3.33Å; D502-I504 PolarHBondContact O-N 3.35Å; D502-K505 PolarHBondContact O-N 3.43Å; D502-K505 WeakPolarHBondContact OD1-CD 3.38Å; D502-K505 VanDerWaalsContact OD1-CE 3.32Å; D502-K505 WeakPolarHBondContact OD1-CE 3.15Å; D502-K505 IonicContact OD1-NZ 3.64Å; D502-K505 PolarHBondContact OD1-NZ 3.47Å; D502-N506 WeakPolarHBondContact O-CB 3.47Å; D502-N506 PolarHBondContact O-N 3.41Å; D502-N506 PolarHBondContact O-ND2 2.8Å |
| 503 | L | 88.5 | Confident | 82 | Confident | 91 Ų | 91 | 91.9 Ų | 91.9 | 48% | 0.476 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -40.6 | 167.5 | -177.9 | 60.4 | 0 | 0 | 0 | 111.4 | S499 D500 N506 L507 | S499-L503 WeakPolarHBondContact O-CB 3.44Å; S499-L503 PolarHBondContact O-N 2.73Å; D500-L503 PolarHBondContact O-N 2.78Å; L503-N506 PolarHBondContact O-N 3.3Å; L503-L507 HydrophobicContact CD1-CD1 4.21Å; L503-L507 HydrophobicContact CD1-CG 4.3Å; L503-L507 HydrophobicContact CG-CD1 4Å; L503-L507 VanDerWaalsContact O-CB 3.28Å; L503-L507 WeakPolarHBondContact O-CB 3.14Å; L503-L507 VanDerWaalsContact O-CG 3.24Å; L503-L507 WeakPolarHBondContact O-CG 3.18Å; L503-L507 PolarHBondContact O-N 2.68Å |
| 504 | I | 82.9 | Confident | 81.6 | Confident | 80 Ų | 80 | 92.4 Ų | 92.4 | 41% | 0.41 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -70.3 | -33 | 175.4 | -72.4 | 163.9 | 0 | 0 | 0 | 111.7 | D500 L501 D502 R508 | D500-I504 VanDerWaalsContact O-CB 3.27Å; D500-I504 WeakPolarHBondContact O-CB 3.16Å; D500-I504 WeakPolarHBondContact O-CD1 3.41Å; D500-I504 WeakPolarHBondContact O-CG1 3.32Å; D500-I504 PolarHBondContact O-N 2.75Å; L501-I504 CarbonylContact O-C 3.58Å; L501-I504 PolarHBondContact O-N 2.75Å; D502-I504 VanDerWaalsContact C-N 3.33Å; D502-I504 PolarHBondContact O-N 3.35Å; I504-R508 HydrophobicContact CG2-CG 4.39Å; I504-R508 WeakPolarHBondContact O-CB 3.4Å; I504-R508 WeakPolarHBondContact O-CG 3.36Å; I504-R508 PolarHBondContact O-N 3.21Å |
| 505 | K | 81.1 | Confident | 80.7 | Confident | 109 Ų | 109 | 96 Ų | 96 | 47% | 0.474 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.8 | -50.5 | 169.9 | -72.8 | 169.4 | -157.5 | 164.6 | 0 | 110 | L501 D502 L507 R508 E509 | L501-K505 VanDerWaalsContact O-CG 3.29Å; L501-K505 WeakPolarHBondContact O-CG 3.25Å; L501-K505 PolarHBondContact O-N 2.74Å; D502-K505 PolarHBondContact O-N 3.43Å; D502-K505 WeakPolarHBondContact OD1-CD 3.38Å; D502-K505 VanDerWaalsContact OD1-CE 3.32Å; D502-K505 WeakPolarHBondContact OD1-CE 3.15Å; D502-K505 IonicContact OD1-NZ 3.64Å; D502-K505 PolarHBondContact OD1-NZ 3.47Å; K505-L507 PolarHBondContact O-N 2.67Å; K505-R508 CarbonylContact O-C 3.58Å; K505-R508 WeakPolarHBondContact O-CA 3.4Å; K505-R508 WeakPolarHBondContact O-CB 3.41Å; K505-R508 PolarHBondContact O-N 3.32Å; K505-E509 PolarHBondContact O-N 2.74Å |
| 506 | N | 80.9 | Confident | 79.7 | Confident | 93 Ų | 93 | 97 Ų | 97 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -57.5 | -47.7 | 176.9 | -68.8 | -25.8 | 0 | 0 | 0 | 111.1 | D502 L503 R508 E509 E510 | D502-N506 WeakPolarHBondContact O-CB 3.47Å; D502-N506 PolarHBondContact O-N 3.41Å; D502-N506 PolarHBondContact O-ND2 2.8Å; L503-N506 PolarHBondContact O-N 3.3Å; N506-R508 VanDerWaalsContact C-N 3.32Å; N506-R508 PolarHBondContact O-N 2.65Å; N506-E509 CarbonylContact O-C 3.55Å; N506-E509 PolarHBondContact O-N 3.08Å; N506-E510 WeakPolarHBondContact O-CG 3.4Å; N506-E510 PolarHBondContact O-N 2.84Å |
| 507 | L | 77.6 | Confident | 78.7 | Confident | 83 Ų | 83 | 100 Ų | 100 | 44% | 0.435 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.2 | -26.6 | 174.8 | -71.6 | 171.3 | 0 | 0 | 0 | 113.2 | L503 K505 L511 | L503-L507 HydrophobicContact CD1-CD1 4.21Å; L503-L507 HydrophobicContact CD1-CG 4.3Å; L503-L507 HydrophobicContact CG-CD1 4Å; L503-L507 VanDerWaalsContact O-CB 3.28Å; L503-L507 WeakPolarHBondContact O-CB 3.14Å; L503-L507 VanDerWaalsContact O-CG 3.24Å; L503-L507 WeakPolarHBondContact O-CG 3.18Å; L503-L507 PolarHBondContact O-N 2.68Å; K505-L507 PolarHBondContact O-N 2.67Å; L507-L511 WeakPolarHBondContact O-CB 3.41Å; L507-L511 WeakPolarHBondContact O-CD1 3.44Å; L507-L511 WeakPolarHBondContact O-CG 3.37Å; L507-L511 PolarHBondContact O-N 2.58Å |
| 508 | R | 77.7 | Confident | 77.4 | Confident | 185 Ų | 185 | 100.3 Ų | 100.3 | 70% | 0.698 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -77.1 | -30.3 | 170.9 | -81.6 | 173.9 | 177.9 | -134.9 | 3.1 | 112.6 | I504 K505 N506 G512 | I504-R508 HydrophobicContact CG2-CG 4.39Å; I504-R508 WeakPolarHBondContact O-CB 3.4Å; I504-R508 WeakPolarHBondContact O-CG 3.36Å; I504-R508 PolarHBondContact O-N 3.21Å; K505-R508 CarbonylContact O-C 3.58Å; K505-R508 WeakPolarHBondContact O-CA 3.4Å; K505-R508 WeakPolarHBondContact O-CB 3.41Å; K505-R508 PolarHBondContact O-N 3.32Å; N506-R508 VanDerWaalsContact C-N 3.32Å; N506-R508 PolarHBondContact O-N 2.65Å; R508-G512 WeakPolarHBondContact O-CA 3.48Å; R508-G512 PolarHBondContact O-N 3.29Å |
| 509 | E | 79.1 | Confident | 75.9 | Confident | 111 Ų | 111 | 105.7 Ų | 105.7 | 52% | 0.519 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -75.4 | -39.5 | 171.4 | -76.1 | -168.9 | -159 | 0 | 0 | 111.7 | K505 N506 G512 K513 | K505-E509 PolarHBondContact O-N 2.74Å; N506-E509 CarbonylContact O-C 3.55Å; N506-E509 PolarHBondContact O-N 3.08Å; E509-G512 CarbonylContact O-C 3.49Å; E509-G512 WeakPolarHBondContact O-CA 3.4Å; E509-G512 PolarHBondContact O-N 3.27Å; E509-G512 VanDerWaalsContact O-N 3.12Å; E509-K513 WeakPolarHBondContact O-CD 3.45Å; E509-K513 WeakPolarHBondContact O-CG 3.43Å; E509-K513 PolarHBondContact O-N 3.5Å; E509-K513 IonicContact OE2-NZ 2.7Å |
| 510 | E | 76 | Confident | 74.6 | Confident | 115 Ų | 115 | 106.7 Ų | 106.7 | 54% | 0.537 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -68.9 | -43.8 | 171.5 | -71.1 | -158.4 | 153.7 | 0 | 0 | 111.4 | N506 G512 K513 L514 | N506-E510 WeakPolarHBondContact O-CG 3.4Å; N506-E510 PolarHBondContact O-N 2.84Å; E510-G512 PolarHBondContact O-N 3.25Å; E510-K513 PolarHBondContact O-N 3.17Å; E510-L514 WeakPolarHBondContact O-CB 3.37Å; E510-L514 WeakPolarHBondContact O-CD1 3.42Å; E510-L514 PolarHBondContact O-N 3Å |
| 511 | L | 71.3 | Confident | 72.9 | Confident | 109 Ų | 109 | 108.7 Ų | 108.7 | 57% | 0.571 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.8 | -27.6 | 166 | -77.2 | 168.2 | 0 | 0 | 0 | 111.6 | L507 K515 | L507-L511 WeakPolarHBondContact O-CB 3.41Å; L507-L511 WeakPolarHBondContact O-CD1 3.44Å; L507-L511 WeakPolarHBondContact O-CG 3.37Å; L507-L511 PolarHBondContact O-N 2.58Å; L511-K515 WeakPolarHBondContact O-CA 3.27Å; L511-K515 WeakPolarHBondContact O-CB 3.29Å; L511-K515 PolarHBondContact O-N 3.48Å |
| 512 | G | 77.5 | Confident | 70.6 | Confident | 37 Ų | 37 | 110.6 Ų | 110.6 | 38% | 0.381 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.1 | -50.1 | 172.4 | 0 | 0 | 0 | 0 | 0 | 111.4 | R508 E509 E510 K515 L516 | R508-G512 WeakPolarHBondContact O-CA 3.48Å; R508-G512 PolarHBondContact O-N 3.29Å; E509-G512 CarbonylContact O-C 3.49Å; E509-G512 WeakPolarHBondContact O-CA 3.4Å; E509-G512 PolarHBondContact O-N 3.27Å; E509-G512 VanDerWaalsContact O-N 3.12Å; E510-G512 PolarHBondContact O-N 3.25Å; G512-K515 PolarHBondContact O-N 3.13Å; G512-L516 WeakPolarHBondContact O-CB 3.32Å; G512-L516 PolarHBondContact O-N 2.89Å |
| 513 | K | 75.6 | Confident | 68.9 | Low | 110 Ų | 110 | 116 Ų | 116 | 48% | 0.478 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -61.3 | -57.8 | 175.6 | -67.3 | 154.4 | -167 | 159.6 | 0 | 110.3 | E509 E510 K515 L516 E517 | E509-K513 WeakPolarHBondContact O-CD 3.45Å; E509-K513 WeakPolarHBondContact O-CG 3.43Å; E509-K513 PolarHBondContact O-N 3.5Å; E509-K513 IonicContact OE2-NZ 2.7Å; E510-K513 PolarHBondContact O-N 3.17Å; K513-K515 VanDerWaalsContact C-N 3.28Å; K513-K515 PolarHBondContact O-N 3.18Å; K513-L516 CarbonylContact O-C 3.49Å; K513-L516 WeakPolarHBondContact O-CA 3.27Å; K513-L516 WeakPolarHBondContact O-CB 3.45Å; K513-L516 PolarHBondContact O-N 3.4Å; K513-E517 WeakPolarHBondContact O-CG 3.45Å; K513-E517 PolarHBondContact O-N 3.15Å |
| 514 | L | 69.5 | Low | 67 | Low | 100 Ų | 100 | 119.9 Ų | 119.9 | 52% | 0.524 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -58 | -34.6 | 175.3 | -94.9 | 74.5 | 0 | 0 | 0 | 112.7 | E510 H518 | E510-L514 WeakPolarHBondContact O-CB 3.37Å; E510-L514 WeakPolarHBondContact O-CD1 3.42Å; E510-L514 PolarHBondContact O-N 3Å; L514-H518 WeakPolarHBondContact O-CA 3.35Å; L514-H518 WeakPolarHBondContact O-CB 3.39Å; L514-H518 PolarHBondContact O-N 3.46Å |
| 515 | K | 66.2 | Low | 64.4 | Low | 162 Ų | 162 | 123.1 Ų | 123.1 | 70% | 0.704 | 58% | 0.58 | S | S | * | * | H | α-helix | trans | -80.5 | -20.2 | 177.6 | -168.7 | 175.2 | -174.1 | 178.1 | 0 | 112.4 | L511 G512 K513 Y519 | L511-K515 WeakPolarHBondContact O-CA 3.27Å; L511-K515 WeakPolarHBondContact O-CB 3.29Å; L511-K515 PolarHBondContact O-N 3.48Å; G512-K515 PolarHBondContact O-N 3.13Å; K513-K515 VanDerWaalsContact C-N 3.28Å; K513-K515 PolarHBondContact O-N 3.18Å; K515-Y519 VanDerWaalsContact O-CB 3.23Å; K515-Y519 WeakPolarHBondContact O-CB 3.46Å; K515-Y519 PolarHBondContact O-N 3.03Å |
| 516 | L | 66 | Low | 62 | Low | 127 Ų | 127 | 124.4 Ų | 124.4 | 67% | 0.665 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -76.8 | -47.5 | 167.6 | -162 | 72.9 | 0 | 0 | 0 | 110.4 | G512 K513 H518 Y519 T520 | G512-L516 WeakPolarHBondContact O-CB 3.32Å; G512-L516 PolarHBondContact O-N 2.89Å; K513-L516 CarbonylContact O-C 3.49Å; K513-L516 WeakPolarHBondContact O-CA 3.27Å; K513-L516 WeakPolarHBondContact O-CB 3.45Å; K513-L516 PolarHBondContact O-N 3.4Å; L516-H518 VanDerWaalsContact C-N 3.33Å; L516-H518 PolarHBondContact O-N 2.88Å; L516-Y519 CarbonylContact O-C 3.35Å; L516-Y519 WeakPolarHBondContact O-CA 3.33Å; L516-Y519 WeakPolarHBondContact O-CB 3.27Å; L516-Y519 PolarHBondContact O-N 2.88Å; L516-T520 PolarHBondContact O-N 2.83Å; L516-T520 PolarHBondContact O-OG1 2.69Å |
| 517 | E | 64.3 | Low | 59.5 | Low | 109 Ų | 109 | 125.6 Ų | 125.6 | 51% | 0.509 | 61% | 0.608 | S | S | . | * | H | α-helix | trans | -58.1 | -43.4 | 171.2 | -70.1 | 176.7 | 155.3 | 0 | 0 | 111.4 | K513 Y519 T520 H521 | K513-E517 WeakPolarHBondContact O-CG 3.45Å; K513-E517 PolarHBondContact O-N 3.15Å; E517-Y519 VanDerWaalsContact C-N 3.34Å; E517-T520 VanDerWaalsContact C-OG1 3.3Å; E517-T520 VanDerWaalsContact CA-OG1 3.3Å; E517-T520 WeakPolarHBondContact CA-OG1 3.42Å; E517-T520 CarbonylContact O-C 3.38Å; E517-T520 PolarHBondContact O-N 3.15Å; E517-T520 PolarHBondContact O-OG1 2.72Å; E517-H521 WeakPolarHBondContact O-CB 3Å; E517-H521 PolarHBondContact O-CD2 2.84Å; E517-H521 PolarHBondContact O-N 2.84Å |
| 518 | H | 57.4 | Low | 58.1 | Low | 115 Ų | 115 | 126.3 Ų | 126.3 | 53% | 0.532 | 62% | 0.617 | S | S | . | * | H | α-helix | trans | -75.6 | -18.9 | 174.1 | -162.4 | -36.6 | 0 | 0 | 0 | 111.7 | L514 L516 K522 | L514-H518 WeakPolarHBondContact O-CA 3.35Å; L514-H518 WeakPolarHBondContact O-CB 3.39Å; L514-H518 PolarHBondContact O-N 3.46Å; L516-H518 VanDerWaalsContact C-N 3.33Å; L516-H518 PolarHBondContact O-N 2.88Å; H518-K522 WeakPolarHBondContact O-CA 3.49Å; H518-K522 WeakPolarHBondContact O-CB 3.26Å; H518-K522 PolarHBondContact O-N 3.12Å |
| 519 | Y | 56.2 | Low | 55.6 | Low | 175 Ų | 175 | 124.7 Ų | 124.7 | 69% | 0.686 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -72.5 | -41.7 | 166.2 | -163 | -100.1 | 0 | 0 | 0 | 110.2 | K515 L516 E517 K522 K523 | K515-Y519 VanDerWaalsContact O-CB 3.23Å; K515-Y519 WeakPolarHBondContact O-CB 3.46Å; K515-Y519 PolarHBondContact O-N 3.03Å; L516-Y519 CarbonylContact O-C 3.35Å; L516-Y519 WeakPolarHBondContact O-CA 3.33Å; L516-Y519 WeakPolarHBondContact O-CB 3.27Å; L516-Y519 PolarHBondContact O-N 2.88Å; E517-Y519 VanDerWaalsContact C-N 3.34Å; Y519-K522 PolarHBondContact O-N 3.43Å; Y519-K523 WeakPolarHBondContact O-CB 3.31Å; Y519-K523 PolarHBondContact O-N 3.44Å |
| 520 | T | 57.9 | Low | 53.2 | Low | 91 Ų | 91 | 129 Ų | 129 | 56% | 0.558 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -64.8 | -39.6 | 171.8 | 45.3 | 0 | 0 | 0 | 0 | 112.8 | L516 E517 | L516-T520 PolarHBondContact O-N 2.83Å; L516-T520 PolarHBondContact O-OG1 2.69Å; E517-T520 VanDerWaalsContact C-OG1 3.3Å; E517-T520 VanDerWaalsContact CA-OG1 3.3Å; E517-T520 WeakPolarHBondContact CA-OG1 3.42Å; E517-T520 CarbonylContact O-C 3.38Å; E517-T520 PolarHBondContact O-N 3.15Å; E517-T520 PolarHBondContact O-OG1 2.72Å |
| 521 | H | 51 | Low | 50.8 | Low | 130 Ų | 130 | 130.7 Ų | 130.7 | 60% | 0.602 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -77.8 | -28.7 | 175.4 | -82.3 | -59.5 | 0 | 0 | 0 | 114 | E517 F524 M525 | E517-H521 WeakPolarHBondContact O-CB 3Å; E517-H521 PolarHBondContact O-CD2 2.84Å; E517-H521 PolarHBondContact O-N 2.84Å; H521-F524 CarbonylContact O-C 3.54Å; H521-F524 VanDerWaalsContact O-CA 3.27Å; H521-F524 WeakPolarHBondContact O-CA 3.1Å; H521-F524 WeakPolarHBondContact O-CB 3.46Å; H521-F524 PolarHBondContact O-N 2.63Å; H521-M525 PolarHBondContact O-N 2.83Å |
| 522 | K | 39.7 | Very low | 48.7 | Very low | 115 Ų | 115 | 132.4 Ų | 132.4 | 50% | 0.5 | 66% | 0.66 | S | S | . | * | H | α-helix | trans | -83 | -22.2 | 176.2 | -164.7 | 168.4 | -169.7 | 170.9 | 0 | 113 | H518 Y519 F524 M525 | H518-K522 WeakPolarHBondContact O-CA 3.49Å; H518-K522 WeakPolarHBondContact O-CB 3.26Å; H518-K522 PolarHBondContact O-N 3.12Å; Y519-K522 PolarHBondContact O-N 3.43Å; K522-F524 PolarHBondContact O-N 3.46Å; K522-M525 PolarHBondContact O-N 2.97Å |
| 523 | K | 51.4 | Low | 46.1 | Very low | 190 Ų | 190 | 136.7 Ų | 136.7 | 83% | 0.826 | 67% | 0.674 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.4 | -20.1 | 158.2 | -167.3 | 174.4 | -178.8 | -178.4 | 0 | 111.8 | Y519 | Y519-K523 WeakPolarHBondContact O-CB 3.31Å; Y519-K523 PolarHBondContact O-N 3.44Å |
| 524 | F | 48.6 | Very low | 43.5 | Very low | 171 Ų | 171 | 136.5 Ų | 136.5 | 75% | 0.75 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.7 | -26.9 | 175.5 | -128.8 | -82.9 | 0 | 0 | 0 | 114.2 | H521 K522 | H521-F524 CarbonylContact O-C 3.54Å; H521-F524 VanDerWaalsContact O-CA 3.27Å; H521-F524 WeakPolarHBondContact O-CA 3.1Å; H521-F524 WeakPolarHBondContact O-CB 3.46Å; H521-F524 PolarHBondContact O-N 2.63Å; K522-F524 PolarHBondContact O-N 3.46Å |
| 525 | M | 28 | Very low | 41.3 | Very low | 148 Ų | 148 | 139.8 Ų | 139.8 | 73% | 0.729 | 70% | 0.696 | S | S | * | * | trans | -132.1 | 93.2 | -172.2 | -73 | -65.9 | -176.9 | 0 | 0 | 112 | H521 K522 | H521-M525 PolarHBondContact O-N 2.83Å; K522-M525 PolarHBondContact O-N 2.97Å | ||
| 526 | N | 30 | Very low | 39.3 | Very low | 136 Ų | 136 | 137.5 Ų | 137.5 | 73% | 0.727 | 69% | 0.692 | S | S | * | * | trans | -144.1 | 72.6 | 178.2 | -147.8 | 30.9 | 0 | 0 | 0 | 111.9 | ||||
| 527 | S | 29 | Very low | 37.8 | Very low | 118 Ų | 118 | 139.2 Ų | 139.2 | 83% | 0.825 | 70% | 0.7 | S | S | * | * | trans | -162.7 | 154 | 167.5 | -141 | 0 | 0 | 0 | 0 | 109.2 | ||||
| 528 | P | 47.6 | Very low | 36 | Very low | 99 Ų | 99 | 139 Ų | 139 | 64% | 0.643 | 71% | 0.706 | S | S | * | * | -131.2 | 176.6 | -81.8 | 37.2 | -21.9 | 0 | 0 | 0 | 115.1 | |||||
| 529 | N | 25.7 | Very low | 34.5 | Very low | 150 Ų | 150 | 139 Ų | 139 | 80% | 0.802 | 71% | 0.714 | S | S | * | * | trans | 71.1 | 117.4 | 162.2 | -57.7 | -32.3 | 0 | 0 | 0 | 119.9 | ||||
| 530 | K | 28.5 | Very low | 33.1 | Very low | 201 Ų | 201 | 136.5 Ų | 136.5 | 87% | 0.874 | 71% | 0.713 | S | S | * | * | -170.9 | 160.7 | 94.8 | -105.7 | 177.9 | 179.3 | 177 | 0 | 114.2 | |||||
| 531 | L | 26 | Very low | 31.5 | Very low | 151 Ų | 151 | 138.7 Ų | 138.7 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -66.3 | 164.5 | 166.5 | -71.5 | 60.7 | 0 | 0 | 0 | 110.9 | ||||
| 532 | I | 25.8 | Very low | 30.5 | Very low | 145 Ų | 145 | 139.3 Ų | 139.3 | 74% | 0.744 | 73% | 0.729 | S | S | * | * | -172.1 | 127.9 | 116.1 | -99.1 | 159.9 | 0 | 0 | 0 | 112.8 | |||||
| 533 | N | 22.9 | Very low | 30 | Very low | 128 Ų | 128 | 140.6 Ų | 140.6 | 68% | 0.684 | 74% | 0.741 | S | S | * | * | trans | 37.3 | 115.6 | 143.7 | -48.6 | -7.4 | 0 | 0 | 0 | 119.4 | ||||
| 534 | S | 21.5 | Very low | 28.7 | Very low | 105 Ų | 105 | 138.9 Ų | 138.9 | 73% | 0.734 | 74% | 0.741 | S | S | * | * | 101.6 | 169 | 85.2 | 77.4 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 535 | K | 23.5 | Very low | 27.8 | Very low | 170 Ų | 170 | 139.7 Ų | 139.7 | 74% | 0.739 | 75% | 0.747 | S | S | * | * | cis | -148.2 | 155.4 | 1.7 | -158 | 155.2 | 179.5 | 179.2 | 0 | 112.9 | ||||
| 536 | D | 25 | Very low | 28.1 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 61% | 0.61 | 74% | 0.741 | S | S | * | * | trans | -18.5 | 148 | 161.5 | -27.4 | -33.8 | 0 | 0 | 0 | 118.9 | ||||
| 537 | I | 33.2 | Very low | 28.1 | Very low | 162 Ų | 162 | 137.5 Ų | 137.5 | 83% | 0.831 | 74% | 0.74 | S | S | * | * | trans | 161.9 | 107.1 | 133.9 | -81.6 | 153.3 | 0 | 0 | 0 | 106 | ||||
| 538 | V | 27.7 | Very low | 28.5 | Very low | 106 Ų | 106 | 139 Ų | 139 | 64% | 0.642 | 74% | 0.738 | S | S | * | * | cis | 82.9 | 130.1 | 38.3 | -176.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 539 | T | 25.2 | Very low | 28 | Very low | 114 Ų | 114 | 139.2 Ų | 139.2 | 70% | 0.699 | 73% | 0.731 | S | S | * | * | trans | 61 | 141 | 173 | 45.4 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 540 | D | 27 | Very low | 28.5 | Very low | 123 Ų | 123 | 139.1 Ų | 139.1 | 66% | 0.658 | 73% | 0.729 | S | S | * | * | cis | -141.2 | 139.5 | -5.4 | -102.2 | -43.5 | 0 | 0 | 0 | 108.9 | ||||
| 541 | N | 25 | Very low | 28.5 | Very low | 137 Ų | 137 | 136.2 Ų | 136.2 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | 46.8 | 113.7 | 91.9 | -74.1 | -47.2 | 0 | 0 | 0 | 115.7 | |||||
| 542 | N | 29.3 | Very low | 28.7 | Very low | 142 Ų | 142 | 134.1 Ų | 134.1 | 76% | 0.759 | 71% | 0.707 | S | S | * | * | trans | 27.5 | 142.2 | 140.8 | -75.2 | 1.6 | 0 | 0 | 0 | 122 | ||||
| 543 | N | 30 | Very low | 29.1 | Very low | 142 Ų | 142 | 136 Ų | 136 | 76% | 0.759 | 71% | 0.713 | S | S | * | * | trans | 80.8 | 102.8 | 160.5 | -51.2 | -21.3 | 0 | 0 | 0 | 116.2 | ||||
| 544 | N | 24 | Very low | 29.5 | Very low | 154 Ų | 154 | 139.1 Ų | 139.1 | 82% | 0.824 | 72% | 0.72 | S | S | * | * | -147.7 | 90.1 | 121.7 | -104.6 | -45.6 | 0 | 0 | 0 | 111.4 | K546 | N544-K546 VanDerWaalsContact C-N 3.27Å; N544-K546 PolarHBondContact O-N 3.38Å | |||
| 545 | E | 29.8 | Very low | 29.9 | Very low | 188 Ų | 188 | 140 Ų | 140 | 88% | 0.879 | 72% | 0.717 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 95.7 | 145.7 | -66.9 | -178 | 124.3 | 0 | 0 | 108.4 | ||
| 546 | K | 33.7 | Very low | 30.1 | Very low | 139 Ų | 139 | 140 Ų | 140 | 60% | 0.604 | 72% | 0.719 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -173.3 | -9.2 | 149.3 | -106.6 | 149.6 | -169.4 | 173.4 | 0 | 118.6 | N544 N548 Q549 | N544-K546 VanDerWaalsContact C-N 3.27Å; N544-K546 PolarHBondContact O-N 3.38Å; K546-N548 PolarHBondContact O-N 3.32Å; K546-Q549 HydrophobicContact CG-CG 4.47Å; K546-Q549 WeakPolarHBondContact O-CB 3.19Å; K546-Q549 PolarHBondContact O-N 2.82Å |
| 547 | S | 30.1 | Very low | 30.2 | Very low | 100 Ų | 100 | 141.7 Ų | 141.7 | 70% | 0.699 | 73% | 0.728 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.7 | -17.7 | 173.1 | -72.6 | 0 | 0 | 0 | 0 | 114 | Q549 I550 | S547-Q549 PolarHBondContact O-N 3.28Å; S547-I550 PolarHBondContact O-N 3.03Å |
| 548 | N | 37.9 | Very low | 29.7 | Very low | 148 Ų | 148 | 144.4 Ų | 144.4 | 79% | 0.791 | 73% | 0.728 | S | S | * | * | H | α-helix | trans | -66.4 | -5.9 | 166.1 | -80.3 | -1.1 | 0 | 0 | 0 | 114.1 | K546 | K546-N548 PolarHBondContact O-N 3.32Å |
| 549 | Q | 36.5 | Very low | 29.9 | Very low | 105 Ų | 105 | 146.2 Ų | 146.2 | 49% | 0.491 | 73% | 0.732 | S | S | . | * | H | α-helix | trans | -99.4 | -2 | 175.1 | -64.3 | -162.2 | -57.8 | 0 | 0 | 114.9 | K546 S547 | K546-Q549 HydrophobicContact CG-CG 4.47Å; K546-Q549 WeakPolarHBondContact O-CB 3.19Å; K546-Q549 PolarHBondContact O-N 2.82Å; S547-Q549 PolarHBondContact O-N 3.28Å |
| 550 | I | 35.2 | Very low | 29.8 | Very low | 147 Ų | 147 | 145 Ų | 145 | 75% | 0.754 | 73% | 0.729 | S | S | * | * | H | α-helix | trans | -90.4 | -15.5 | 172.3 | -65.4 | -178.7 | 0 | 0 | 0 | 112.3 | S547 | S547-I550 PolarHBondContact O-N 3.03Å |
| 551 | I | 30.2 | Very low | 29.9 | Very low | 141 Ų | 141 | 148.7 Ų | 148.7 | 72% | 0.723 | 74% | 0.739 | S | S | * | * | H | α-helix | trans | -87.8 | -27.8 | 163.9 | -64.9 | 176.6 | 0 | 0 | 0 | 111 | Q553 K554 | I551-Q553 PolarHBondContact O-N 3.42Å; I551-Q553 VanDerWaalsContact O-N 3.08Å; I551-K554 PolarHBondContact O-N 2.83Å |
| 552 | Q | 30.3 | Very low | 29.9 | Very low | 107 Ų | 107 | 148.1 Ų | 148.1 | 50% | 0.5 | 74% | 0.736 | S | S | . | * | G | 310 helix | trans | -70.4 | -3.1 | -178.9 | -149.4 | 171.6 | 27.5 | 0 | 0 | 114.5 | L555 | Q552-L555 HydrophobicContact CG-CD1 3.8Å; Q552-L555 HydrophobicContact CG-CG 4.45Å |
| 553 | Q | 34.2 | Very low | 29.9 | Very low | 183 Ų | 183 | 145.2 Ų | 145.2 | 86% | 0.855 | 73% | 0.732 | S | S | * | * | G | 310 helix | trans | -92.5 | 11.4 | 168.8 | -138.3 | 172.8 | 19.6 | 0 | 0 | 114.2 | I551 | I551-Q553 PolarHBondContact O-N 3.42Å; I551-Q553 VanDerWaalsContact O-N 3.08Å |
| 554 | K | 31.2 | Very low | 29.8 | Very low | 194 Ų | 194 | 145.6 Ų | 145.6 | 84% | 0.843 | 73% | 0.734 | S | S | * | * | G | 310 helix | trans | -92.2 | 0.9 | 156.9 | -84.7 | -167.6 | 172.5 | -173.7 | 0 | 114 | I551 Q556 | I551-K554 PolarHBondContact O-N 2.83Å; K554-Q556 VanDerWaalsContact C-N 3.28Å; K554-Q556 PolarHBondContact O-N 3.04Å |
| 555 | L | 28.9 | Very low | 30 | Very low | 125 Ų | 125 | 145.1 Ų | 145.1 | 65% | 0.654 | 73% | 0.731 | S | S | * | * | trans | -79.2 | 75 | 163.5 | -68.8 | -178.7 | 0 | 0 | 0 | 110.6 | Q552 | Q552-L555 HydrophobicContact CG-CD1 3.8Å; Q552-L555 HydrophobicContact CG-CG 4.45Å | ||
| 556 | Q | 27.9 | Very low | 30 | Very low | 170 Ų | 170 | 143.3 Ų | 143.3 | 79% | 0.794 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -166.4 | 54.9 | 150.3 | -154.5 | 66 | 8.1 | 0 | 0 | 113.1 | K554 | K554-Q556 VanDerWaalsContact C-N 3.28Å; K554-Q556 PolarHBondContact O-N 3.04Å |
| 557 | N | 26.6 | Very low | 29.7 | Very low | 149 Ų | 149 | 143.6 Ų | 143.6 | 80% | 0.797 | 74% | 0.736 | S | S | * | * | S | Bend | trans | -165 | 117.6 | 149.7 | -107 | -40.6 | 0 | 0 | 0 | 113.9 | ||
| 558 | R | 23.9 | Very low | 29.6 | Very low | 218 Ų | 218 | 147 Ų | 147 | 82% | 0.823 | 75% | 0.745 | S | S | * | * | S | Bend | trans | 67.1 | 107.2 | 157.8 | -65.1 | -173.3 | 170.9 | -160.8 | -6.6 | 119.9 | ||
| 559 | I | 31.5 | Very low | 29.2 | Very low | 144 Ų | 144 | 145.4 Ų | 145.4 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | trans | 73.7 | 112.4 | 141 | -51.4 | 160 | 0 | 0 | 0 | 115.4 | ||||
| 560 | S | 22.6 | Very low | 28.7 | Very low | 89 Ų | 89 | 146.2 Ų | 146.2 | 62% | 0.622 | 75% | 0.753 | S | S | * | * | cis | 56.6 | 102 | 1.1 | 172.6 | 0 | 0 | 0 | 0 | 117 | D562 | S560-D562 PolarHBondContact OG-OD2 3.1Å; S560-D562 VanDerWaalsContact OG-OD2 3.12Å | ||
| 561 | F | 28.4 | Very low | 28.3 | Very low | 201 Ų | 201 | 145.7 Ų | 145.7 | 88% | 0.882 | 75% | 0.751 | S | S | * | * | trans | -133.6 | 111.1 | 143.5 | -139 | -83 | 0 | 0 | 0 | 107.4 | ||||
| 562 | D | 26 | Very low | 28.1 | Very low | 125 Ų | 125 | 148.3 Ų | 148.3 | 67% | 0.668 | 76% | 0.76 | S | S | * | * | trans | -78.7 | 131.3 | 173.4 | -62.1 | -83.1 | 0 | 0 | 0 | 107.5 | S560 | S560-D562 PolarHBondContact OG-OD2 3.1Å; S560-D562 VanDerWaalsContact OG-OD2 3.12Å | ||
| 563 | A | 29 | Very low | 28 | Very low | 80 Ų | 80 | 149.8 Ų | 149.8 | 66% | 0.661 | 77% | 0.77 | S | S | * | * | 90.1 | 166.2 | 70 | 0 | 0 | 0 | 0 | 0 | 112.7 | |||||
| 564 | N | 27.8 | Very low | 27.7 | Very low | 150 Ų | 150 | 146 Ų | 146 | 80% | 0.802 | 76% | 0.763 | S | S | * | * | trans | 76.9 | 151.8 | -173.2 | -49.8 | 3.7 | 0 | 0 | 0 | 113.7 | ||||
| 565 | D | 27.7 | Very low | 27.5 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 77% | 0.765 | S | S | * | * | cis | -129.8 | 176.8 | 13.4 | -131.8 | -38 | 0 | 0 | 0 | 114.7 | ||||
| 566 | D | 29.6 | Very low | 27.3 | Very low | 151 Ų | 151 | 142.6 Ų | 142.6 | 81% | 0.807 | 77% | 0.77 | S | S | * | * | trans | -86.7 | -174.5 | -159.1 | -94 | -44.2 | 0 | 0 | 0 | 117.9 | ||||
| 567 | D | 28 | Very low | 27.3 | Very low | 144 Ų | 144 | 141.9 Ų | 141.9 | 77% | 0.77 | 77% | 0.772 | S | S | * | * | trans | 79.9 | 92.2 | 162.7 | -83.7 | -26.3 | 0 | 0 | 0 | 120.7 | ||||
| 568 | L | 28.5 | Very low | 27.5 | Very low | 172 Ų | 172 | 144 Ų | 144 | 90% | 0.901 | 78% | 0.777 | S | S | * | * | -151.3 | 127.3 | 106 | -155.1 | 73.7 | 0 | 0 | 0 | 112.7 | |||||
| 569 | T | 29.3 | Very low | 27.8 | Very low | 115 Ų | 115 | 141.6 Ų | 141.6 | 71% | 0.706 | 78% | 0.779 | S | S | * | * | trans | -107 | 136.5 | 170 | 55.7 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 570 | T | 26.1 | Very low | 27.5 | Very low | 122 Ų | 122 | 142 Ų | 142 | 75% | 0.748 | 78% | 0.778 | S | S | * | * | trans | -179.8 | 137.5 | 132.7 | 22 | 0 | 0 | 0 | 0 | 114.4 | ||||
| 571 | I | 26.9 | Very low | 27.7 | Very low | 136 Ų | 136 | 144.2 Ų | 144.2 | 70% | 0.697 | 78% | 0.778 | S | S | * | * | trans | 57.1 | 106.6 | 143.1 | -56.2 | 160.4 | 0 | 0 | 0 | 118 | ||||
| 572 | E | 26.4 | Very low | 27.7 | Very low | 195 Ų | 195 | 144.2 Ų | 144.2 | 91% | 0.911 | 78% | 0.781 | S | S | * | * | -136.7 | 142.5 | 99.2 | -150.6 | 170.4 | -142.7 | 0 | 0 | 110.4 | |||||
| 573 | I | 28.3 | Very low | 27.5 | Very low | 138 Ų | 138 | 144.7 Ų | 144.7 | 71% | 0.708 | 78% | 0.779 | S | S | * | * | trans | -98.2 | 135.8 | -167 | -69.6 | 175.2 | 0 | 0 | 0 | 110.9 | A575 | I573-A575 PolarHBondContact O-N 2.91Š| ||
| 574 | S | 27 | Very low | 27.4 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 72% | 0.72 | 78% | 0.784 | S | S | * | * | trans | -55.9 | 99.8 | -179.8 | 54.3 | 0 | 0 | 0 | 0 | 113.4 | N576 | S574-N576 PolarHBondContact O-N 3.1Š| ||
| 575 | A | 26.3 | Very low | 27.2 | Very low | 108 Ų | 108 | 148.4 Ų | 148.4 | 89% | 0.893 | 78% | 0.778 | S | S | * | * | trans | -72.1 | 54.8 | 168.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | I573 | I573-A575 PolarHBondContact O-N 2.91Š| ||
| 576 | N | 25.6 | Very low | 27.2 | Very low | 140 Ų | 140 | 150 Ų | 150 | 75% | 0.749 | 79% | 0.785 | S | S | * | * | trans | -136.5 | 62.2 | -169.2 | -145.9 | -7.4 | 0 | 0 | 0 | 111.3 | S574 | S574-N576 PolarHBondContact O-N 3.1Š| ||
| 577 | N | 27.7 | Very low | 26.9 | Very low | 156 Ų | 156 | 146.5 Ų | 146.5 | 83% | 0.834 | 77% | 0.773 | S | S | * | * | trans | -149.1 | 42.8 | 178.9 | -117.3 | -29.5 | 0 | 0 | 0 | 113.3 | ||||
| 578 | H | 30.4 | Very low | 26.8 | Very low | 194 Ų | 194 | 148.8 Ų | 148.8 | 90% | 0.898 | 78% | 0.779 | S | S | * | * | trans | -105.6 | 37.7 | 168.5 | -139.8 | 38.3 | 0 | 0 | 0 | 113.2 | Q580 | H578-Q580 VanDerWaalsContact C-N 3.35Å; H578-Q580 PolarHBondContact O-N 3.38Å | ||
| 579 | L | 31.1 | Very low | 26.5 | Very low | 166 Ų | 166 | 145.7 Ų | 145.7 | 87% | 0.869 | 77% | 0.771 | S | S | * | * | trans | -86.9 | 70.4 | 164.8 | -172.8 | 76.4 | 0 | 0 | 0 | 110.2 | ||||
| 580 | Q | 24.3 | Very low | 26.4 | Very low | 154 Ų | 154 | 148.1 Ų | 148.1 | 72% | 0.72 | 78% | 0.78 | S | S | * | * | trans | -151 | 105.3 | 166.1 | -123.9 | 165.5 | 16.8 | 0 | 0 | 115.3 | H578 | H578-Q580 VanDerWaalsContact C-N 3.35Å; H578-Q580 PolarHBondContact O-N 3.38Å | ||
| 581 | Q | 27.7 | Very low | 26.5 | Very low | 135 Ų | 135 | 146 Ų | 146 | 63% | 0.631 | 78% | 0.782 | S | S | * | * | trans | 54.7 | 78.8 | 134.1 | -61.4 | -174.2 | 18.8 | 0 | 0 | 118.8 | Q583 | Q581-Q583 HydrophobicContact CB-CG 3.97Š| ||
| 582 | Q | 27.6 | Very low | 26.7 | Very low | 201 Ų | 201 | 147.1 Ų | 147.1 | 94% | 0.939 | 79% | 0.789 | S | S | * | * | trans | -115.9 | 89.6 | 130.6 | -73 | -173.9 | -10.6 | 0 | 0 | 106.9 | ||||
| 583 | Q | 23.2 | Very low | 27 | Very low | 135 Ų | 135 | 145.1 Ų | 145.1 | 63% | 0.631 | 78% | 0.784 | S | S | * | * | 62.4 | 95.7 | 68.5 | -60.1 | -169.4 | 4.7 | 0 | 0 | 114 | Q581 | Q581-Q583 HydrophobicContact CB-CG 3.97Š| |||
| 584 | Q | 26.5 | Very low | 27.2 | Very low | 162 Ų | 162 | 142 Ų | 142 | 76% | 0.757 | 77% | 0.774 | S | S | * | * | 65 | 142.2 | 124.4 | -95.9 | 179.8 | -4.7 | 0 | 0 | 122.5 | |||||
| 585 | H | 24.1 | Very low | 28 | Very low | 146 Ų | 146 | 139.9 Ų | 139.9 | 68% | 0.676 | 76% | 0.759 | S | S | * | * | trans | 63.9 | 107.3 | 153.5 | -70.4 | -62.9 | 0 | 0 | 0 | 120.3 | ||||
| 586 | L | 27.5 | Very low | 28.9 | Very low | 176 Ų | 176 | 140.9 Ų | 140.9 | 92% | 0.921 | 75% | 0.749 | S | S | * | * | trans | -166.9 | 148 | 139.3 | -100.9 | 155.1 | 0 | 0 | 0 | 109.1 | ||||
| 587 | S | 22.4 | Very low | 30.2 | Very low | 78 Ų | 78 | 138.5 Ų | 138.5 | 55% | 0.545 | 74% | 0.743 | S | S | . | * | -165.8 | 124 | -72.2 | -92.9 | 0 | 0 | 0 | 0 | 109.7 | |||||
| 588 | Q | 26 | Very low | 31.4 | Very low | 192 Ų | 192 | 134.6 Ų | 134.6 | 90% | 0.897 | 72% | 0.722 | S | S | * | * | trans | 66.2 | 170.5 | 163.9 | -50.8 | 177.2 | 6.5 | 0 | 0 | 114.5 | ||||
| 589 | S | 23.1 | Very low | 32.5 | Very low | 107 Ų | 107 | 129.8 Ų | 129.8 | 75% | 0.748 | 70% | 0.7 | S | S | * | * | cis | -144.6 | 171.9 | 8.8 | 68.6 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 590 | N | 27.3 | Very low | 33.7 | Very low | 167 Ų | 167 | 127.1 Ų | 127.1 | 89% | 0.893 | 69% | 0.686 | S | S | * | * | trans | -76.5 | 156.9 | 177.7 | -54.6 | -52.6 | 0 | 0 | 0 | 112.7 | ||||
| 591 | G | 27.3 | Very low | 35.7 | Very low | 76 Ų | 76 | 123 Ų | 123 | 78% | 0.784 | 67% | 0.674 | S | S | * | * | trans | -161.1 | 138.2 | 166.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 592 | L | 30.1 | Very low | 37.3 | Very low | 160 Ų | 160 | 121.1 Ų | 121.1 | 84% | 0.838 | 67% | 0.666 | S | S | * | * | trans | -118.9 | 145.4 | -173.5 | -75.3 | 166.9 | 0 | 0 | 0 | 112.3 | ||||
| 593 | N | 33.1 | Very low | 39.3 | Very low | 154 Ų | 154 | 114.9 Ų | 114.9 | 82% | 0.824 | 64% | 0.644 | S | S | * | * | trans | 55.7 | 96.6 | 156.9 | -57.7 | -12.6 | 0 | 0 | 0 | 118.2 | ||||
| 594 | C | 33.7 | Very low | 41.9 | Very low | 71 Ų | 71 | 113.2 Ų | 113.2 | 48% | 0.48 | 64% | 0.643 | S | S | . | * | trans | -124.2 | 161.9 | 153.9 | -163.1 | 0 | 0 | 0 | 0 | 109.1 | Q599 | C594-Q599 HydrophobicContact CB-CG 4.48Å; C594-Q599 PolarHBondContact O-NE2 2.86Å | ||
| 595 | S | 43.5 | Very low | 44.3 | Very low | 60 Ų | 60 | 108.8 Ų | 108.8 | 42% | 0.42 | 63% | 0.627 | S | S | . | * | trans | -74.8 | 153.8 | -170.3 | 100.9 | 0 | 0 | 0 | 0 | 112.8 | S597 D598 Q599 | S595-S597 PolarHBondContact O-N 3.08Å; S595-S597 VanDerWaalsContact O-N 3.15Å; S595-D598 VanDerWaalsContact CB-OD2 3.22Å; S595-D598 WeakPolarHBondContact CB-OD2 3.48Å; S595-D598 PolarHBondContact O-N 3.06Å; S595-D598 VanDerWaalsContact O-N 3.13Å; S595-D598 PolarHBondContact OG-OD2 3.12Å; S595-Q599 WeakPolarHBondContact O-CB 3.36Å; S595-Q599 WeakPolarHBondContact O-CG 3.42Å; S595-Q599 PolarHBondContact O-N 2.73Å | ||
| 596 | L | 45.1 | Very low | 46.8 | Very low | 128 Ų | 128 | 105.6 Ų | 105.6 | 67% | 0.67 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -61.1 | -27.3 | -176.1 | -161.2 | 78.2 | 0 | 0 | 0 | 113.3 | L600 | L596-L600 WeakPolarHBondContact O-CB 3.42Å; L596-L600 WeakPolarHBondContact O-CG 3.24Å; L596-L600 PolarHBondContact O-N 3.43Å |
| 597 | S | 53.8 | Low | 49.4 | Very low | 90 Ų | 90 | 105 Ų | 105 | 63% | 0.629 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -71.9 | -47.5 | 176.1 | -170.5 | 0 | 0 | 0 | 0 | 110.8 | S595 L600 S601 | S595-S597 PolarHBondContact O-N 3.08Å; S595-S597 VanDerWaalsContact O-N 3.15Å; S597-L600 PolarHBondContact O-N 3.08Å; S597-L600 VanDerWaalsContact O-N 3.12Å; S597-S601 PolarHBondContact O-N 3.5Å; S597-S601 PolarHBondContact O-OG 2.69Å |
| 598 | D | 51.6 | Low | 52.2 | Low | 74 Ų | 74 | 106.1 Ų | 106.1 | 40% | 0.396 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.9 | -47.3 | 176.6 | -52.1 | -61 | 0 | 0 | 0 | 109.5 | S595 L600 S601 E602 | S595-D598 VanDerWaalsContact CB-OD2 3.22Å; S595-D598 WeakPolarHBondContact CB-OD2 3.48Å; S595-D598 PolarHBondContact O-N 3.06Å; S595-D598 VanDerWaalsContact O-N 3.13Å; S595-D598 PolarHBondContact OG-OD2 3.12Å; D598-L600 PolarHBondContact O-N 2.76Å; D598-S601 WeakPolarHBondContact CA-OG 3.36Å; D598-S601 PolarHBondContact O-N 3.4Å; D598-S601 PolarHBondContact O-OG 3.08Å; D598-E602 WeakPolarHBondContact O-CA 3.28Å; D598-E602 WeakPolarHBondContact O-CB 3.31Å; D598-E602 PolarHBondContact O-N 3.44Å |
| 599 | Q | 53.5 | Low | 54.7 | Low | 93 Ų | 93 | 101.3 Ų | 101.3 | 44% | 0.435 | 58% | 0.58 | S | S | . | * | H | α-helix | trans | -58 | -27.3 | 173.7 | -73 | -177.1 | -23.3 | 0 | 0 | 113.9 | C594 S595 S603 | C594-Q599 HydrophobicContact CB-CG 4.48Å; C594-Q599 PolarHBondContact O-NE2 2.86Å; S595-Q599 WeakPolarHBondContact O-CB 3.36Å; S595-Q599 WeakPolarHBondContact O-CG 3.42Å; S595-Q599 PolarHBondContact O-N 2.73Å; Q599-S603 WeakPolarHBondContact O-CA 3.31Å; Q599-S603 WeakPolarHBondContact O-CB 3.39Å; Q599-S603 PolarHBondContact O-N 2.87Å |
| 600 | L | 56.8 | Low | 57.4 | Low | 110 Ų | 110 | 101.2 Ų | 101.2 | 58% | 0.576 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -81.2 | -44.1 | 174.9 | -83.8 | 168.8 | 0 | 0 | 0 | 111.9 | L596 S597 D598 E602 S603 V604 | L596-L600 WeakPolarHBondContact O-CB 3.42Å; L596-L600 WeakPolarHBondContact O-CG 3.24Å; L596-L600 PolarHBondContact O-N 3.43Å; S597-L600 PolarHBondContact O-N 3.08Å; S597-L600 VanDerWaalsContact O-N 3.12Å; D598-L600 PolarHBondContact O-N 2.76Å; L600-E602 VanDerWaalsContact C-N 3.34Å; L600-S603 PolarHBondContact O-N 3.36Å; L600-V604 WeakPolarHBondContact O-CG2 2.86Å; L600-V604 PolarHBondContact O-N 2.89Å |
| 601 | S | 65.3 | Low | 59.8 | Low | 67 Ų | 67 | 97.4 Ų | 97.4 | 47% | 0.469 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -62.2 | -42.8 | 171.8 | 43.7 | 0 | 0 | 0 | 0 | 111.9 | S597 D598 V604 T605 | S597-S601 PolarHBondContact O-N 3.5Å; S597-S601 PolarHBondContact O-OG 2.69Å; D598-S601 WeakPolarHBondContact CA-OG 3.36Å; D598-S601 PolarHBondContact O-N 3.4Å; D598-S601 PolarHBondContact O-OG 3.08Å; S601-V604 PolarHBondContact O-N 3.26Å; S601-T605 WeakPolarHBondContact O-CG2 3.23Å; S601-T605 PolarHBondContact O-N 2.85Å; S601-T605 PolarHBondContact O-OG1 2.85Å; S601-T605 VanDerWaalsContact O-OG1 3.09Å |
| 602 | E | 61.5 | Low | 62.1 | Low | 97 Ų | 97 | 98 Ų | 98 | 45% | 0.453 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -72.5 | -33.8 | 177.9 | -177 | 169 | -165.6 | 0 | 0 | 111.6 | D598 L600 T605 N606 | D598-E602 WeakPolarHBondContact O-CA 3.28Å; D598-E602 WeakPolarHBondContact O-CB 3.31Å; D598-E602 PolarHBondContact O-N 3.44Å; L600-E602 VanDerWaalsContact C-N 3.34Å; E602-T605 WeakPolarHBondContact CA-OG1 3.04Å; E602-N606 WeakPolarHBondContact CG-ND2 3.38Å; E602-N606 WeakPolarHBondContact O-CA 3.41Å; E602-N606 WeakPolarHBondContact O-CB 3.37Å; E602-N606 VanDerWaalsContact O-CG 3.25Å; E602-N606 PolarHBondContact O-N 3.25Å; E602-N606 PolarHBondContact O-ND2 2.77Å; E602-N606 PolarHBondContact OE1-ND2 3.36Å |
| 603 | S | 69.8 | Low | 64.4 | Low | 69 Ų | 69 | 93.8 Ų | 93.8 | 48% | 0.483 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 168.5 | 175.8 | 0 | 0 | 0 | 0 | 110.8 | Q599 L600 R607 | Q599-S603 WeakPolarHBondContact O-CA 3.31Å; Q599-S603 WeakPolarHBondContact O-CB 3.39Å; Q599-S603 PolarHBondContact O-N 2.87Å; L600-S603 PolarHBondContact O-N 3.36Å; S603-R607 WeakPolarHBondContact O-CA 3.39Å; S603-R607 WeakPolarHBondContact O-CB 3.47Å; S603-R607 PolarHBondContact O-N 2.65Å |
| 604 | V | 77.2 | Confident | 66.8 | Low | 100 Ų | 100 | 88.7 Ų | 88.7 | 61% | 0.606 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -69.2 | -44.5 | 178.9 | 173.3 | 0 | 0 | 0 | 0 | 111.9 | L600 S601 R607 L608 | L600-V604 WeakPolarHBondContact O-CG2 2.86Å; L600-V604 PolarHBondContact O-N 2.89Å; S601-V604 PolarHBondContact O-N 3.26Å; V604-R607 PolarHBondContact O-N 2.86Å; V604-L608 WeakPolarHBondContact O-CB 3.39Å; V604-L608 PolarHBondContact O-N 3.34Å |
| 605 | T | 77.6 | Confident | 69.2 | Low | 70 Ų | 70 | 89.8 Ų | 89.8 | 43% | 0.429 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -71.3 | -39.5 | 177.7 | 56.9 | 0 | 0 | 0 | 0 | 112.1 | S601 E602 R607 L608 N609 | S601-T605 WeakPolarHBondContact O-CG2 3.23Å; S601-T605 PolarHBondContact O-N 2.85Å; S601-T605 PolarHBondContact O-OG1 2.85Å; S601-T605 VanDerWaalsContact O-OG1 3.09Å; E602-T605 WeakPolarHBondContact CA-OG1 3.04Å; T605-R607 VanDerWaalsContact C-N 3.34Å; T605-L608 PolarHBondContact O-N 2.78Å; T605-N609 WeakPolarHBondContact O-CB 3.33Å; T605-N609 PolarHBondContact O-N 2.71Å; T605-N609 PolarHBondContact O-ND2 3.22Å |
| 606 | N | 76.9 | Confident | 71 | Confident | 79 Ų | 79 | 93.5 Ų | 93.5 | 42% | 0.422 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.6 | -30.8 | 172.9 | -68.8 | -20.8 | 0 | 0 | 0 | 111.6 | E602 H610 | E602-N606 WeakPolarHBondContact CG-ND2 3.38Å; E602-N606 WeakPolarHBondContact O-CA 3.41Å; E602-N606 WeakPolarHBondContact O-CB 3.37Å; E602-N606 VanDerWaalsContact O-CG 3.25Å; E602-N606 PolarHBondContact O-N 3.25Å; E602-N606 PolarHBondContact O-ND2 2.77Å; E602-N606 PolarHBondContact OE1-ND2 3.36Å; N606-H610 WeakPolarHBondContact O-CA 3.25Å; N606-H610 WeakPolarHBondContact O-CB 3.42Å; N606-H610 PolarHBondContact O-N 3.44Å |
| 607 | R | 81.4 | Confident | 72.5 | Confident | 163 Ų | 163 | 93.7 Ų | 93.7 | 62% | 0.615 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -68.8 | -39.3 | 171.4 | -167.2 | 69.8 | 172.6 | -175.9 | 1.6 | 111.5 | S603 V604 T605 L611 | S603-R607 WeakPolarHBondContact O-CA 3.39Å; S603-R607 WeakPolarHBondContact O-CB 3.47Å; S603-R607 PolarHBondContact O-N 2.65Å; V604-R607 PolarHBondContact O-N 2.86Å; T605-R607 VanDerWaalsContact C-N 3.34Å; R607-L611 HydrophobicContact CG-CD1 4.34Å; R607-L611 WeakPolarHBondContact O-CB 3.09Å; R607-L611 VanDerWaalsContact O-CG 3.23Å; R607-L611 WeakPolarHBondContact O-CG 3.31Å; R607-L611 PolarHBondContact O-N 2.74Å |
| 608 | L | 82.8 | Confident | 73.7 | Confident | 101 Ų | 101 | 94.1 Ų | 94.1 | 53% | 0.529 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -68.2 | -49.7 | 175.5 | -173.3 | 67.1 | 0 | 0 | 0 | 111.3 | V604 T605 H610 L611 E612 | V604-L608 WeakPolarHBondContact O-CB 3.39Å; V604-L608 PolarHBondContact O-N 3.34Å; T605-L608 PolarHBondContact O-N 2.78Å; L608-H610 VanDerWaalsContact C-N 3.29Å; L608-H610 PolarHBondContact O-N 3.17Å; L608-L611 CarbonylContact O-C 3.22Å; L608-L611 PolarHBondContact O-N 2.83Å; L608-L611 VanDerWaalsContact O-N 3.09Å; L608-E612 PolarHBondContact O-N 3.28Å |
| 609 | N | 77.8 | Confident | 75.1 | Confident | 92 Ų | 92 | 95.3 Ų | 95.3 | 49% | 0.492 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 174.9 | -69.3 | -21.1 | 0 | 0 | 0 | 111.4 | T605 E612 E613 | T605-N609 WeakPolarHBondContact O-CB 3.33Å; T605-N609 PolarHBondContact O-N 2.71Å; T605-N609 PolarHBondContact O-ND2 3.22Å; N609-E612 PolarHBondContact O-N 2.73Å; N609-E613 WeakPolarHBondContact O-CB 3.4Å; N609-E613 PolarHBondContact O-N 3.45Å |
| 610 | H | 79.2 | Confident | 76.3 | Confident | 104 Ų | 104 | 97.9 Ų | 97.9 | 48% | 0.481 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -69.3 | -35.9 | 174.2 | -177 | 74.2 | 0 | 0 | 0 | 111.8 | N606 L608 V614 | N606-H610 WeakPolarHBondContact O-CA 3.25Å; N606-H610 WeakPolarHBondContact O-CB 3.42Å; N606-H610 PolarHBondContact O-N 3.44Å; L608-H610 VanDerWaalsContact C-N 3.29Å; L608-H610 PolarHBondContact O-N 3.17Å; H610-V614 WeakPolarHBondContact O-CB 3.44Å; H610-V614 WeakPolarHBondContact O-CG2 3.49Å; H610-V614 PolarHBondContact O-N 2.68Å |
| 611 | L | 78.1 | Confident | 77.3 | Confident | 88 Ų | 88 | 97.8 Ų | 97.8 | 46% | 0.461 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -71.6 | -34.3 | 172.8 | -75.4 | 168.7 | 0 | 0 | 0 | 112.4 | R607 L608 N615 | R607-L611 HydrophobicContact CG-CD1 4.34Å; R607-L611 WeakPolarHBondContact O-CB 3.09Å; R607-L611 VanDerWaalsContact O-CG 3.23Å; R607-L611 WeakPolarHBondContact O-CG 3.31Å; R607-L611 PolarHBondContact O-N 2.74Å; L608-L611 CarbonylContact O-C 3.22Å; L608-L611 PolarHBondContact O-N 2.83Å; L608-L611 VanDerWaalsContact O-N 3.09Å; L611-N615 VanDerWaalsContact O-CB 3.26Å; L611-N615 WeakPolarHBondContact O-CB 3.41Å; L611-N615 PolarHBondContact O-N 3.46Å; L611-N615 PolarHBondContact O-ND2 2.63Å |
| 612 | E | 76.3 | Confident | 78 | Confident | 87 Ų | 87 | 98.9 Ų | 98.9 | 41% | 0.407 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -68.8 | -40.7 | 170.8 | -87.9 | -157.8 | -148.3 | 0 | 0 | 112.4 | L608 N609 N615 R616 | L608-E612 PolarHBondContact O-N 3.28Å; N609-E612 PolarHBondContact O-N 2.73Å; E612-N615 PolarHBondContact O-N 2.91Å; E612-R616 WeakPolarHBondContact O-CB 3.28Å; E612-R616 WeakPolarHBondContact O-CG 3.42Å; E612-R616 PolarHBondContact O-N 3.48Å; E612-R616 IonicContact OE2-CZ 3.68Å; E612-R616 IonicContact OE2-NH1 3.46Å; E612-R616 PolarHBondContact OE2-NH1 2.95Å; E612-R616 IonicContact OE2-NH2 2.81Å |
| 613 | E | 78.2 | Confident | 78.8 | Confident | 72 Ų | 72 | 99.4 Ų | 99.4 | 34% | 0.336 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -71.3 | -37.4 | 176.1 | 175.9 | 60 | -174.9 | 0 | 0 | 111.1 | N609 R616 R617 | N609-E613 WeakPolarHBondContact O-CB 3.4Å; N609-E613 PolarHBondContact O-N 3.45Å; E613-R616 PolarHBondContact O-N 3.29Å; E613-R617 WeakPolarHBondContact O-CB 3.3Å; E613-R617 VanDerWaalsContact O-CG 3.24Å; E613-R617 WeakPolarHBondContact O-CG 3.04Å; E613-R617 PolarHBondContact O-N 3.27Å; E613-R617 IonicContact OE1-CZ 3.74Å; E613-R617 IonicContact OE1-NE 3.15Å; E613-R617 PolarHBondContact OE1-NE 3.49Å; E613-R617 IonicContact OE1-NH2 2.82Å; E613-R617 PolarHBondContact OE1-NH2 3.37Å |
| 614 | V | 83.6 | Confident | 79.1 | Confident | 47 Ų | 47 | 102.2 Ų | 102.2 | 29% | 0.285 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66 | -39 | 169.9 | 166.3 | 0 | 0 | 0 | 0 | 110.8 | H610 R617 L618 | H610-V614 WeakPolarHBondContact O-CB 3.44Å; H610-V614 WeakPolarHBondContact O-CG2 3.49Å; H610-V614 PolarHBondContact O-N 2.68Å; V614-R617 PolarHBondContact O-N 2.73Å; V614-L618 HydrophobicContact CG1-CD1 3.8Å; V614-L618 WeakPolarHBondContact O-CB 3.45Å; V614-L618 WeakPolarHBondContact O-CD1 3.07Å; V614-L618 PolarHBondContact O-N 3.06Å |
| 615 | N | 84.2 | Confident | 79 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 51% | 0.508 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.5 | -32.8 | 172.3 | -86.3 | -25.8 | 0 | 0 | 0 | 112.9 | L611 E612 N619 | L611-N615 VanDerWaalsContact O-CB 3.26Å; L611-N615 WeakPolarHBondContact O-CB 3.41Å; L611-N615 PolarHBondContact O-N 3.46Å; L611-N615 PolarHBondContact O-ND2 2.63Å; E612-N615 PolarHBondContact O-N 2.91Å; N615-N619 VanDerWaalsContact O-CB 3.27Å; N615-N619 WeakPolarHBondContact O-CB 3.2Å; N615-N619 PolarHBondContact O-N 3.36Å; N615-N619 PolarHBondContact O-ND2 3.04Å |
| 616 | R | 79.7 | Confident | 79.1 | Confident | 137 Ų | 137 | 102.7 Ų | 102.7 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -70.4 | -34.5 | 171.6 | -79.5 | -175.8 | 176.3 | 89 | 0.8 | 111.6 | E612 E613 K620 | E612-R616 WeakPolarHBondContact O-CB 3.28Å; E612-R616 WeakPolarHBondContact O-CG 3.42Å; E612-R616 PolarHBondContact O-N 3.48Å; E612-R616 IonicContact OE2-CZ 3.68Å; E612-R616 IonicContact OE2-NH1 3.46Å; E612-R616 PolarHBondContact OE2-NH1 2.95Å; E612-R616 IonicContact OE2-NH2 2.81Å; E613-R616 PolarHBondContact O-N 3.29Å; R616-K620 WeakPolarHBondContact O-CB 3.37Å; R616-K620 VanDerWaalsContact O-CG 3.22Å; R616-K620 WeakPolarHBondContact O-CG 3.45Å; R616-K620 PolarHBondContact O-N 3.39Å |
| 617 | R | 76.4 | Confident | 79.2 | Confident | 132 Ų | 132 | 105.6 Ų | 105.6 | 50% | 0.498 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -69.2 | -54.3 | 171.7 | -73.7 | 172.3 | -165.9 | -160.2 | 4.2 | 111 | E613 V614 N619 K620 E621 | E613-R617 WeakPolarHBondContact O-CB 3.3Å; E613-R617 VanDerWaalsContact O-CG 3.24Å; E613-R617 WeakPolarHBondContact O-CG 3.04Å; E613-R617 PolarHBondContact O-N 3.27Å; E613-R617 IonicContact OE1-CZ 3.74Å; E613-R617 IonicContact OE1-NE 3.15Å; E613-R617 PolarHBondContact OE1-NE 3.49Å; E613-R617 IonicContact OE1-NH2 2.82Å; E613-R617 PolarHBondContact OE1-NH2 3.37Å; V614-R617 PolarHBondContact O-N 2.73Å; R617-N619 VanDerWaalsContact C-N 3.28Å; R617-N619 PolarHBondContact O-N 2.8Å; R617-K620 CarbonylContact O-C 3.55Å; R617-K620 WeakPolarHBondContact O-CA 3.3Å; R617-K620 PolarHBondContact O-N 3.22Å; R617-E621 WeakPolarHBondContact O-CB 3.45Å; R617-E621 WeakPolarHBondContact O-CG 3.07Å; R617-E621 PolarHBondContact O-N 3.49Å |
| 618 | L | 79.5 | Confident | 79 | Confident | 99 Ų | 99 | 102.8 Ų | 102.8 | 52% | 0.518 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -56.4 | -38.2 | 175.3 | -102.4 | 85.6 | 0 | 0 | 0 | 112.5 | V614 L622 | V614-L618 HydrophobicContact CG1-CD1 3.8Å; V614-L618 WeakPolarHBondContact O-CB 3.45Å; V614-L618 WeakPolarHBondContact O-CD1 3.07Å; V614-L618 PolarHBondContact O-N 3.06Å; L618-L622 WeakPolarHBondContact O-CA 3.46Å; L618-L622 WeakPolarHBondContact O-CB 3.16Å; L618-L622 PolarHBondContact O-N 2.86Å |
| 619 | N | 80.9 | Confident | 78.6 | Confident | 100 Ų | 100 | 102.9 Ų | 102.9 | 54% | 0.535 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -71.3 | -36.8 | 174.9 | -81.1 | -57.8 | 0 | 0 | 0 | 112.7 | N615 R617 E623 | N615-N619 VanDerWaalsContact O-CB 3.27Å; N615-N619 WeakPolarHBondContact O-CB 3.2Å; N615-N619 PolarHBondContact O-N 3.36Å; N615-N619 PolarHBondContact O-ND2 3.04Å; R617-N619 VanDerWaalsContact C-N 3.28Å; R617-N619 PolarHBondContact O-N 2.8Å; N619-E623 VanDerWaalsContact O-CB 3.24Å; N619-E623 WeakPolarHBondContact O-CB 3.36Å; N619-E623 PolarHBondContact O-N 3.2Å |
| 620 | K | 79 | Confident | 78.5 | Confident | 147 Ų | 147 | 102.9 Ų | 102.9 | 64% | 0.639 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -67.3 | -41.6 | 172.6 | -77 | 171.7 | 179.2 | 178.4 | 0 | 112 | R616 R617 M624 | R616-K620 WeakPolarHBondContact O-CB 3.37Å; R616-K620 VanDerWaalsContact O-CG 3.22Å; R616-K620 WeakPolarHBondContact O-CG 3.45Å; R616-K620 PolarHBondContact O-N 3.39Å; R617-K620 CarbonylContact O-C 3.55Å; R617-K620 WeakPolarHBondContact O-CA 3.3Å; R617-K620 PolarHBondContact O-N 3.22Å; K620-M624 WeakPolarHBondContact O-CB 3.31Å; K620-M624 PolarHBondContact O-N 2.84Å |
| 621 | E | 77.7 | Confident | 78 | Confident | 108 Ų | 108 | 104.6 Ų | 104.6 | 51% | 0.505 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -67 | -43.1 | 176.4 | -73 | 164.3 | -168.1 | 0 | 0 | 110.5 | R617 M624 T625 | R617-E621 WeakPolarHBondContact O-CB 3.45Å; R617-E621 WeakPolarHBondContact O-CG 3.07Å; R617-E621 PolarHBondContact O-N 3.49Å; E621-M624 PolarHBondContact O-N 3.42Å; E621-T625 WeakPolarHBondContact O-CA 3.23Å; E621-T625 WeakPolarHBondContact O-CB 3.42Å; E621-T625 PolarHBondContact O-N 2.78Å; E621-T625 PolarHBondContact O-OG1 2.91Å |
| 622 | L | 79.9 | Confident | 77.5 | Confident | 90 Ų | 90 | 102.9 Ų | 102.9 | 47% | 0.471 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -45.6 | 174 | -178.2 | 69 | 0 | 0 | 0 | 111.1 | L618 T625 K626 | L618-L622 WeakPolarHBondContact O-CA 3.46Å; L618-L622 WeakPolarHBondContact O-CB 3.16Å; L618-L622 PolarHBondContact O-N 2.86Å; L622-T625 CarbonylContact O-C 3.58Å; L622-T625 PolarHBondContact O-N 3.1Å; L622-K626 WeakPolarHBondContact O-CG 3.26Å; L622-K626 PolarHBondContact O-N 3.18Å |
| 623 | E | 79.6 | Confident | 77.3 | Confident | 107 Ų | 107 | 103.8 Ų | 103.8 | 50% | 0.5 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.7 | -34.8 | 179.5 | -156.5 | 64.5 | -162.9 | 0 | 0 | 111.9 | N619 T625 K626 M627 | N619-E623 VanDerWaalsContact O-CB 3.24Å; N619-E623 WeakPolarHBondContact O-CB 3.36Å; N619-E623 PolarHBondContact O-N 3.2Å; E623-T625 VanDerWaalsContact C-N 3.35Å; E623-K626 PolarHBondContact O-N 2.8Å; E623-K626 WeakPolarHBondContact OE2-CD 3.37Å; E623-K626 WeakPolarHBondContact OE2-CE 3.49Å; E623-K626 IonicContact OE2-NZ 2.65Å; E623-K626 PolarHBondContact OE2-NZ 3.33Å; E623-M627 WeakPolarHBondContact O-CB 3.28Å; E623-M627 PolarHBondContact O-N 2.87Å |
| 624 | M | 75.1 | Confident | 76.9 | Confident | 129 Ų | 129 | 103 Ų | 103 | 64% | 0.635 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -68.7 | -34.1 | 170.6 | -170.3 | 163.4 | 178.4 | 0 | 0 | 111.5 | K620 E621 M627 L628 | K620-M624 WeakPolarHBondContact O-CB 3.31Å; K620-M624 PolarHBondContact O-N 2.84Å; E621-M624 PolarHBondContact O-N 3.42Å; M624-M627 PolarHBondContact O-N 3.41Å; M624-L628 HydrophobicContact CG-CD1 4.39Å; M624-L628 WeakPolarHBondContact O-CB 3.49Å; M624-L628 VanDerWaalsContact O-CG 3.23Å; M624-L628 WeakPolarHBondContact O-CG 3.48Å; M624-L628 PolarHBondContact O-N 3.26Å |
| 625 | T | 75.6 | Confident | 76.2 | Confident | 84 Ų | 84 | 104.4 Ų | 104.4 | 52% | 0.515 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -71.2 | -34.9 | 173 | -57.8 | 0 | 0 | 0 | 0 | 111.1 | E621 L622 E623 L628 L629 | E621-T625 WeakPolarHBondContact O-CA 3.23Å; E621-T625 WeakPolarHBondContact O-CB 3.42Å; E621-T625 PolarHBondContact O-N 2.78Å; E621-T625 PolarHBondContact O-OG1 2.91Å; L622-T625 CarbonylContact O-C 3.58Å; L622-T625 PolarHBondContact O-N 3.1Å; E623-T625 VanDerWaalsContact C-N 3.35Å; T625-L628 CarbonylContact O-C 3.55Å; T625-L628 PolarHBondContact O-N 2.85Å; T625-L629 WeakPolarHBondContact O-CB 3.4Å; T625-L629 PolarHBondContact O-N 3.49Å |
| 626 | K | 79.8 | Confident | 75.6 | Confident | 95 Ų | 95 | 104.4 Ų | 104.4 | 41% | 0.413 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -67.1 | -44.2 | 169.3 | -71.7 | -179.5 | -157.2 | 156.1 | 0 | 111.7 | L622 E623 L628 L629 V630 | L622-K626 WeakPolarHBondContact O-CG 3.26Å; L622-K626 PolarHBondContact O-N 3.18Å; E623-K626 PolarHBondContact O-N 2.8Å; E623-K626 WeakPolarHBondContact OE2-CD 3.37Å; E623-K626 WeakPolarHBondContact OE2-CE 3.49Å; E623-K626 IonicContact OE2-NZ 2.65Å; E623-K626 PolarHBondContact OE2-NZ 3.33Å; K626-L628 VanDerWaalsContact C-N 3.29Å; K626-L628 PolarHBondContact O-N 3.37Å; K626-L629 PolarHBondContact O-N 3.34Å; K626-L629 VanDerWaalsContact O-N 3.14Å; K626-V630 WeakPolarHBondContact O-CB 3.48Å; K626-V630 WeakPolarHBondContact O-CG2 3.21Å; K626-V630 PolarHBondContact O-N 2.84Å |
| 627 | M | 79.4 | Confident | 75.3 | Confident | 140 Ų | 140 | 104 Ų | 104 | 69% | 0.69 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -57.6 | -43.9 | 172.8 | -100.9 | -79 | -175 | 0 | 0 | 111.2 | E623 M624 K631 | E623-M627 WeakPolarHBondContact O-CB 3.28Å; E623-M627 PolarHBondContact O-N 2.87Å; M624-M627 PolarHBondContact O-N 3.41Å; M627-K631 WeakPolarHBondContact O-CB 3.31Å; M627-K631 PolarHBondContact O-N 3.14Å |
| 628 | L | 76.2 | Confident | 75.1 | Confident | 105 Ų | 105 | 101.4 Ų | 101.4 | 55% | 0.55 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -69.6 | -33.4 | 174.5 | -72.7 | 169.1 | 0 | 0 | 0 | 112.5 | M624 T625 K626 A632 | M624-L628 HydrophobicContact CG-CD1 4.39Å; M624-L628 WeakPolarHBondContact O-CB 3.49Å; M624-L628 VanDerWaalsContact O-CG 3.23Å; M624-L628 WeakPolarHBondContact O-CG 3.48Å; M624-L628 PolarHBondContact O-N 3.26Å; T625-L628 CarbonylContact O-C 3.55Å; T625-L628 PolarHBondContact O-N 2.85Å; K626-L628 VanDerWaalsContact C-N 3.29Å; K626-L628 PolarHBondContact O-N 3.37Å; L628-A632 WeakPolarHBondContact O-CA 3.41Å; L628-A632 WeakPolarHBondContact O-CB 3.23Å; L628-A632 PolarHBondContact O-N 2.86Å |
| 629 | L | 74.8 | Confident | 74.5 | Confident | 102 Ų | 102 | 100 Ų | 100 | 53% | 0.534 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -71.4 | -45.8 | 177 | -175.3 | 65.8 | 0 | 0 | 0 | 111.5 | T625 K626 K631 A632 Q633 | T625-L629 WeakPolarHBondContact O-CB 3.4Å; T625-L629 PolarHBondContact O-N 3.49Å; K626-L629 PolarHBondContact O-N 3.34Å; K626-L629 VanDerWaalsContact O-N 3.14Å; L629-K631 VanDerWaalsContact C-N 3.34Å; L629-A632 CarbonylContact O-C 3.58Å; L629-A632 PolarHBondContact O-N 2.88Å; L629-Q633 WeakPolarHBondContact O-CB 3.39Å; L629-Q633 VanDerWaalsContact O-CG 3.26Å; L629-Q633 WeakPolarHBondContact O-CG 3.45Å; L629-Q633 PolarHBondContact O-N 3.42Å |
| 630 | V | 75.5 | Confident | 74.1 | Confident | 93 Ų | 93 | 100 Ų | 100 | 56% | 0.564 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -64.1 | -41.4 | 174.3 | 171.4 | 0 | 0 | 0 | 0 | 110.2 | K626 Q633 S634 | K626-V630 WeakPolarHBondContact O-CB 3.48Å; K626-V630 WeakPolarHBondContact O-CG2 3.21Å; K626-V630 PolarHBondContact O-N 2.84Å; V630-Q633 PolarHBondContact O-N 3.01Å; V630-S634 PolarHBondContact O-N 2.73Å; V630-S634 PolarHBondContact O-OG 3.03Å |
| 631 | K | 69.4 | Low | 73.7 | Confident | 140 Ų | 140 | 99.4 Ų | 99.4 | 61% | 0.609 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.2 | -41.3 | 174.3 | -168.5 | 170.8 | -176.9 | 179 | 0 | 111.6 | M627 L629 Q633 S634 V635 | M627-K631 WeakPolarHBondContact O-CB 3.31Å; M627-K631 PolarHBondContact O-N 3.14Å; L629-K631 VanDerWaalsContact C-N 3.34Å; K631-Q633 VanDerWaalsContact C-N 3.35Å; K631-S634 WeakPolarHBondContact CA-OG 3.48Å; K631-S634 PolarHBondContact O-N 3.06Å; K631-S634 PolarHBondContact O-OG 3.35Å; K631-V635 WeakPolarHBondContact O-CB 3.44Å; K631-V635 VanDerWaalsContact O-CG2 3.28Å; K631-V635 WeakPolarHBondContact O-CG2 3.34Å; K631-V635 PolarHBondContact O-N 3.08Å |
| 632 | A | 67 | Low | 73.4 | Confident | 52 Ų | 52 | 98 Ų | 98 | 43% | 0.43 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -64.9 | -36.9 | 174.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L628 L629 V635 N636 | L628-A632 WeakPolarHBondContact O-CA 3.41Å; L628-A632 WeakPolarHBondContact O-CB 3.23Å; L628-A632 PolarHBondContact O-N 2.86Å; L629-A632 CarbonylContact O-C 3.58Å; L629-A632 PolarHBondContact O-N 2.88Å; A632-V635 PolarHBondContact O-N 2.81Å; A632-N636 WeakPolarHBondContact O-CB 3.2Å; A632-N636 PolarHBondContact O-N 2.9Å |
| 633 | Q | 71.6 | Confident | 73.1 | Confident | 106 Ų | 106 | 99.2 Ų | 99.2 | 50% | 0.495 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -63.2 | -50.4 | 172.6 | -77.3 | 171.6 | -47.5 | 0 | 0 | 110.6 | L629 V630 K631 V635 N636 E637 | L629-Q633 WeakPolarHBondContact O-CB 3.39Å; L629-Q633 VanDerWaalsContact O-CG 3.26Å; L629-Q633 WeakPolarHBondContact O-CG 3.45Å; L629-Q633 PolarHBondContact O-N 3.42Å; V630-Q633 PolarHBondContact O-N 3.01Å; K631-Q633 VanDerWaalsContact C-N 3.35Å; Q633-V635 VanDerWaalsContact C-N 3.3Å; Q633-V635 PolarHBondContact O-N 2.82Å; Q633-N636 CarbonylContact O-C 3.52Å; Q633-N636 PolarHBondContact O-N 2.72Å; Q633-E637 WeakPolarHBondContact O-CG 3.33Å; Q633-E637 PolarHBondContact O-N 3.05Å |
| 634 | S | 70.7 | Confident | 72.9 | Confident | 54 Ų | 54 | 96.6 Ų | 96.6 | 38% | 0.378 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -62.5 | -35 | 176.1 | 67.4 | 0 | 0 | 0 | 0 | 113.3 | V630 K631 V638 | V630-S634 PolarHBondContact O-N 2.73Å; V630-S634 PolarHBondContact O-OG 3.03Å; K631-S634 WeakPolarHBondContact CA-OG 3.48Å; K631-S634 PolarHBondContact O-N 3.06Å; K631-S634 PolarHBondContact O-OG 3.35Å; S634-V638 WeakPolarHBondContact O-CB 3.38Å; S634-V638 VanDerWaalsContact O-CG2 3.29Å; S634-V638 WeakPolarHBondContact O-CG2 3.25Å; S634-V638 PolarHBondContact O-N 3.08Å; S634-V638 VanDerWaalsContact O-N 3.11Å |
| 635 | V | 69.3 | Low | 72.8 | Confident | 78 Ų | 78 | 93.6 Ų | 93.6 | 47% | 0.473 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -70.3 | -37.4 | 173.6 | 167.2 | 0 | 0 | 0 | 0 | 110.5 | K631 A632 Q633 V638 N639 | K631-V635 WeakPolarHBondContact O-CB 3.44Å; K631-V635 VanDerWaalsContact O-CG2 3.28Å; K631-V635 WeakPolarHBondContact O-CG2 3.34Å; K631-V635 PolarHBondContact O-N 3.08Å; A632-V635 PolarHBondContact O-N 2.81Å; Q633-V635 VanDerWaalsContact C-N 3.3Å; Q633-V635 PolarHBondContact O-N 2.82Å; V635-V638 CarbonylContact O-C 3.54Å; V635-V638 PolarHBondContact O-N 3.35Å; V635-N639 VanDerWaalsContact O-CB 3.31Å; V635-N639 WeakPolarHBondContact O-CB 3.2Å; V635-N639 PolarHBondContact O-N 2.93Å |
| 636 | N | 69.7 | Low | 72.6 | Confident | 94 Ų | 94 | 93.9 Ų | 93.9 | 50% | 0.503 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -77.4 | -31.4 | -179.2 | -165.5 | 89 | 0 | 0 | 0 | 112.5 | A632 Q633 N639 I640 | A632-N636 WeakPolarHBondContact O-CB 3.2Å; A632-N636 PolarHBondContact O-N 2.9Å; Q633-N636 CarbonylContact O-C 3.52Å; Q633-N636 PolarHBondContact O-N 2.72Å; N636-N639 PolarHBondContact O-N 2.82Å; N636-I640 VanDerWaalsContact ND2-CD1 3.32Å; N636-I640 WeakPolarHBondContact ND2-CD1 3.45Å; N636-I640 WeakPolarHBondContact O-CB 3.46Å; N636-I640 WeakPolarHBondContact O-CD1 3.12Å; N636-I640 WeakPolarHBondContact O-CG1 3.24Å; N636-I640 PolarHBondContact O-N 3.41Å |
| 637 | E | 73.3 | Confident | 72.4 | Confident | 128 Ų | 128 | 91 Ų | 91 | 60% | 0.598 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -63.4 | -49.8 | 167 | -73.9 | 173.8 | 143.9 | 0 | 0 | 109.7 | Q633 N639 I640 E641 | Q633-E637 WeakPolarHBondContact O-CG 3.33Å; Q633-E637 PolarHBondContact O-N 3.05Å; E637-N639 VanDerWaalsContact C-N 3.3Å; E637-N639 PolarHBondContact O-N 2.74Å; E637-I640 PolarHBondContact O-N 2.73Å; E637-I640 VanDerWaalsContact O-N 3.15Å; E637-E641 WeakPolarHBondContact O-CG 3.3Å; E637-E641 PolarHBondContact O-N 3.21Å |
| 638 | V | 72.6 | Confident | 72.2 | Confident | 79 Ų | 79 | 90.9 Ų | 90.9 | 48% | 0.479 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.4 | -32 | 174.3 | 173.1 | 0 | 0 | 0 | 0 | 112.2 | S634 V635 T642 | S634-V638 WeakPolarHBondContact O-CB 3.38Å; S634-V638 VanDerWaalsContact O-CG2 3.29Å; S634-V638 WeakPolarHBondContact O-CG2 3.25Å; S634-V638 PolarHBondContact O-N 3.08Å; S634-V638 VanDerWaalsContact O-N 3.11Å; V635-V638 CarbonylContact O-C 3.54Å; V635-V638 PolarHBondContact O-N 3.35Å; V638-T642 HydrophobicContact CG1-CG2 4.28Å; V638-T642 VanDerWaalsContact O-CB 3.31Å; V638-T642 WeakPolarHBondContact O-CB 3.36Å; V638-T642 WeakPolarHBondContact O-CG2 2.91Å; V638-T642 PolarHBondContact O-N 3.31Å; V638-T642 PolarHBondContact O-OG1 3.4Å |
| 639 | N | 67.3 | Low | 71.9 | Confident | 70 Ų | 70 | 90.6 Ų | 90.6 | 37% | 0.374 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -70.3 | -38.3 | 173.4 | -124.7 | 80.1 | 0 | 0 | 0 | 111.1 | V635 N636 E637 T642 E643 | V635-N639 VanDerWaalsContact O-CB 3.31Å; V635-N639 WeakPolarHBondContact O-CB 3.2Å; V635-N639 PolarHBondContact O-N 2.93Å; N636-N639 PolarHBondContact O-N 2.82Å; E637-N639 VanDerWaalsContact C-N 3.3Å; E637-N639 PolarHBondContact O-N 2.74Å; N639-T642 WeakPolarHBondContact CA-OG1 3.37Å; N639-T642 PolarHBondContact O-OG1 3.19Å; N639-E643 PolarHBondContact ND2-OE1 3.1Å; N639-E643 WeakPolarHBondContact O-CA 3.15Å; N639-E643 WeakPolarHBondContact O-CB 3.31Å; N639-E643 WeakPolarHBondContact O-CG 3.42Å; N639-E643 PolarHBondContact O-N 3Å |
| 640 | I | 71.9 | Confident | 71.8 | Confident | 99 Ų | 99 | 91.9 Ų | 91.9 | 51% | 0.508 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -68.3 | -41.8 | 174.6 | -72.4 | 164.6 | 0 | 0 | 0 | 110.5 | N636 E637 A644 | N636-I640 VanDerWaalsContact ND2-CD1 3.32Å; N636-I640 WeakPolarHBondContact ND2-CD1 3.45Å; N636-I640 WeakPolarHBondContact O-CB 3.46Å; N636-I640 WeakPolarHBondContact O-CD1 3.12Å; N636-I640 WeakPolarHBondContact O-CG1 3.24Å; N636-I640 PolarHBondContact O-N 3.41Å; E637-I640 PolarHBondContact O-N 2.73Å; E637-I640 VanDerWaalsContact O-N 3.15Å; I640-A644 WeakPolarHBondContact O-CB 3.08Å; I640-A644 PolarHBondContact O-N 3.36Å |
| 641 | E | 70.6 | Confident | 71.7 | Confident | 135 Ų | 135 | 95.6 Ų | 95.6 | 63% | 0.631 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -65.3 | -41.7 | 174.9 | -72.8 | -174.3 | 152.4 | 0 | 0 | 111.8 | E637 S645 | E637-E641 WeakPolarHBondContact O-CG 3.3Å; E637-E641 PolarHBondContact O-N 3.21Å; E641-S645 WeakPolarHBondContact O-CB 3.46Å; E641-S645 PolarHBondContact O-N 2.81Å |
| 642 | T | 72.3 | Confident | 72.1 | Confident | 78 Ų | 78 | 94.4 Ų | 94.4 | 48% | 0.479 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -77.1 | -29.4 | 177.5 | 54 | 0 | 0 | 0 | 0 | 113.1 | V638 N639 L646 | V638-T642 HydrophobicContact CG1-CG2 4.28Å; V638-T642 VanDerWaalsContact O-CB 3.31Å; V638-T642 WeakPolarHBondContact O-CB 3.36Å; V638-T642 WeakPolarHBondContact O-CG2 2.91Å; V638-T642 PolarHBondContact O-N 3.31Å; V638-T642 PolarHBondContact O-OG1 3.4Å; N639-T642 WeakPolarHBondContact CA-OG1 3.37Å; N639-T642 PolarHBondContact O-OG1 3.19Å; T642-L646 WeakPolarHBondContact O-CA 3.48Å; T642-L646 WeakPolarHBondContact O-CB 3.17Å; T642-L646 PolarHBondContact O-N 2.75Å |
| 643 | E | 72.9 | Confident | 72.4 | Confident | 116 Ų | 116 | 95.8 Ų | 95.8 | 54% | 0.542 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -71.5 | -38.2 | 169.3 | -78.4 | 173.9 | -149 | 0 | 0 | 111.6 | N639 L646 A647 | N639-E643 PolarHBondContact ND2-OE1 3.1Å; N639-E643 WeakPolarHBondContact O-CA 3.15Å; N639-E643 WeakPolarHBondContact O-CB 3.31Å; N639-E643 WeakPolarHBondContact O-CG 3.42Å; N639-E643 PolarHBondContact O-N 3Å; E643-L646 PolarHBondContact O-N 3.41Å; E643-A647 WeakPolarHBondContact O-CB 3.18Å; E643-A647 PolarHBondContact O-N 3.22Å |
| 644 | A | 75.2 | Confident | 72.7 | Confident | 52 Ų | 52 | 96.6 Ų | 96.6 | 43% | 0.43 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -65.6 | -48.6 | 172.8 | 0 | 0 | 0 | 0 | 0 | 110.9 | I640 L646 A647 E648 | I640-A644 WeakPolarHBondContact O-CB 3.08Å; I640-A644 PolarHBondContact O-N 3.36Å; A644-L646 VanDerWaalsContact C-N 3.33Å; A644-L646 PolarHBondContact O-N 3.08Å; A644-A647 CarbonylContact O-C 3.53Å; A644-A647 WeakPolarHBondContact O-CA 3.34Å; A644-A647 WeakPolarHBondContact O-CB 3.47Å; A644-A647 PolarHBondContact O-N 2.71Å; A644-E648 PolarHBondContact O-N 2.68Å |
| 645 | S | 73.6 | Confident | 73 | Confident | 66 Ų | 66 | 99.2 Ų | 99.2 | 46% | 0.462 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -65.4 | -34.7 | 175.9 | -173 | 0 | 0 | 0 | 0 | 112.1 | E641 M649 | E641-S645 WeakPolarHBondContact O-CB 3.46Å; E641-S645 PolarHBondContact O-N 2.81Å; S645-M649 VanDerWaalsContact O-CB 3.23Å; S645-M649 WeakPolarHBondContact O-CB 3.07Å; S645-M649 WeakPolarHBondContact O-CG 3.39Å; S645-M649 PolarHBondContact O-N 2.85Å |
| 646 | L | 72.1 | Confident | 73.2 | Confident | 89 Ų | 89 | 99.5 Ų | 99.5 | 47% | 0.466 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -69.4 | -31.2 | 170.5 | -176.3 | 67.3 | 0 | 0 | 0 | 111.8 | T642 E643 A644 K650 | T642-L646 WeakPolarHBondContact O-CA 3.48Å; T642-L646 WeakPolarHBondContact O-CB 3.17Å; T642-L646 PolarHBondContact O-N 2.75Å; E643-L646 PolarHBondContact O-N 3.41Å; A644-L646 VanDerWaalsContact C-N 3.33Å; A644-L646 PolarHBondContact O-N 3.08Å; L646-K650 HydrophobicContact CG-CD 4.18Å; L646-K650 WeakPolarHBondContact O-CB 3.33Å; L646-K650 WeakPolarHBondContact O-CG 3.29Å; L646-K650 PolarHBondContact O-N 2.74Å |
| 647 | A | 74.2 | Confident | 73.6 | Confident | 35 Ų | 35 | 98.9 Ų | 98.9 | 29% | 0.289 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -77 | -32.6 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | E643 A644 R651 | E643-A647 WeakPolarHBondContact O-CB 3.18Å; E643-A647 PolarHBondContact O-N 3.22Å; A644-A647 CarbonylContact O-C 3.53Å; A644-A647 WeakPolarHBondContact O-CA 3.34Å; A644-A647 WeakPolarHBondContact O-CB 3.47Å; A644-A647 PolarHBondContact O-N 2.71Å; A647-R651 WeakPolarHBondContact O-CB 3.13Å; A647-R651 WeakPolarHBondContact O-CG 3.48Å; A647-R651 PolarHBondContact O-N 3.07Å |
| 648 | E | 76 | Confident | 73.9 | Confident | 137 Ų | 137 | 95.7 Ų | 95.7 | 64% | 0.64 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -69.2 | -50.1 | 167.8 | -72.5 | -170.1 | 139.2 | 0 | 0 | 110.5 | A644 K650 R651 E652 | A644-E648 PolarHBondContact O-N 2.68Å; E648-K650 VanDerWaalsContact C-N 3.26Å; E648-K650 PolarHBondContact O-N 3.14Å; E648-R651 CarbonylContact O-C 3.57Å; E648-R651 PolarHBondContact O-N 2.87Å; E648-E652 WeakPolarHBondContact O-CB 3.23Å; E648-E652 PolarHBondContact O-N 3.37Å |
| 649 | M | 69.4 | Low | 74.3 | Confident | 99 Ų | 99 | 98.1 Ų | 98.1 | 49% | 0.488 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -55.1 | -39 | 171 | -85.7 | -78.3 | -71 | 0 | 0 | 112.1 | S645 N653 | S645-M649 VanDerWaalsContact O-CB 3.23Å; S645-M649 WeakPolarHBondContact O-CB 3.07Å; S645-M649 WeakPolarHBondContact O-CG 3.39Å; S645-M649 PolarHBondContact O-N 2.85Å; M649-N653 WeakPolarHBondContact O-CB 3.39Å; M649-N653 PolarHBondContact O-N 3.32Å; M649-N653 PolarHBondContact O-ND2 2.77Å |
| 650 | K | 73.8 | Confident | 74.7 | Confident | 130 Ų | 130 | 99.3 Ų | 99.3 | 57% | 0.565 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -70.7 | -37.2 | 174.8 | -80.9 | 170.6 | 179.1 | 176.3 | 0 | 112.3 | L646 E648 Q654 | L646-K650 HydrophobicContact CG-CD 4.18Å; L646-K650 WeakPolarHBondContact O-CB 3.33Å; L646-K650 WeakPolarHBondContact O-CG 3.29Å; L646-K650 PolarHBondContact O-N 2.74Å; E648-K650 VanDerWaalsContact C-N 3.26Å; E648-K650 PolarHBondContact O-N 3.14Å; K650-Q654 WeakPolarHBondContact O-CB 3.14Å; K650-Q654 PolarHBondContact O-N 2.78Å |
| 651 | R | 73.1 | Confident | 75 | Confident | 171 Ų | 171 | 100 Ų | 100 | 65% | 0.645 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -68.7 | -39.7 | 173.2 | -82.2 | -172.5 | 177 | 94.6 | -2.5 | 112.4 | A647 E648 Q654 L655 | A647-R651 WeakPolarHBondContact O-CB 3.13Å; A647-R651 WeakPolarHBondContact O-CG 3.48Å; A647-R651 PolarHBondContact O-N 3.07Å; E648-R651 CarbonylContact O-C 3.57Å; E648-R651 PolarHBondContact O-N 2.87Å; R651-Q654 PolarHBondContact O-N 2.75Å; R651-L655 WeakPolarHBondContact O-CB 3.29Å; R651-L655 PolarHBondContact O-N 3.46Å |
| 652 | E | 77.9 | Confident | 75.3 | Confident | 115 Ų | 115 | 102 Ų | 102 | 54% | 0.537 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.6 | -46.6 | 175.8 | -175.8 | 169.9 | -157.5 | 0 | 0 | 110.4 | E648 Q654 L655 L656 | E648-E652 WeakPolarHBondContact O-CB 3.23Å; E648-E652 PolarHBondContact O-N 3.37Å; E652-Q654 VanDerWaalsContact C-N 3.34Å; E652-Q654 PolarHBondContact O-N 3.32Å; E652-L655 CarbonylContact O-C 3.58Å; E652-L655 WeakPolarHBondContact O-CB 3.05Å; E652-L655 PolarHBondContact O-N 3.34Å; E652-L655 VanDerWaalsContact O-N 3.17Å; E652-L656 HydrophobicContact CG-CD1 4.08Å; E652-L656 HydrophobicContact CG-CG 4.48Å; E652-L656 WeakPolarHBondContact O-CB 3.48Å; E652-L656 VanDerWaalsContact O-CG 3.27Å; E652-L656 WeakPolarHBondContact O-CG 3.44Å; E652-L656 PolarHBondContact O-N 2.8Å |
| 653 | N | 72.5 | Confident | 75.4 | Confident | 80 Ų | 80 | 103.5 Ų | 103.5 | 43% | 0.428 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -60.3 | -42.4 | 171.7 | -82.5 | -84.8 | 0 | 0 | 0 | 111.2 | M649 L655 L656 T657 | M649-N653 WeakPolarHBondContact O-CB 3.39Å; M649-N653 PolarHBondContact O-N 3.32Å; M649-N653 PolarHBondContact O-ND2 2.77Å; N653-L655 VanDerWaalsContact C-N 3.33Å; N653-L655 PolarHBondContact O-N 3.41Å; N653-L656 CarbonylContact O-C 3.52Å; N653-L656 WeakPolarHBondContact O-CA 3.2Å; N653-L656 PolarHBondContact O-N 3.14Å; N653-L656 VanDerWaalsContact O-N 3.09Å; N653-T657 WeakPolarHBondContact O-CB 3.4Å; N653-T657 PolarHBondContact O-N 3.38Å; N653-T657 PolarHBondContact O-OG1 2.74Å |
| 654 | Q | 78 | Confident | 75.5 | Confident | 124 Ų | 124 | 103.6 Ų | 103.6 | 58% | 0.579 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.7 | -32.5 | 176.1 | -167.6 | 170.3 | 30.4 | 0 | 0 | 112.2 | K650 R651 E652 N658 | K650-Q654 WeakPolarHBondContact O-CB 3.14Å; K650-Q654 PolarHBondContact O-N 2.78Å; R651-Q654 PolarHBondContact O-N 2.75Å; E652-Q654 VanDerWaalsContact C-N 3.34Å; E652-Q654 PolarHBondContact O-N 3.32Å; Q654-N658 VanDerWaalsContact O-CB 3.23Å; Q654-N658 WeakPolarHBondContact O-CB 2.97Å; Q654-N658 PolarHBondContact O-N 3.42Å; Q654-N658 PolarHBondContact O-ND2 2.74Å; Q654-N658 PolarHBondContact O-OD1 2.82Å; Q654-N658 VanDerWaalsContact O-OD1 3.1Å |
| 655 | L | 76.8 | Confident | 75.6 | Confident | 109 Ų | 109 | 104.9 Ų | 104.9 | 57% | 0.571 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -69.3 | -33.4 | 169.3 | -91 | 163.2 | 0 | 0 | 0 | 112.8 | R651 E652 N653 K659 | R651-L655 WeakPolarHBondContact O-CB 3.29Å; R651-L655 PolarHBondContact O-N 3.46Å; E652-L655 CarbonylContact O-C 3.58Å; E652-L655 WeakPolarHBondContact O-CB 3.05Å; E652-L655 PolarHBondContact O-N 3.34Å; E652-L655 VanDerWaalsContact O-N 3.17Å; N653-L655 VanDerWaalsContact C-N 3.33Å; N653-L655 PolarHBondContact O-N 3.41Å; L655-K659 VanDerWaalsContact O-CB 3.31Å; L655-K659 WeakPolarHBondContact O-CB 3.03Å; L655-K659 VanDerWaalsContact O-CG 3.3Å; L655-K659 WeakPolarHBondContact O-CG 3.17Å; L655-K659 PolarHBondContact O-N 3.39Å |
| 656 | L | 74.1 | Confident | 75.6 | Confident | 83 Ų | 83 | 104.2 Ų | 104.2 | 44% | 0.435 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -75.8 | -36.4 | 175 | -70.8 | 169.5 | 0 | 0 | 0 | 111.6 | E652 N653 K659 L660 | E652-L656 HydrophobicContact CG-CD1 4.08Å; E652-L656 HydrophobicContact CG-CG 4.48Å; E652-L656 WeakPolarHBondContact O-CB 3.48Å; E652-L656 VanDerWaalsContact O-CG 3.27Å; E652-L656 WeakPolarHBondContact O-CG 3.44Å; E652-L656 PolarHBondContact O-N 2.8Å; N653-L656 CarbonylContact O-C 3.52Å; N653-L656 WeakPolarHBondContact O-CA 3.2Å; N653-L656 PolarHBondContact O-N 3.14Å; N653-L656 VanDerWaalsContact O-N 3.09Å; L656-K659 CarbonylContact O-C 3.38Å; L656-K659 PolarHBondContact O-N 3.13Å; L656-L660 WeakPolarHBondContact O-CB 3.35Å; L656-L660 WeakPolarHBondContact O-CG 3.46Å; L656-L660 PolarHBondContact O-N 3.48Å |
| 657 | T | 76.9 | Confident | 75.9 | Confident | 82 Ų | 82 | 104.5 Ų | 104.5 | 50% | 0.503 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.1 | -50.1 | 169.9 | -56.8 | 0 | 0 | 0 | 0 | 109.8 | N653 K659 L660 E661 | N653-T657 WeakPolarHBondContact O-CB 3.4Å; N653-T657 PolarHBondContact O-N 3.38Å; N653-T657 PolarHBondContact O-OG1 2.74Å; T657-K659 PolarHBondContact O-N 2.86Å; T657-K659 VanDerWaalsContact O-N 3.17Å; T657-L660 CarbonylContact O-C 3.44Å; T657-L660 PolarHBondContact O-N 3.05Å; T657-E661 VanDerWaalsContact O-CB 3.29Å; T657-E661 WeakPolarHBondContact O-CB 3.41Å; T657-E661 PolarHBondContact O-N 2.89Å |
| 658 | N | 80.8 | Confident | 76.1 | Confident | 60 Ų | 60 | 105.8 Ų | 105.8 | 32% | 0.321 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -62.8 | -23.5 | 174.7 | -65.9 | 0.8 | 0 | 0 | 0 | 112.5 | Q654 R662 | Q654-N658 VanDerWaalsContact O-CB 3.23Å; Q654-N658 WeakPolarHBondContact O-CB 2.97Å; Q654-N658 PolarHBondContact O-N 3.42Å; Q654-N658 PolarHBondContact O-ND2 2.74Å; Q654-N658 PolarHBondContact O-OD1 2.82Å; Q654-N658 VanDerWaalsContact O-OD1 3.1Å; N658-R662 WeakPolarHBondContact O-CB 3.27Å; N658-R662 WeakPolarHBondContact O-CD 3.43Å; N658-R662 WeakPolarHBondContact O-CG 3.46Å; N658-R662 PolarHBondContact O-N 3.48Å |
| 659 | K | 81.4 | Confident | 76.3 | Confident | 131 Ų | 131 | 103.6 Ų | 103.6 | 57% | 0.57 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -80.9 | -40 | 170.5 | -85.9 | 178.3 | 174.4 | 179.9 | 0 | 112.3 | L655 L656 T657 R662 L663 | L655-K659 VanDerWaalsContact O-CB 3.31Å; L655-K659 WeakPolarHBondContact O-CB 3.03Å; L655-K659 VanDerWaalsContact O-CG 3.3Å; L655-K659 WeakPolarHBondContact O-CG 3.17Å; L655-K659 PolarHBondContact O-N 3.39Å; L656-K659 CarbonylContact O-C 3.38Å; L656-K659 PolarHBondContact O-N 3.13Å; T657-K659 PolarHBondContact O-N 2.86Å; T657-K659 VanDerWaalsContact O-N 3.17Å; K659-R662 PolarHBondContact O-N 3.44Å; K659-L663 WeakPolarHBondContact O-CB 3.29Å; K659-L663 VanDerWaalsContact O-CG 3.23Å; K659-L663 WeakPolarHBondContact O-CG 3.45Å; K659-L663 PolarHBondContact O-N 2.8Å |
| 660 | L | 74.4 | Confident | 76.4 | Confident | 94 Ų | 94 | 104.6 Ų | 104.6 | 49% | 0.492 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -62.9 | -52.8 | 174.3 | -84.2 | 163.5 | 0 | 0 | 0 | 109.8 | L656 T657 R662 L663 E664 | L656-L660 WeakPolarHBondContact O-CB 3.35Å; L656-L660 WeakPolarHBondContact O-CG 3.46Å; L656-L660 PolarHBondContact O-N 3.48Å; T657-L660 CarbonylContact O-C 3.44Å; T657-L660 PolarHBondContact O-N 3.05Å; L660-R662 PolarHBondContact O-N 3.48Å; L660-L663 CarbonylContact O-C 3.6Å; L660-L663 WeakPolarHBondContact O-CA 3.42Å; L660-L663 PolarHBondContact O-N 3.15Å; L660-E664 WeakPolarHBondContact O-CB 3.16Å; L660-E664 VanDerWaalsContact O-CG 3.29Å; L660-E664 WeakPolarHBondContact O-CG 3.41Å; L660-E664 PolarHBondContact O-N 2.78Å |
| 661 | E | 79.7 | Confident | 76.7 | Confident | 113 Ų | 113 | 102.4 Ų | 102.4 | 53% | 0.528 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -54.6 | -38.3 | 174.3 | -175.8 | -175.6 | -144 | 0 | 0 | 112.1 | T657 T665 | T657-E661 VanDerWaalsContact O-CB 3.29Å; T657-E661 WeakPolarHBondContact O-CB 3.41Å; T657-E661 PolarHBondContact O-N 2.89Å; E661-T665 WeakPolarHBondContact O-CB 3.17Å; E661-T665 WeakPolarHBondContact O-CG2 3.41Å; E661-T665 PolarHBondContact O-N 2.89Å; E661-T665 PolarHBondContact O-OG1 2.8Å |
| 662 | R | 75.7 | Confident | 77 | Confident | 179 Ų | 179 | 100.5 Ų | 100.5 | 68% | 0.675 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -71.5 | -30.7 | 172.8 | -76.5 | 172.3 | -169.5 | -175.4 | 1.2 | 114 | N658 K659 L660 T665 A666 | N658-R662 WeakPolarHBondContact O-CB 3.27Å; N658-R662 WeakPolarHBondContact O-CD 3.43Å; N658-R662 WeakPolarHBondContact O-CG 3.46Å; N658-R662 PolarHBondContact O-N 3.48Å; K659-R662 PolarHBondContact O-N 3.44Å; L660-R662 PolarHBondContact O-N 3.48Å; R662-T665 WeakPolarHBondContact CA-OG1 3.47Å; R662-T665 PolarHBondContact O-OG1 3.2Å; R662-A666 WeakPolarHBondContact O-CB 3.4Å; R662-A666 PolarHBondContact O-N 2.93Å |
| 663 | L | 75.4 | Confident | 77.1 | Confident | 108 Ų | 108 | 103.6 Ų | 103.6 | 57% | 0.565 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -81.2 | -31.4 | 175.3 | -73.5 | 168 | 0 | 0 | 0 | 111.7 | K659 L660 L667 | K659-L663 WeakPolarHBondContact O-CB 3.29Å; K659-L663 VanDerWaalsContact O-CG 3.23Å; K659-L663 WeakPolarHBondContact O-CG 3.45Å; K659-L663 PolarHBondContact O-N 2.8Å; L660-L663 CarbonylContact O-C 3.6Å; L660-L663 WeakPolarHBondContact O-CA 3.42Å; L660-L663 PolarHBondContact O-N 3.15Å; L663-L667 WeakPolarHBondContact O-CB 3.44Å; L663-L667 VanDerWaalsContact O-CG 3.31Å; L663-L667 WeakPolarHBondContact O-CG 3.46Å; L663-L667 PolarHBondContact O-N 3.07Å |
| 664 | E | 75 | Confident | 77.2 | Confident | 119 Ų | 119 | 103.9 Ų | 103.9 | 56% | 0.556 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -75.5 | -39.5 | 175.4 | -72.8 | 168.8 | 166.3 | 0 | 0 | 110.5 | L660 S668 | L660-E664 WeakPolarHBondContact O-CB 3.16Å; L660-E664 VanDerWaalsContact O-CG 3.29Å; L660-E664 WeakPolarHBondContact O-CG 3.41Å; L660-E664 PolarHBondContact O-N 2.78Å; E664-S668 WeakPolarHBondContact O-CB 3.43Å; E664-S668 PolarHBondContact O-N 2.86Å |
| 665 | T | 76.5 | Confident | 77.2 | Confident | 79 Ų | 79 | 101.8 Ų | 101.8 | 49% | 0.485 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.9 | -36.9 | 168.6 | 49 | 0 | 0 | 0 | 0 | 111.9 | E661 R662 S668 V669 | E661-T665 WeakPolarHBondContact O-CB 3.17Å; E661-T665 WeakPolarHBondContact O-CG2 3.41Å; E661-T665 PolarHBondContact O-N 2.89Å; E661-T665 PolarHBondContact O-OG1 2.8Å; R662-T665 WeakPolarHBondContact CA-OG1 3.47Å; R662-T665 PolarHBondContact O-OG1 3.2Å; T665-S668 PolarHBondContact O-N 3.36Å; T665-V669 WeakPolarHBondContact O-CB 3.18Å; T665-V669 VanDerWaalsContact O-CG2 3.29Å; T665-V669 WeakPolarHBondContact O-CG2 3.37Å; T665-V669 PolarHBondContact O-N 3.16Å |
| 666 | A | 74.7 | Confident | 77.2 | Confident | 52 Ų | 52 | 101.2 Ų | 101.2 | 43% | 0.43 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -65.8 | -41.5 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | R662 V669 Q670 | R662-A666 WeakPolarHBondContact O-CB 3.4Å; R662-A666 PolarHBondContact O-N 2.93Å; A666-V669 PolarHBondContact O-N 2.67Å; A666-Q670 VanDerWaalsContact O-CB 3.28Å; A666-Q670 WeakPolarHBondContact O-CB 3.47Å; A666-Q670 PolarHBondContact O-N 3.27Å |
| 667 | L | 76.8 | Confident | 77.3 | Confident | 95 Ų | 95 | 101.5 Ų | 101.5 | 50% | 0.497 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -64.3 | -44.8 | 172.3 | -85.8 | 163.5 | 0 | 0 | 0 | 111 | L663 V669 Q670 D671 | L663-L667 WeakPolarHBondContact O-CB 3.44Å; L663-L667 VanDerWaalsContact O-CG 3.31Å; L663-L667 WeakPolarHBondContact O-CG 3.46Å; L663-L667 PolarHBondContact O-N 3.07Å; L667-V669 PolarHBondContact O-N 3.49Å; L667-Q670 CarbonylContact O-C 3.52Å; L667-Q670 WeakPolarHBondContact O-CA 3.41Å; L667-Q670 WeakPolarHBondContact O-CB 3.04Å; L667-Q670 PolarHBondContact O-N 2.78Å; L667-Q670 VanDerWaalsContact O-N 3.08Å; L667-D671 WeakPolarHBondContact O-CB 3.5Å; L667-D671 PolarHBondContact O-N 3.33Å |
| 668 | S | 78.8 | Confident | 77.4 | Confident | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 176.6 | -170.6 | 0 | 0 | 0 | 0 | 111.8 | E664 T665 Q670 D671 E672 | E664-S668 WeakPolarHBondContact O-CB 3.43Å; E664-S668 PolarHBondContact O-N 2.86Å; T665-S668 PolarHBondContact O-N 3.36Å; S668-Q670 VanDerWaalsContact C-N 3.32Å; S668-D671 PolarHBondContact O-N 3.5Å; S668-E672 VanDerWaalsContact O-CB 3.3Å; S668-E672 WeakPolarHBondContact O-CB 3.25Å; S668-E672 WeakPolarHBondContact O-CG 3.41Å; S668-E672 PolarHBondContact O-N 2.98Å |
| 669 | V | 80.7 | Confident | 77.5 | Confident | 91 Ų | 91 | 103.8 Ų | 103.8 | 55% | 0.552 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -68.1 | -33.1 | 173.9 | 168.5 | 0 | 0 | 0 | 0 | 111.3 | T665 A666 L667 R673 | T665-V669 WeakPolarHBondContact O-CB 3.18Å; T665-V669 VanDerWaalsContact O-CG2 3.29Å; T665-V669 WeakPolarHBondContact O-CG2 3.37Å; T665-V669 PolarHBondContact O-N 3.16Å; A666-V669 PolarHBondContact O-N 2.67Å; L667-V669 PolarHBondContact O-N 3.49Å; V669-R673 WeakPolarHBondContact O-CB 3.15Å; V669-R673 PolarHBondContact O-N 3.08Å |
| 670 | Q | 71.9 | Confident | 77.5 | Confident | 120 Ų | 120 | 101.2 Ų | 101.2 | 56% | 0.561 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -72.3 | -37.3 | 174.3 | -175.6 | 169.2 | -13 | 0 | 0 | 112.1 | A666 L667 S668 R673 L674 | A666-Q670 VanDerWaalsContact O-CB 3.28Å; A666-Q670 WeakPolarHBondContact O-CB 3.47Å; A666-Q670 PolarHBondContact O-N 3.27Å; L667-Q670 CarbonylContact O-C 3.52Å; L667-Q670 WeakPolarHBondContact O-CA 3.41Å; L667-Q670 WeakPolarHBondContact O-CB 3.04Å; L667-Q670 PolarHBondContact O-N 2.78Å; L667-Q670 VanDerWaalsContact O-N 3.08Å; S668-Q670 VanDerWaalsContact C-N 3.32Å; Q670-R673 CarbonylContact O-C 3.58Å; Q670-R673 PolarHBondContact O-N 3.34Å; Q670-L674 HydrophobicContact CG-CD1 4.36Å; Q670-L674 WeakPolarHBondContact O-CB 3.37Å; Q670-L674 VanDerWaalsContact O-CG 3.26Å; Q670-L674 WeakPolarHBondContact O-CG 3.16Å; Q670-L674 PolarHBondContact O-N 2.74Å |
| 671 | D | 80.7 | Confident | 77.9 | Confident | 84 Ų | 84 | 102.9 Ų | 102.9 | 45% | 0.449 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -76.1 | -38 | 177.9 | -76.1 | -22.2 | 0 | 0 | 0 | 111.1 | L667 S668 R673 L674 C675 | L667-D671 WeakPolarHBondContact O-CB 3.5Å; L667-D671 PolarHBondContact O-N 3.33Å; S668-D671 PolarHBondContact O-N 3.5Å; D671-R673 VanDerWaalsContact C-N 3.3Å; D671-R673 PolarHBondContact O-N 2.75Å; D671-L674 PolarHBondContact O-N 2.63Å; D671-C675 VanDerWaalsContact O-CB 3.3Å; D671-C675 WeakPolarHBondContact O-CB 3.14Å; D671-C675 PolarHBondContact O-N 3.45Å; D671-C675 PolarHBondContact O-SG 2.79Å |
| 672 | E | 77.8 | Confident | 77.9 | Confident | 130 Ų | 130 | 102.4 Ų | 102.4 | 61% | 0.607 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -60 | -42.2 | 166.1 | -80.7 | -172 | 160.2 | 0 | 0 | 110.6 | S668 C675 Q676 | S668-E672 VanDerWaalsContact O-CB 3.3Å; S668-E672 WeakPolarHBondContact O-CB 3.25Å; S668-E672 WeakPolarHBondContact O-CG 3.41Å; S668-E672 PolarHBondContact O-N 2.98Å; E672-C675 PolarHBondContact O-N 3.33Å; E672-Q676 VanDerWaalsContact O-CB 3.27Å; E672-Q676 WeakPolarHBondContact O-CB 3.28Å; E672-Q676 PolarHBondContact O-N 2.9Å |
| 673 | R | 81.1 | Confident | 78.3 | Confident | 180 Ų | 180 | 96.2 Ų | 96.2 | 68% | 0.679 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -71 | -32.7 | 177.3 | -168.4 | 166.3 | -171.5 | 149.5 | 4.1 | 112.7 | V669 Q670 D671 L677 | V669-R673 WeakPolarHBondContact O-CB 3.15Å; V669-R673 PolarHBondContact O-N 3.08Å; Q670-R673 CarbonylContact O-C 3.58Å; Q670-R673 PolarHBondContact O-N 3.34Å; D671-R673 VanDerWaalsContact C-N 3.3Å; D671-R673 PolarHBondContact O-N 2.75Å; R673-L677 HydrophobicContact CG-CD1 4.29Å; R673-L677 VanDerWaalsContact O-CB 3.31Å; R673-L677 WeakPolarHBondContact O-CB 3.36Å; R673-L677 WeakPolarHBondContact O-CD1 3.33Å; R673-L677 WeakPolarHBondContact O-CG 3.33Å; R673-L677 PolarHBondContact O-N 3Å |
| 674 | L | 73.8 | Confident | 78.4 | Confident | 86 Ų | 86 | 97.9 Ų | 97.9 | 45% | 0.45 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -68.8 | -42 | 170 | -76.8 | 168.4 | 0 | 0 | 0 | 110.9 | Q670 D671 Q676 L677 D678 | Q670-L674 HydrophobicContact CG-CD1 4.36Å; Q670-L674 WeakPolarHBondContact O-CB 3.37Å; Q670-L674 VanDerWaalsContact O-CG 3.26Å; Q670-L674 WeakPolarHBondContact O-CG 3.16Å; Q670-L674 PolarHBondContact O-N 2.74Å; D671-L674 PolarHBondContact O-N 2.63Å; L674-Q676 PolarHBondContact O-N 2.74Å; L674-L677 CarbonylContact O-C 3.59Å; L674-L677 PolarHBondContact O-N 3.32Å; L674-D678 VanDerWaalsContact O-CB 3.31Å; L674-D678 WeakPolarHBondContact O-CB 3.38Å; L674-D678 PolarHBondContact O-N 2.66Å |
| 675 | C | 78.2 | Confident | 78.6 | Confident | 80 Ų | 80 | 97.5 Ų | 97.5 | 54% | 0.541 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -62.1 | -42.1 | 173.4 | -70.1 | 0 | 0 | 0 | 0 | 111.4 | D671 E672 D678 L679 | D671-C675 VanDerWaalsContact O-CB 3.3Å; D671-C675 WeakPolarHBondContact O-CB 3.14Å; D671-C675 PolarHBondContact O-N 3.45Å; D671-C675 PolarHBondContact O-SG 2.79Å; E672-C675 PolarHBondContact O-N 3.33Å; C675-D678 CarbonylContact O-C 3.49Å; C675-D678 PolarHBondContact O-N 3.1Å; C675-L679 WeakPolarHBondContact O-CB 3.24Å; C675-L679 PolarHBondContact O-N 2.68Å |
| 676 | Q | 77.4 | Confident | 78.7 | Confident | 98 Ų | 98 | 95.9 Ų | 95.9 | 46% | 0.458 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -65 | -44 | 175.6 | -179.9 | 62.6 | 28.6 | 0 | 0 | 111.3 | E672 L674 D678 L679 E680 | E672-Q676 VanDerWaalsContact O-CB 3.27Å; E672-Q676 WeakPolarHBondContact O-CB 3.28Å; E672-Q676 PolarHBondContact O-N 2.9Å; L674-Q676 PolarHBondContact O-N 2.74Å; Q676-D678 VanDerWaalsContact C-N 3.33Å; Q676-L679 PolarHBondContact O-N 3.31Å; Q676-E680 PolarHBondContact NE2-OE1 2.83Å; Q676-E680 WeakPolarHBondContact O-CB 3.46Å; Q676-E680 WeakPolarHBondContact O-CG 3.18Å; Q676-E680 PolarHBondContact O-N 2.67Å |
| 677 | L | 75.7 | Confident | 79 | Confident | 89 Ų | 89 | 97 Ų | 97 | 47% | 0.466 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -30.1 | 174.3 | -73.8 | 168.9 | 0 | 0 | 0 | 112.8 | R673 L674 R681 | R673-L677 HydrophobicContact CG-CD1 4.29Å; R673-L677 VanDerWaalsContact O-CB 3.31Å; R673-L677 WeakPolarHBondContact O-CB 3.36Å; R673-L677 WeakPolarHBondContact O-CD1 3.33Å; R673-L677 WeakPolarHBondContact O-CG 3.33Å; R673-L677 PolarHBondContact O-N 3Å; L674-L677 CarbonylContact O-C 3.59Å; L674-L677 PolarHBondContact O-N 3.32Å; L677-R681 VanDerWaalsContact O-CB 3.28Å; L677-R681 WeakPolarHBondContact O-CB 3.41Å; L677-R681 PolarHBondContact O-N 2.79Å |
| 678 | D | 78.4 | Confident | 79 | Confident | 71 Ų | 71 | 94 Ų | 94 | 38% | 0.38 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.4 | -39.4 | 169.4 | -91.7 | -18.9 | 0 | 0 | 0 | 110.9 | L674 C675 Q676 R681 M682 | L674-D678 VanDerWaalsContact O-CB 3.31Å; L674-D678 WeakPolarHBondContact O-CB 3.38Å; L674-D678 PolarHBondContact O-N 2.66Å; C675-D678 CarbonylContact O-C 3.49Å; C675-D678 PolarHBondContact O-N 3.1Å; Q676-D678 VanDerWaalsContact C-N 3.33Å; D678-R681 PolarHBondContact O-N 2.76Å; D678-R681 IonicContact OD1-CZ 3.64Å; D678-R681 IonicContact OD1-NH1 2.75Å; D678-R681 PolarHBondContact OD1-NH1 2.73Å; D678-R681 IonicContact OD1-NH2 3.26Å; D678-R681 PolarHBondContact OD1-NH2 3.16Å; D678-M682 WeakPolarHBondContact O-CB 3.21Å; D678-M682 WeakPolarHBondContact O-CG 3.49Å; D678-M682 PolarHBondContact O-N 2.95Å |
| 679 | L | 82.9 | Confident | 79 | Confident | 119 Ų | 119 | 97.5 Ų | 97.5 | 62% | 0.623 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -68 | -39.4 | 176.8 | -134.3 | 160 | 0 | 0 | 0 | 111 | C675 Q676 S683 | C675-L679 WeakPolarHBondContact O-CB 3.24Å; C675-L679 PolarHBondContact O-N 2.68Å; Q676-L679 PolarHBondContact O-N 3.31Å; L679-S683 WeakPolarHBondContact O-CB 3.31Å; L679-S683 PolarHBondContact O-N 3.06Å |
| 680 | E | 83.1 | Confident | 79 | Confident | 76 Ų | 76 | 98.1 Ų | 98.1 | 36% | 0.355 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -66.9 | -46.8 | 170.5 | -74.1 | 170.7 | -158 | 0 | 0 | 111.5 | Q676 M682 S683 F684 | Q676-E680 PolarHBondContact NE2-OE1 2.83Å; Q676-E680 WeakPolarHBondContact O-CB 3.46Å; Q676-E680 WeakPolarHBondContact O-CG 3.18Å; Q676-E680 PolarHBondContact O-N 2.67Å; E680-M682 VanDerWaalsContact C-N 3.31Å; E680-M682 PolarHBondContact O-N 2.91Å; E680-S683 PolarHBondContact O-N 2.93Å; E680-S683 PolarHBondContact O-OG 2.72Å; E680-F684 HydrophobicContact CB-CE2 4.41Å; E680-F684 WeakPolarHBondContact O-CD2 3.41Å; E680-F684 PolarHBondContact O-N 3.24Å |
| 681 | R | 81.4 | Confident | 79.2 | Confident | 130 Ų | 130 | 96.8 Ų | 96.8 | 49% | 0.491 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -59.8 | -43.7 | 174 | -171 | -174.5 | 68.2 | -108.7 | -12.7 | 110.7 | L677 D678 S683 F684 E685 | L677-R681 VanDerWaalsContact O-CB 3.28Å; L677-R681 WeakPolarHBondContact O-CB 3.41Å; L677-R681 PolarHBondContact O-N 2.79Å; D678-R681 PolarHBondContact O-N 2.76Å; D678-R681 IonicContact OD1-CZ 3.64Å; D678-R681 IonicContact OD1-NH1 2.75Å; D678-R681 PolarHBondContact OD1-NH1 2.73Å; D678-R681 IonicContact OD1-NH2 3.26Å; D678-R681 PolarHBondContact OD1-NH2 3.16Å; R681-S683 VanDerWaalsContact C-N 3.34Å; R681-S683 PolarHBondContact O-N 3.05Å; R681-F684 PolarHBondContact O-N 3.08Å; R681-E685 WeakPolarHBondContact O-CB 3.21Å; R681-E685 PolarHBondContact O-N 2.83Å |
| 682 | M | 80.3 | Confident | 79.1 | Confident | 103 Ų | 103 | 100.3 Ų | 100.3 | 51% | 0.507 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -66.8 | -33.7 | 177.8 | -72.7 | -63 | -65.6 | 0 | 0 | 111.8 | D678 E680 T686 | D678-M682 WeakPolarHBondContact O-CB 3.21Å; D678-M682 WeakPolarHBondContact O-CG 3.49Å; D678-M682 PolarHBondContact O-N 2.95Å; E680-M682 VanDerWaalsContact C-N 3.31Å; E680-M682 PolarHBondContact O-N 2.91Å; M682-T686 WeakPolarHBondContact O-CB 3.18Å; M682-T686 WeakPolarHBondContact O-CG2 3.06Å; M682-T686 PolarHBondContact O-N 3.21Å; M682-T686 PolarHBondContact O-OG1 2.77Å |
| 683 | S | 83.5 | Confident | 79.2 | Confident | 48 Ų | 48 | 98.2 Ų | 98.2 | 34% | 0.336 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -66.9 | -52.3 | 172.9 | 77.9 | 0 | 0 | 0 | 0 | 110.5 | L679 E680 R681 E685 T686 D687 | L679-S683 WeakPolarHBondContact O-CB 3.31Å; L679-S683 PolarHBondContact O-N 3.06Å; E680-S683 PolarHBondContact O-N 2.93Å; E680-S683 PolarHBondContact O-OG 2.72Å; R681-S683 VanDerWaalsContact C-N 3.34Å; R681-S683 PolarHBondContact O-N 3.05Å; S683-E685 VanDerWaalsContact C-N 3.26Å; S683-E685 PolarHBondContact O-N 2.77Å; S683-T686 CarbonylContact O-C 3.51Å; S683-T686 PolarHBondContact O-N 2.79Å; S683-T686 VanDerWaalsContact O-N 3.09Å; S683-T686 PolarHBondContact O-OG1 3.21Å; S683-D687 PolarHBondContact O-N 3.46Å |
| 684 | F | 78.9 | Confident | 79.1 | Confident | 144 Ų | 144 | 93.2 Ų | 93.2 | 63% | 0.632 | 46% | 0.464 | S | S | * | . | H | α-helix | trans | -57.2 | -35.6 | 173.4 | -72.7 | -57.8 | 0 | 0 | 0 | 112.9 | E680 R681 D687 A688 | E680-F684 HydrophobicContact CB-CE2 4.41Å; E680-F684 WeakPolarHBondContact O-CD2 3.41Å; E680-F684 PolarHBondContact O-N 3.24Å; R681-F684 PolarHBondContact O-N 3.08Å; F684-D687 PolarHBondContact O-N 2.79Å; F684-A688 WeakPolarHBondContact O-CB 3.03Å; F684-A688 PolarHBondContact O-N 3.43Å |
| 685 | E | 77.9 | Confident | 79.4 | Confident | 110 Ų | 110 | 93.3 Ų | 93.3 | 51% | 0.514 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -78.3 | -31.4 | 177.8 | -171 | 144.4 | -140.1 | 0 | 0 | 111.7 | R681 S683 R689 | R681-E685 WeakPolarHBondContact O-CB 3.21Å; R681-E685 PolarHBondContact O-N 2.83Å; S683-E685 VanDerWaalsContact C-N 3.26Å; S683-E685 PolarHBondContact O-N 2.77Å; E685-R689 WeakPolarHBondContact O-CB 3.27Å; E685-R689 PolarHBondContact O-N 3.26Å |
| 686 | T | 78.9 | Confident | 79.4 | Confident | 46 Ų | 46 | 93.5 Ų | 93.5 | 28% | 0.282 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -69.5 | -32 | 166.7 | 69.4 | 0 | 0 | 0 | 0 | 112.7 | M682 S683 R689 K690 | M682-T686 WeakPolarHBondContact O-CB 3.18Å; M682-T686 WeakPolarHBondContact O-CG2 3.06Å; M682-T686 PolarHBondContact O-N 3.21Å; M682-T686 PolarHBondContact O-OG1 2.77Å; S683-T686 CarbonylContact O-C 3.51Å; S683-T686 PolarHBondContact O-N 2.79Å; S683-T686 VanDerWaalsContact O-N 3.09Å; S683-T686 PolarHBondContact O-OG1 3.21Å; T686-R689 PolarHBondContact O-N 2.78Å; T686-K690 WeakPolarHBondContact O-CB 3.22Å; T686-K690 WeakPolarHBondContact O-CG 3.3Å; T686-K690 PolarHBondContact O-N 2.73Å |
| 687 | D | 80 | Confident | 79.5 | Confident | 76 Ų | 76 | 92.3 Ų | 92.3 | 41% | 0.406 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -79.5 | -34.9 | 175.6 | -75.6 | -21.1 | 0 | 0 | 0 | 111.9 | S683 F684 R689 K690 T691 | S683-D687 PolarHBondContact O-N 3.46Å; F684-D687 PolarHBondContact O-N 2.79Å; D687-R689 PolarHBondContact O-N 2.81Å; D687-K690 PolarHBondContact O-N 3.44Å; D687-K690 WeakPolarHBondContact OD1-CD 3.24Å; D687-K690 WeakPolarHBondContact OD1-CE 3.16Å; D687-K690 IonicContact OD1-NZ 3.18Å; D687-K690 PolarHBondContact OD1-NZ 3.04Å; D687-T691 WeakPolarHBondContact O-CB 3.35Å; D687-T691 WeakPolarHBondContact O-CG2 3.44Å; D687-T691 PolarHBondContact O-N 2.84Å; D687-T691 PolarHBondContact O-OG1 2.8Å |
| 688 | A | 78.4 | Confident | 79.6 | Confident | 31 Ų | 31 | 94.6 Ų | 94.6 | 26% | 0.256 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -67.8 | -24.4 | 167.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | F684 T691 R692 | F684-A688 WeakPolarHBondContact O-CB 3.03Å; F684-A688 PolarHBondContact O-N 3.43Å; A688-T691 WeakPolarHBondContact CA-OG1 3.45Å; A688-T691 PolarHBondContact O-OG1 2.82Å; A688-R692 VanDerWaalsContact O-CB 3.31Å; A688-R692 WeakPolarHBondContact O-CB 3.2Å; A688-R692 VanDerWaalsContact O-CG 3.27Å; A688-R692 WeakPolarHBondContact O-CG 3.38Å; A688-R692 PolarHBondContact O-N 3.34Å; A688-R692 PolarHBondContact O-NH1 2.86Å |
| 689 | R | 78.4 | Confident | 79.7 | Confident | 136 Ų | 136 | 97 Ų | 97 | 51% | 0.513 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -78.5 | -48.5 | 168.9 | -175.9 | 170.5 | 70.9 | 90.1 | -4 | 111.3 | E685 T686 D687 T691 R692 E693 | E685-R689 WeakPolarHBondContact O-CB 3.27Å; E685-R689 PolarHBondContact O-N 3.26Å; T686-R689 PolarHBondContact O-N 2.78Å; D687-R689 PolarHBondContact O-N 2.81Å; R689-T691 VanDerWaalsContact C-N 3.32Å; R689-T691 PolarHBondContact O-N 2.75Å; R689-R692 CarbonylContact O-C 3.58Å; R689-R692 PolarHBondContact O-N 2.75Å; R689-R692 VanDerWaalsContact O-N 3.15Å; R689-E693 WeakPolarHBondContact CD-OE1 3.23Å; R689-E693 HydrophobicContact CG-CG 4.25Å; R689-E693 WeakPolarHBondContact CG-OE1 3.32Å; R689-E693 IonicContact CZ-OE1 2.66Å; R689-E693 IonicContact NE-OE1 3.44Å; R689-E693 VanDerWaalsContact NH1-CD 3.35Å; R689-E693 IonicContact NH1-OE1 3.81Å; R689-E693 PolarHBondContact NH1-OE1 3.48Å; R689-E693 IonicContact NH1-OE2 3.31Å; R689-E693 PolarHBondContact NH1-OE2 2.7Å; R689-E693 WeakPolarHBondContact O-CB 3.49Å; R689-E693 WeakPolarHBondContact O-CG 3.41Å; R689-E693 PolarHBondContact O-N 2.74Å |
| 690 | K | 81.2 | Confident | 79.5 | Confident | 104 Ų | 104 | 95.8 Ų | 95.8 | 45% | 0.452 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -56.3 | -44.9 | 174.8 | -74 | 166.3 | -142.6 | 159.9 | 0 | 111.1 | T686 D687 E693 S694 | T686-K690 WeakPolarHBondContact O-CB 3.22Å; T686-K690 WeakPolarHBondContact O-CG 3.3Å; T686-K690 PolarHBondContact O-N 2.73Å; D687-K690 PolarHBondContact O-N 3.44Å; D687-K690 WeakPolarHBondContact OD1-CD 3.24Å; D687-K690 WeakPolarHBondContact OD1-CE 3.16Å; D687-K690 IonicContact OD1-NZ 3.18Å; D687-K690 PolarHBondContact OD1-NZ 3.04Å; K690-E693 CarbonylContact O-C 3.44Å; K690-E693 PolarHBondContact O-N 2.75Å; K690-S694 WeakPolarHBondContact O-CB 3.44Å; K690-S694 PolarHBondContact O-N 2.84Å; K690-S694 PolarHBondContact O-OG 2.94Å |
| 691 | T | 74.9 | Confident | 79.3 | Confident | 91 Ų | 91 | 95.2 Ų | 95.2 | 56% | 0.558 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -70.6 | -34.2 | 177.2 | 51.1 | 0 | 0 | 0 | 0 | 112.8 | D687 A688 R689 L695 | D687-T691 WeakPolarHBondContact O-CB 3.35Å; D687-T691 WeakPolarHBondContact O-CG2 3.44Å; D687-T691 PolarHBondContact O-N 2.84Å; D687-T691 PolarHBondContact O-OG1 2.8Å; A688-T691 WeakPolarHBondContact CA-OG1 3.45Å; A688-T691 PolarHBondContact O-OG1 2.82Å; R689-T691 VanDerWaalsContact C-N 3.32Å; R689-T691 PolarHBondContact O-N 2.75Å; T691-L695 WeakPolarHBondContact O-CB 3.49Å; T691-L695 PolarHBondContact O-N 2.66Å |
| 692 | R | 78.4 | Confident | 79 | Confident | 159 Ų | 159 | 91.3 Ų | 91.3 | 60% | 0.6 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -66.6 | -35 | 167.3 | -83.4 | -173.8 | -174.6 | 90.1 | -8.7 | 112.8 | A688 R689 L695 N696 | A688-R692 VanDerWaalsContact O-CB 3.31Å; A688-R692 WeakPolarHBondContact O-CB 3.2Å; A688-R692 VanDerWaalsContact O-CG 3.27Å; A688-R692 WeakPolarHBondContact O-CG 3.38Å; A688-R692 PolarHBondContact O-N 3.34Å; A688-R692 PolarHBondContact O-NH1 2.86Å; R689-R692 CarbonylContact O-C 3.58Å; R689-R692 PolarHBondContact O-N 2.75Å; R689-R692 VanDerWaalsContact O-N 3.15Å; R692-L695 PolarHBondContact O-N 2.75Å; R692-N696 WeakPolarHBondContact O-CB 3.26Å; R692-N696 PolarHBondContact O-N 3.04Å |
| 693 | E | 81.5 | Confident | 79 | Confident | 86 Ų | 86 | 92 Ų | 92 | 40% | 0.402 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -73.7 | -37.4 | 176.9 | -76 | 168.7 | -177 | 0 | 0 | 110.9 | R689 K690 T697 | R689-E693 WeakPolarHBondContact CD-OE1 3.23Å; R689-E693 HydrophobicContact CG-CG 4.25Å; R689-E693 WeakPolarHBondContact CG-OE1 3.32Å; R689-E693 IonicContact CZ-OE1 2.66Å; R689-E693 IonicContact NE-OE1 3.44Å; R689-E693 VanDerWaalsContact NH1-CD 3.35Å; R689-E693 IonicContact NH1-OE1 3.81Å; R689-E693 PolarHBondContact NH1-OE1 3.48Å; R689-E693 IonicContact NH1-OE2 3.31Å; R689-E693 PolarHBondContact NH1-OE2 2.7Å; R689-E693 WeakPolarHBondContact O-CB 3.49Å; R689-E693 WeakPolarHBondContact O-CG 3.41Å; R689-E693 PolarHBondContact O-N 2.74Å; K690-E693 CarbonylContact O-C 3.44Å; K690-E693 PolarHBondContact O-N 2.75Å; E693-T697 VanDerWaalsContact O-CB 3.3Å; E693-T697 WeakPolarHBondContact O-CB 3.45Å; E693-T697 VanDerWaalsContact O-CG2 3.31Å; E693-T697 WeakPolarHBondContact O-CG2 3.45Å; E693-T697 PolarHBondContact O-N 3.23Å; E693-T697 PolarHBondContact O-OG1 2.78Å |
| 694 | S | 79 | Confident | 78.7 | Confident | 75 Ų | 75 | 95.2 Ų | 95.2 | 52% | 0.524 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.4 | -41 | 168 | -60.8 | 0 | 0 | 0 | 0 | 111.8 | K690 T697 F698 | K690-S694 WeakPolarHBondContact O-CB 3.44Å; K690-S694 PolarHBondContact O-N 2.84Å; K690-S694 PolarHBondContact O-OG 2.94Å; S694-T697 WeakPolarHBondContact CA-OG1 3.3Å; S694-T697 PolarHBondContact O-OG1 2.72Å; S694-F698 WeakPolarHBondContact O-CB 3.25Å; S694-F698 PolarHBondContact O-N 3.37Å |
| 695 | L | 78.5 | Confident | 78.6 | Confident | 88 Ų | 88 | 94 Ų | 94 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -70.2 | -37.5 | 176.7 | -177.7 | 62.4 | 0 | 0 | 0 | 111.9 | T691 R692 K699 | T691-L695 WeakPolarHBondContact O-CB 3.49Å; T691-L695 PolarHBondContact O-N 2.66Å; R692-L695 PolarHBondContact O-N 2.75Å; L695-K699 HydrophobicContact CG-CD 4.46Å; L695-K699 VanDerWaalsContact O-CB 3.28Å; L695-K699 WeakPolarHBondContact O-CB 3.35Å; L695-K699 VanDerWaalsContact O-CG 3.23Å; L695-K699 WeakPolarHBondContact O-CG 3.32Å; L695-K699 PolarHBondContact O-N 2.82Å |
| 696 | N | 78.3 | Confident | 78.6 | Confident | 84 Ų | 84 | 93.7 Ų | 93.7 | 45% | 0.449 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -73.8 | -41.2 | 176.3 | -76.8 | -2.2 | 0 | 0 | 0 | 111.1 | R692 F698 K699 E700 | R692-N696 WeakPolarHBondContact O-CB 3.26Å; R692-N696 PolarHBondContact O-N 3.04Å; N696-F698 VanDerWaalsContact C-N 3.34Å; N696-K699 CarbonylContact O-C 3.45Å; N696-K699 PolarHBondContact O-N 2.81Å; N696-E700 WeakPolarHBondContact O-CB 3.35Å; N696-E700 WeakPolarHBondContact O-CG 3.28Å; N696-E700 PolarHBondContact O-N 3.37Å |
| 697 | T | 79.2 | Confident | 78.6 | Confident | 73 Ų | 73 | 95 Ų | 95 | 45% | 0.448 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -67 | -35.2 | 172.7 | 50.3 | 0 | 0 | 0 | 0 | 111.9 | E693 S694 E700 T701 | E693-T697 VanDerWaalsContact O-CB 3.3Å; E693-T697 WeakPolarHBondContact O-CB 3.45Å; E693-T697 VanDerWaalsContact O-CG2 3.31Å; E693-T697 WeakPolarHBondContact O-CG2 3.45Å; E693-T697 PolarHBondContact O-N 3.23Å; E693-T697 PolarHBondContact O-OG1 2.78Å; S694-T697 WeakPolarHBondContact CA-OG1 3.3Å; S694-T697 PolarHBondContact O-OG1 2.72Å; T697-E700 PolarHBondContact O-N 3.14Å; T697-T701 WeakPolarHBondContact O-CB 3.39Å; T697-T701 WeakPolarHBondContact O-CG2 3.29Å; T697-T701 PolarHBondContact O-N 3.15Å; T697-T701 PolarHBondContact O-OG1 3.15Å; T697-T701 VanDerWaalsContact O-OG1 3.05Å |
| 698 | F | 79.1 | Confident | 78.5 | Confident | 137 Ų | 137 | 96.1 Ų | 96.1 | 60% | 0.601 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 170.4 | -177.1 | -93.6 | 0 | 0 | 0 | 112.1 | S694 N696 T701 S702 | S694-F698 WeakPolarHBondContact O-CB 3.25Å; S694-F698 PolarHBondContact O-N 3.37Å; N696-F698 VanDerWaalsContact C-N 3.34Å; F698-T701 WeakPolarHBondContact CA-OG1 3.35Å; F698-T701 PolarHBondContact O-N 2.88Å; F698-T701 PolarHBondContact O-OG1 2.72Å; F698-S702 VanDerWaalsContact O-CB 3.23Å; F698-S702 WeakPolarHBondContact O-CB 3.47Å; F698-S702 PolarHBondContact O-N 3.49Å |
| 699 | K | 79.6 | Confident | 78 | Confident | 121 Ų | 121 | 98.8 Ų | 98.8 | 53% | 0.526 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -62.4 | -46.2 | 173.1 | -81.3 | 176.8 | 176.5 | -173 | 0 | 111.1 | L695 N696 S702 E703 | L695-K699 HydrophobicContact CG-CD 4.46Å; L695-K699 VanDerWaalsContact O-CB 3.28Å; L695-K699 WeakPolarHBondContact O-CB 3.35Å; L695-K699 VanDerWaalsContact O-CG 3.23Å; L695-K699 WeakPolarHBondContact O-CG 3.32Å; L695-K699 PolarHBondContact O-N 2.82Å; N696-K699 CarbonylContact O-C 3.45Å; N696-K699 PolarHBondContact O-N 2.81Å; K699-S702 CarbonylContact O-C 3.55Å; K699-S702 PolarHBondContact O-N 3.42Å; K699-E703 WeakPolarHBondContact O-CA 3.06Å; K699-E703 WeakPolarHBondContact O-CB 3.33Å; K699-E703 PolarHBondContact O-N 2.7Å |
| 700 | E | 78.4 | Confident | 77.8 | Confident | 94 Ų | 94 | 95 Ų | 95 | 44% | 0.439 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -65.7 | -36.5 | 176.1 | -74.6 | -179 | -149.8 | 0 | 0 | 112.4 | N696 T697 R704 | N696-E700 WeakPolarHBondContact O-CB 3.35Å; N696-E700 WeakPolarHBondContact O-CG 3.28Å; N696-E700 PolarHBondContact O-N 3.37Å; T697-E700 PolarHBondContact O-N 3.14Å; E700-R704 VanDerWaalsContact CB-NH2 3.26Å; E700-R704 WeakPolarHBondContact O-CA 3.23Å; E700-R704 WeakPolarHBondContact O-CB 3.29Å; E700-R704 WeakPolarHBondContact O-CG 3.39Å; E700-R704 PolarHBondContact O-N 3.27Å; E700-R704 PolarHBondContact O-NE 2.74Å; E700-R704 IonicContact OE2-CZ 3.09Å; E700-R704 IonicContact OE2-NE 2.78Å; E700-R704 IonicContact OE2-NH2 2.83Å; E700-R704 PolarHBondContact OE2-NH2 3.29Å |
| 701 | T | 80.4 | Confident | 77.6 | Confident | 63 Ų | 63 | 98.2 Ų | 98.2 | 39% | 0.387 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.6 | -38.1 | 174.1 | 52 | 0 | 0 | 0 | 0 | 110.8 | T697 F698 H705 | T697-T701 WeakPolarHBondContact O-CB 3.39Å; T697-T701 WeakPolarHBondContact O-CG2 3.29Å; T697-T701 PolarHBondContact O-N 3.15Å; T697-T701 PolarHBondContact O-OG1 3.15Å; T697-T701 VanDerWaalsContact O-OG1 3.05Å; F698-T701 WeakPolarHBondContact CA-OG1 3.35Å; F698-T701 PolarHBondContact O-N 2.88Å; F698-T701 PolarHBondContact O-OG1 2.72Å; T701-H705 VanDerWaalsContact O-CB 3.28Å; T701-H705 WeakPolarHBondContact O-CB 3.18Å; T701-H705 PolarHBondContact O-N 2.71Å |
| 702 | S | 74.1 | Confident | 77.5 | Confident | 48 Ų | 48 | 98.9 Ų | 98.9 | 34% | 0.336 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -68.5 | -34.7 | 173.3 | -172.2 | 0 | 0 | 0 | 0 | 112.3 | F698 K699 I706 | F698-S702 VanDerWaalsContact O-CB 3.23Å; F698-S702 WeakPolarHBondContact O-CB 3.47Å; F698-S702 PolarHBondContact O-N 3.49Å; K699-S702 CarbonylContact O-C 3.55Å; K699-S702 PolarHBondContact O-N 3.42Å; S702-I706 VanDerWaalsContact O-CB 3.28Å; S702-I706 WeakPolarHBondContact O-CB 3.37Å; S702-I706 WeakPolarHBondContact O-CD1 3.49Å; S702-I706 WeakPolarHBondContact O-CG1 3.13Å; S702-I706 PolarHBondContact O-N 2.86Å |
| 703 | E | 79.9 | Confident | 77.1 | Confident | 119 Ų | 119 | 95.9 Ų | 95.9 | 56% | 0.556 | 48% | 0.476 | S | S | * | . | H | α-helix | trans | -81.7 | -33.6 | 179.9 | -176.5 | 171.3 | -137 | 0 | 0 | 110.5 | K699 I706 N707 | K699-E703 WeakPolarHBondContact O-CA 3.06Å; K699-E703 WeakPolarHBondContact O-CB 3.33Å; K699-E703 PolarHBondContact O-N 2.7Å; E703-I706 PolarHBondContact O-N 3.35Å; E703-N707 VanDerWaalsContact O-CB 3.25Å; E703-N707 WeakPolarHBondContact O-CB 3.46Å; E703-N707 PolarHBondContact O-N 2.73Å; E703-N707 PolarHBondContact O-ND2 2.72Å |
| 704 | R | 78.9 | Confident | 76.8 | Confident | 114 Ų | 114 | 96.7 Ų | 96.7 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.6 | -47.3 | 164.6 | -76.4 | 179.7 | -100.3 | 112.9 | -8.5 | 110.1 | E700 I706 N707 E708 | E700-R704 VanDerWaalsContact CB-NH2 3.26Å; E700-R704 WeakPolarHBondContact O-CA 3.23Å; E700-R704 WeakPolarHBondContact O-CB 3.29Å; E700-R704 WeakPolarHBondContact O-CG 3.39Å; E700-R704 PolarHBondContact O-N 3.27Å; E700-R704 PolarHBondContact O-NE 2.74Å; E700-R704 IonicContact OE2-CZ 3.09Å; E700-R704 IonicContact OE2-NE 2.78Å; E700-R704 IonicContact OE2-NH2 2.83Å; E700-R704 PolarHBondContact OE2-NH2 3.29Å; R704-I706 PolarHBondContact O-N 2.72Å; R704-N707 CarbonylContact O-C 3.55Å; R704-N707 PolarHBondContact O-N 3.44Å; R704-E708 WeakPolarHBondContact O-CB 3.18Å; R704-E708 WeakPolarHBondContact O-CG 3.42Å; R704-E708 PolarHBondContact O-N 3.11Å |
| 705 | H | 76.4 | Confident | 76.4 | Confident | 119 Ų | 119 | 100.9 Ų | 100.9 | 55% | 0.551 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -62.2 | -38.5 | 172.4 | -90.3 | 14.6 | 0 | 0 | 0 | 113.4 | T701 E708 L709 | T701-H705 VanDerWaalsContact O-CB 3.28Å; T701-H705 WeakPolarHBondContact O-CB 3.18Å; T701-H705 PolarHBondContact O-N 2.71Å; H705-E708 IonicContact CE1-OE2 3.1Å; H705-E708 IonicContact ND1-OE2 2.67Å; H705-E708 PolarHBondContact ND1-OE2 3.37Å; H705-E708 PolarHBondContact O-N 2.71Å; H705-L709 WeakPolarHBondContact O-CA 3.28Å; H705-L709 WeakPolarHBondContact O-CB 3.26Å; H705-L709 WeakPolarHBondContact O-CD1 3.28Å; H705-L709 WeakPolarHBondContact O-CG 3.4Å; H705-L709 PolarHBondContact O-N 3.39Å |
| 706 | I | 78 | Confident | 75.3 | Confident | 103 Ų | 103 | 100.1 Ų | 100.1 | 53% | 0.528 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.3 | -37.5 | 175.7 | -74.1 | 160.9 | 0 | 0 | 0 | 110.5 | S702 E703 R704 S710 | S702-I706 VanDerWaalsContact O-CB 3.28Å; S702-I706 WeakPolarHBondContact O-CB 3.37Å; S702-I706 WeakPolarHBondContact O-CD1 3.49Å; S702-I706 WeakPolarHBondContact O-CG1 3.13Å; S702-I706 PolarHBondContact O-N 2.86Å; E703-I706 PolarHBondContact O-N 3.35Å; R704-I706 PolarHBondContact O-N 2.72Å; I706-S710 WeakPolarHBondContact O-CA 2.86Å; I706-S710 WeakPolarHBondContact O-CB 2.89Å; I706-S710 PolarHBondContact O-N 2.92Å |
| 707 | N | 78.8 | Confident | 74.9 | Confident | 73 Ų | 73 | 99.3 Ų | 99.3 | 39% | 0.39 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73 | -32.2 | 174 | -81 | -75.5 | 0 | 0 | 0 | 112.6 | E703 R704 R711 | E703-N707 VanDerWaalsContact O-CB 3.25Å; E703-N707 WeakPolarHBondContact O-CB 3.46Å; E703-N707 PolarHBondContact O-N 2.73Å; E703-N707 PolarHBondContact O-ND2 2.72Å; R704-N707 CarbonylContact O-C 3.55Å; R704-N707 PolarHBondContact O-N 3.44Å; N707-R711 VanDerWaalsContact O-CB 3.23Å; N707-R711 WeakPolarHBondContact O-CB 3.3Å; N707-R711 WeakPolarHBondContact O-CD 3.33Å; N707-R711 WeakPolarHBondContact O-CG 3.34Å; N707-R711 PolarHBondContact O-N 2.86Å |
| 708 | E | 77.2 | Confident | 73.9 | Confident | 100 Ų | 100 | 102 Ų | 102 | 47% | 0.467 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.9 | -48.5 | 173.1 | -74.8 | 161.1 | 166 | 0 | 0 | 109.6 | R704 H705 S710 R711 E712 | R704-E708 WeakPolarHBondContact O-CB 3.18Å; R704-E708 WeakPolarHBondContact O-CG 3.42Å; R704-E708 PolarHBondContact O-N 3.11Å; H705-E708 IonicContact CE1-OE2 3.1Å; H705-E708 IonicContact ND1-OE2 2.67Å; H705-E708 PolarHBondContact ND1-OE2 3.37Å; H705-E708 PolarHBondContact O-N 2.71Å; E708-S710 VanDerWaalsContact C-N 3.33Å; E708-S710 PolarHBondContact O-N 2.86Å; E708-R711 PolarHBondContact O-N 3.32Å; E708-E712 WeakPolarHBondContact O-CA 3.15Å; E708-E712 WeakPolarHBondContact O-CB 3.44Å; E708-E712 PolarHBondContact O-N 3.43Å |
| 709 | L | 67.9 | Low | 72.9 | Confident | 88 Ų | 88 | 97.3 Ų | 97.3 | 46% | 0.461 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -67.4 | -26.9 | 173.3 | -71 | 168.5 | 0 | 0 | 0 | 113.1 | H705 N713 | H705-L709 WeakPolarHBondContact O-CA 3.28Å; H705-L709 WeakPolarHBondContact O-CB 3.26Å; H705-L709 WeakPolarHBondContact O-CD1 3.28Å; H705-L709 WeakPolarHBondContact O-CG 3.4Å; H705-L709 PolarHBondContact O-N 3.39Å; L709-N713 WeakPolarHBondContact O-CB 3.37Å; L709-N713 PolarHBondContact O-N 2.84Å; L709-N713 PolarHBondContact O-ND2 2.76Å |
| 710 | S | 73.5 | Confident | 71.7 | Confident | 55 Ų | 55 | 95 Ų | 95 | 39% | 0.385 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -78.5 | -44.5 | 173.7 | -169.6 | 0 | 0 | 0 | 0 | 110.5 | I706 E708 E712 N713 D714 | I706-S710 WeakPolarHBondContact O-CA 2.86Å; I706-S710 WeakPolarHBondContact O-CB 2.89Å; I706-S710 PolarHBondContact O-N 2.92Å; E708-S710 VanDerWaalsContact C-N 3.33Å; E708-S710 PolarHBondContact O-N 2.86Å; S710-E712 VanDerWaalsContact C-N 3.28Å; S710-E712 PolarHBondContact O-N 3.23Å; S710-N713 CarbonylContact O-C 3.55Å; S710-N713 PolarHBondContact O-N 2.83Å; S710-D714 WeakPolarHBondContact O-CB 3.35Å; S710-D714 VanDerWaalsContact O-CG 3.25Å; S710-D714 PolarHBondContact O-N 3.47Å |
| 711 | R | 76.9 | Confident | 70.8 | Confident | 172 Ų | 172 | 98.1 Ų | 98.1 | 65% | 0.649 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -63.4 | -36.3 | 171.3 | -73.2 | 168.2 | -175.7 | 168 | 3.4 | 111.6 | N707 E708 Y715 | N707-R711 VanDerWaalsContact O-CB 3.23Å; N707-R711 WeakPolarHBondContact O-CB 3.3Å; N707-R711 WeakPolarHBondContact O-CD 3.33Å; N707-R711 WeakPolarHBondContact O-CG 3.34Å; N707-R711 PolarHBondContact O-N 2.86Å; E708-R711 PolarHBondContact O-N 3.32Å; R711-Y715 WeakPolarHBondContact O-CB 3.26Å; R711-Y715 PolarHBondContact O-N 3.16Å |
| 712 | E | 74.2 | Confident | 69.5 | Low | 106 Ų | 106 | 98.8 Ų | 98.8 | 50% | 0.495 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -71.3 | -37 | 173 | -173.9 | 174 | -158.5 | 0 | 0 | 110.4 | E708 S710 L716 | E708-E712 WeakPolarHBondContact O-CA 3.15Å; E708-E712 WeakPolarHBondContact O-CB 3.44Å; E708-E712 PolarHBondContact O-N 3.43Å; S710-E712 VanDerWaalsContact C-N 3.28Å; S710-E712 PolarHBondContact O-N 3.23Å; E712-L716 HydrophobicContact CG-CD1 3.73Å; E712-L716 HydrophobicContact CG-CG 3.97Å; E712-L716 WeakPolarHBondContact O-CA 3.43Å; E712-L716 WeakPolarHBondContact O-CB 3.12Å; E712-L716 WeakPolarHBondContact O-CG 3.12Å; E712-L716 PolarHBondContact O-N 2.83Å |
| 713 | N | 68.6 | Low | 67.9 | Low | 95 Ų | 95 | 100.1 Ų | 100.1 | 51% | 0.508 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -69.6 | -33.7 | 171.2 | -91.3 | -77.7 | 0 | 0 | 0 | 112.9 | L709 S710 T717 | L709-N713 WeakPolarHBondContact O-CB 3.37Å; L709-N713 PolarHBondContact O-N 2.84Å; L709-N713 PolarHBondContact O-ND2 2.76Å; S710-N713 CarbonylContact O-C 3.55Å; S710-N713 PolarHBondContact O-N 2.83Å; N713-T717 WeakPolarHBondContact O-CA 3.41Å; N713-T717 WeakPolarHBondContact O-CB 3.48Å; N713-T717 PolarHBondContact O-N 3.48Å; N713-T717 PolarHBondContact O-OG1 3.49Å |
| 714 | D | 75.8 | Confident | 66.3 | Low | 104 Ų | 104 | 104.4 Ų | 104.4 | 56% | 0.556 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.6 | -49 | 174.6 | -72.9 | -39.8 | 0 | 0 | 0 | 109.9 | S710 T717 E718 | S710-D714 WeakPolarHBondContact O-CB 3.35Å; S710-D714 VanDerWaalsContact O-CG 3.25Å; S710-D714 PolarHBondContact O-N 3.47Å; D714-T717 CarbonylContact O-C 3.59Å; D714-T717 PolarHBondContact O-N 2.94Å; D714-T717 VanDerWaalsContact O-N 3.1Å; D714-E718 PolarHBondContact O-N 2.75Å |
| 715 | Y | 70.9 | Confident | 64.7 | Low | 163 Ų | 163 | 101.9 Ų | 101.9 | 64% | 0.639 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -67 | -36.3 | 176.8 | -164.1 | -89.8 | 0 | 0 | 0 | 111.8 | R711 T719 | R711-Y715 WeakPolarHBondContact O-CB 3.26Å; R711-Y715 PolarHBondContact O-N 3.16Å; Y715-T719 WeakPolarHBondContact O-CA 3.36Å; Y715-T719 WeakPolarHBondContact O-CB 3.49Å; Y715-T719 PolarHBondContact O-N 2.82Å; Y715-T719 PolarHBondContact O-OG1 3.43Å |
| 716 | L | 56 | Low | 63 | Low | 72 Ų | 72 | 104.6 Ų | 104.6 | 38% | 0.377 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -73.3 | -26.9 | 169.9 | -72.7 | 175.9 | 0 | 0 | 0 | 111.5 | E712 T719 I720 | E712-L716 HydrophobicContact CG-CD1 3.73Å; E712-L716 HydrophobicContact CG-CG 3.97Å; E712-L716 WeakPolarHBondContact O-CA 3.43Å; E712-L716 WeakPolarHBondContact O-CB 3.12Å; E712-L716 WeakPolarHBondContact O-CG 3.12Å; E712-L716 PolarHBondContact O-N 2.83Å; L716-T719 CarbonylContact O-C 3.59Å; L716-I720 HydrophobicContact CB-CD1 4.48Å; L716-I720 WeakPolarHBondContact O-CA 3.29Å; L716-I720 WeakPolarHBondContact O-CB 3.41Å; L716-I720 WeakPolarHBondContact O-CD1 3.5Å; L716-I720 WeakPolarHBondContact O-CG1 3.15Å; L716-I720 PolarHBondContact O-N 2.75Å |
| 717 | T | 69.3 | Low | 60.8 | Low | 67 Ų | 67 | 104.7 Ų | 104.7 | 41% | 0.411 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -76.2 | -35.9 | 174 | -68.5 | 0 | 0 | 0 | 0 | 110.9 | N713 D714 K721 | N713-T717 WeakPolarHBondContact O-CA 3.41Å; N713-T717 WeakPolarHBondContact O-CB 3.48Å; N713-T717 PolarHBondContact O-N 3.48Å; N713-T717 PolarHBondContact O-OG1 3.49Å; D714-T717 CarbonylContact O-C 3.59Å; D714-T717 PolarHBondContact O-N 2.94Å; D714-T717 VanDerWaalsContact O-N 3.1Å; T717-K721 WeakPolarHBondContact O-CB 3.4Å; T717-K721 VanDerWaalsContact O-CG 3.29Å; T717-K721 WeakPolarHBondContact O-CG 3.17Å; T717-K721 PolarHBondContact O-N 3.37Å |
| 718 | E | 58.6 | Low | 58.7 | Low | 129 Ų | 129 | 108.2 Ų | 108.2 | 60% | 0.603 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -70.9 | -40.3 | 169.3 | -172 | 166.7 | -134.1 | 0 | 0 | 111.5 | D714 K721 T722 | D714-E718 PolarHBondContact O-N 2.75Å; E718-K721 PolarHBondContact O-N 2.78Å; E718-T722 WeakPolarHBondContact O-CB 3.32Å; E718-T722 WeakPolarHBondContact O-CG2 3.34Å; E718-T722 PolarHBondContact O-N 3.22Å; E718-T722 PolarHBondContact O-OG1 3.29Å |
| 719 | T | 57.5 | Low | 56.7 | Low | 38 Ų | 38 | 109.1 Ų | 109.1 | 23% | 0.233 | 54% | 0.543 | C | S | . | . | H | α-helix | trans | -67.6 | -34.4 | 173.3 | -59.3 | 0 | 0 | 0 | 0 | 111.2 | Y715 L716 T722 L723 | Y715-T719 WeakPolarHBondContact O-CA 3.36Å; Y715-T719 WeakPolarHBondContact O-CB 3.49Å; Y715-T719 PolarHBondContact O-N 2.82Å; Y715-T719 PolarHBondContact O-OG1 3.43Å; L716-T719 CarbonylContact O-C 3.59Å; T719-T722 WeakPolarHBondContact CA-OG1 3.41Å; T719-T722 PolarHBondContact O-N 2.76Å; T719-T722 PolarHBondContact O-OG1 2.65Å; T719-L723 HydrophobicContact CG2-CD1 3.65Å; T719-L723 HydrophobicContact CG2-CG 3.96Å; T719-L723 WeakPolarHBondContact O-CA 3.17Å; T719-L723 WeakPolarHBondContact O-CB 3.42Å; T719-L723 WeakPolarHBondContact O-CG 3.29Å; T719-L723 PolarHBondContact O-N 2.78Å |
| 720 | I | 54.6 | Low | 55 | Low | 73 Ų | 73 | 111 Ų | 111 | 37% | 0.374 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -76.9 | -30.9 | 174.1 | -73.6 | 165.6 | 0 | 0 | 0 | 110.7 | L716 R724 | L716-I720 HydrophobicContact CB-CD1 4.48Å; L716-I720 WeakPolarHBondContact O-CA 3.29Å; L716-I720 WeakPolarHBondContact O-CB 3.41Å; L716-I720 WeakPolarHBondContact O-CD1 3.5Å; L716-I720 WeakPolarHBondContact O-CG1 3.15Å; L716-I720 PolarHBondContact O-N 2.75Å; I720-R724 HydrophobicContact CG2-CG 3.98Å; I720-R724 VanDerWaalsContact CG2-NE 3.34Å; I720-R724 WeakPolarHBondContact O-CA 3.46Å; I720-R724 WeakPolarHBondContact O-CB 3.48Å; I720-R724 WeakPolarHBondContact O-CG 3.38Å; I720-R724 PolarHBondContact O-N 2.78Å |
| 721 | K | 59.6 | Low | 53.3 | Low | 159 Ų | 159 | 115.7 Ų | 115.7 | 69% | 0.691 | 57% | 0.572 | S | S | * | * | H | α-helix | trans | -65 | -45.1 | 168.1 | -82.2 | 172.6 | 178.1 | 172.5 | 0 | 111.3 | T717 E718 G725 | T717-K721 WeakPolarHBondContact O-CB 3.4Å; T717-K721 VanDerWaalsContact O-CG 3.29Å; T717-K721 WeakPolarHBondContact O-CG 3.17Å; T717-K721 PolarHBondContact O-N 3.37Å; E718-K721 PolarHBondContact O-N 2.78Å; K721-G725 PolarHBondContact O-N 2.73Å |
| 722 | T | 52.8 | Low | 52.1 | Low | 78 Ų | 78 | 112.5 Ų | 112.5 | 48% | 0.479 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -75.8 | -33.6 | -179.6 | 52 | 0 | 0 | 0 | 0 | 113.2 | E718 T719 G725 K726 | E718-T722 WeakPolarHBondContact O-CB 3.32Å; E718-T722 WeakPolarHBondContact O-CG2 3.34Å; E718-T722 PolarHBondContact O-N 3.22Å; E718-T722 PolarHBondContact O-OG1 3.29Å; T719-T722 WeakPolarHBondContact CA-OG1 3.41Å; T719-T722 PolarHBondContact O-N 2.76Å; T719-T722 PolarHBondContact O-OG1 2.65Å; T722-G725 CarbonylContact O-C 3.5Å; T722-G725 WeakPolarHBondContact O-CA 3.16Å; T722-G725 PolarHBondContact O-N 3.27Å; T722-K726 WeakPolarHBondContact O-CB 3.35Å; T722-K726 PolarHBondContact O-N 2.7Å; T722-K726 VanDerWaalsContact O-N 3.15Å |
| 723 | L | 40.9 | Very low | 51.1 | Low | 76 Ų | 76 | 110.3 Ų | 110.3 | 40% | 0.398 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -80.3 | -33 | 173.3 | -67.9 | -178.6 | 0 | 0 | 0 | 113.1 | T719 G725 K726 N727 | T719-L723 HydrophobicContact CG2-CD1 3.65Å; T719-L723 HydrophobicContact CG2-CG 3.96Å; T719-L723 WeakPolarHBondContact O-CA 3.17Å; T719-L723 WeakPolarHBondContact O-CB 3.42Å; T719-L723 WeakPolarHBondContact O-CG 3.29Å; T719-L723 PolarHBondContact O-N 2.78Å; L723-G725 PolarHBondContact O-N 3.25Å; L723-K726 PolarHBondContact O-N 2.79Å; L723-N727 HydrophobicContact CB-CB 4.14Å; L723-N727 HydrophobicContact CD2-CB 4.25Å; L723-N727 WeakPolarHBondContact O-CA 3.33Å; L723-N727 VanDerWaalsContact O-CB 3.29Å; L723-N727 WeakPolarHBondContact O-CB 3.35Å; L723-N727 PolarHBondContact O-N 3.45Å |
| 724 | R | 46.7 | Very low | 50 | Low | 208 Ų | 208 | 111 Ų | 111 | 79% | 0.785 | 58% | 0.576 | S | S | * | * | H | α-helix | trans | -65.2 | -18.7 | 165.3 | -71.5 | 177.3 | -179.8 | 175.9 | 4.2 | 111.8 | I720 | I720-R724 HydrophobicContact CG2-CG 3.98Å; I720-R724 VanDerWaalsContact CG2-NE 3.34Å; I720-R724 WeakPolarHBondContact O-CA 3.46Å; I720-R724 WeakPolarHBondContact O-CB 3.48Å; I720-R724 WeakPolarHBondContact O-CG 3.38Å; I720-R724 PolarHBondContact O-N 2.78Å |
| 725 | G | 45.1 | Very low | 49.2 | Very low | 61 Ų | 61 | 112.2 Ų | 112.2 | 63% | 0.629 | 58% | 0.578 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.4 | -2.5 | 167.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | K721 T722 L723 | K721-G725 PolarHBondContact O-N 2.73Å; T722-G725 CarbonylContact O-C 3.5Å; T722-G725 WeakPolarHBondContact O-CA 3.16Å; T722-G725 PolarHBondContact O-N 3.27Å; L723-G725 PolarHBondContact O-N 3.25Å |
| 726 | K | 41 | Very low | 48.9 | Very low | 176 Ų | 176 | 113.4 Ų | 113.4 | 77% | 0.765 | 58% | 0.582 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -142.8 | -15.9 | -174 | -79.6 | -168.5 | 171.1 | -176.6 | 0 | 117.5 | T722 L723 | T722-K726 WeakPolarHBondContact O-CB 3.35Å; T722-K726 PolarHBondContact O-N 2.7Å; T722-K726 VanDerWaalsContact O-N 3.15Å; L723-K726 PolarHBondContact O-N 2.79Å |
| 727 | N | 29.9 | Very low | 48.9 | Very low | 105 Ų | 105 | 113.7 Ų | 113.7 | 56% | 0.561 | 58% | 0.583 | S | S | * | * | trans | -113.5 | 20.8 | -168.4 | -128.8 | 81.1 | 0 | 0 | 0 | 113.5 | L723 N729 | L723-N727 HydrophobicContact CB-CB 4.14Å; L723-N727 HydrophobicContact CD2-CB 4.25Å; L723-N727 WeakPolarHBondContact O-CA 3.33Å; L723-N727 VanDerWaalsContact O-CB 3.29Å; L723-N727 WeakPolarHBondContact O-CB 3.35Å; L723-N727 PolarHBondContact O-N 3.45Å; N727-N729 PolarHBondContact O-N 2.77Å; N727-N729 VanDerWaalsContact O-N 3.1Å | ||
| 728 | I | 34.8 | Very low | 48.9 | Very low | 148 Ų | 148 | 113 Ų | 113 | 76% | 0.759 | 58% | 0.584 | S | S | * | * | S | Bend | trans | -72.9 | 81.3 | 143.3 | -59 | 175.2 | 0 | 0 | 0 | 105.5 | ||
| 729 | N | 35.1 | Very low | 49.3 | Very low | 119 Ų | 119 | 114.5 Ų | 114.5 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | S | Bend | trans | 168.5 | 148.1 | 154.8 | -85.2 | -6.3 | 0 | 0 | 0 | 110.7 | N727 | N727-N729 PolarHBondContact O-N 2.77Å; N727-N729 VanDerWaalsContact O-N 3.1Å |
| 730 | D | 34 | Very low | 49.6 | Very low | 128 Ų | 128 | 116.4 Ų | 116.4 | 68% | 0.684 | 59% | 0.593 | S | S | * | * | trans | 67.1 | 77.1 | 154.7 | -51.8 | -21.7 | 0 | 0 | 0 | 120.6 | ||||
| 731 | I | 36.4 | Very low | 50.3 | Low | 153 Ų | 153 | 118.8 Ų | 118.8 | 79% | 0.785 | 60% | 0.602 | S | S | * | * | 41.6 | 95.5 | 120.1 | -51.6 | 168 | 0 | 0 | 0 | 116.8 | |||||
| 732 | S | 51.1 | Low | 51.1 | Low | 104 Ų | 104 | 118.6 Ų | 118.6 | 73% | 0.727 | 60% | 0.601 | S | S | * | * | trans | -152.2 | 16.9 | 152.6 | 52.3 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 733 | S | 53.5 | Low | 52.3 | Low | 60 Ų | 60 | 120.3 Ų | 120.3 | 42% | 0.42 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -64.6 | -44.7 | -175.6 | 36.7 | 0 | 0 | 0 | 0 | 113.3 | E735 R736 I737 | S733-E735 PolarHBondContact O-N 2.93Å; S733-R736 CarbonylContact O-C 3.58Å; S733-R736 WeakPolarHBondContact O-CA 3.45Å; S733-R736 WeakPolarHBondContact O-CB 3.32Å; S733-R736 PolarHBondContact O-N 3.35Å; S733-I737 WeakPolarHBondContact O-CG1 3.09Å; S733-I737 PolarHBondContact O-N 3.42Å |
| 734 | D | 47.2 | Very low | 53.7 | Low | 110 Ų | 110 | 121.6 Ų | 121.6 | 59% | 0.588 | 61% | 0.611 | S | S | * | * | H | α-helix | trans | -73.6 | -35.2 | -153.7 | -57.7 | 7 | 0 | 0 | 0 | 112.4 | R736 I737 A738 | D734-R736 VanDerWaalsContact C-N 3.3Å; D734-R736 PolarHBondContact O-N 2.76Å; D734-I737 PolarHBondContact O-N 3.32Å; D734-A738 WeakPolarHBondContact O-CB 3.33Å; D734-A738 PolarHBondContact O-N 2.82Å |
| 735 | E | 58.6 | Low | 55.2 | Low | 129 Ų | 129 | 115.6 Ų | 115.6 | 60% | 0.603 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -72.1 | -25.1 | 173.8 | -146 | -154.7 | 134.7 | 0 | 0 | 112.4 | S733 R739 | S733-E735 PolarHBondContact O-N 2.93Å; E735-R739 VanDerWaalsContact O-CG 3.25Å; E735-R739 WeakPolarHBondContact O-CG 3.32Å; E735-R739 PolarHBondContact O-N 3.38Å; E735-R739 IonicContact OE1-CZ 3Å; E735-R739 IonicContact OE1-NE 2.74Å; E735-R739 PolarHBondContact OE1-NE 3.43Å; E735-R739 IonicContact OE1-NH2 3.07Å; E735-R739 PolarHBondContact OE1-NH2 2.81Å; E735-R739 IonicContact OE2-NH2 2.63Å |
| 736 | R | 63.4 | Low | 56.8 | Low | 188 Ų | 188 | 117 Ų | 117 | 71% | 0.709 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -77.6 | -37.6 | 171.8 | -177.2 | 175.2 | 175.3 | 173.7 | -1.6 | 111.1 | S733 D734 R739 L740 | S733-R736 CarbonylContact O-C 3.58Å; S733-R736 WeakPolarHBondContact O-CA 3.45Å; S733-R736 WeakPolarHBondContact O-CB 3.32Å; S733-R736 PolarHBondContact O-N 3.35Å; D734-R736 VanDerWaalsContact C-N 3.3Å; D734-R736 PolarHBondContact O-N 2.76Å; R736-R739 PolarHBondContact O-N 2.68Å; R736-L740 HydrophobicContact CG-CD1 4.12Å; R736-L740 WeakPolarHBondContact O-CG 3.49Å; R736-L740 PolarHBondContact O-N 3.17Å |
| 737 | I | 57 | Low | 58.4 | Low | 79 Ų | 79 | 112.9 Ų | 112.9 | 41% | 0.405 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -60.5 | -52.3 | 172.5 | -69.4 | 167 | 0 | 0 | 0 | 109.5 | S733 D734 R739 L740 E741 | S733-I737 WeakPolarHBondContact O-CG1 3.09Å; S733-I737 PolarHBondContact O-N 3.42Å; D734-I737 PolarHBondContact O-N 3.32Å; I737-R739 PolarHBondContact O-N 2.81Å; I737-R739 VanDerWaalsContact O-N 3.16Å; I737-L740 CarbonylContact O-C 3.58Å; I737-L740 WeakPolarHBondContact O-CA 3.27Å; I737-L740 PolarHBondContact O-N 3.06Å; I737-E741 HydrophobicContact CG2-CG 4.11Å; I737-E741 WeakPolarHBondContact O-CG 3.3Å; I737-E741 PolarHBondContact O-N 2.86Å |
| 738 | A | 69.8 | Low | 60.9 | Low | 52 Ų | 52 | 109.8 Ų | 109.8 | 43% | 0.43 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -58.5 | -31.8 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114 | D734 K742 | D734-A738 WeakPolarHBondContact O-CB 3.33Å; D734-A738 PolarHBondContact O-N 2.82Å; A738-K742 PolarHBondContact O-N 3.49Å |
| 739 | R | 66.9 | Low | 62.9 | Low | 161 Ų | 161 | 109.1 Ų | 109.1 | 61% | 0.608 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -71.7 | -44.9 | 172.4 | -68.7 | 172.3 | -162.2 | -176.2 | 7.7 | 111.8 | E735 R736 I737 K742 E743 | E735-R739 VanDerWaalsContact O-CG 3.25Å; E735-R739 WeakPolarHBondContact O-CG 3.32Å; E735-R739 PolarHBondContact O-N 3.38Å; E735-R739 IonicContact OE1-CZ 3Å; E735-R739 IonicContact OE1-NE 2.74Å; E735-R739 PolarHBondContact OE1-NE 3.43Å; E735-R739 IonicContact OE1-NH2 3.07Å; E735-R739 PolarHBondContact OE1-NH2 2.81Å; E735-R739 IonicContact OE2-NH2 2.63Å; R736-R739 PolarHBondContact O-N 2.68Å; I737-R739 PolarHBondContact O-N 2.81Å; I737-R739 VanDerWaalsContact O-N 3.16Å; R739-K742 PolarHBondContact O-N 3.42Å; R739-E743 PolarHBondContact O-N 2.71Å |
| 740 | L | 63.1 | Low | 65 | Low | 78 Ų | 78 | 106.1 Ų | 106.1 | 41% | 0.408 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -66.8 | -33.9 | 177.5 | -71.5 | 168.9 | 0 | 0 | 0 | 112.7 | R736 I737 E743 N744 | R736-L740 HydrophobicContact CG-CD1 4.12Å; R736-L740 WeakPolarHBondContact O-CG 3.49Å; R736-L740 PolarHBondContact O-N 3.17Å; I737-L740 CarbonylContact O-C 3.58Å; I737-L740 WeakPolarHBondContact O-CA 3.27Å; I737-L740 PolarHBondContact O-N 3.06Å; L740-E743 PolarHBondContact O-N 3.4Å; L740-N744 VanDerWaalsContact O-CB 3.24Å; L740-N744 WeakPolarHBondContact O-CB 3.34Å; L740-N744 VanDerWaalsContact O-CG 3.26Å; L740-N744 PolarHBondContact O-N 3.26Å; L740-N744 PolarHBondContact O-ND2 3.25Å |
| 741 | E | 69.1 | Low | 67.2 | Low | 123 Ų | 123 | 104.2 Ų | 104.2 | 58% | 0.575 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -63.4 | -42.2 | 171.8 | -73.1 | 173.8 | 159.8 | 0 | 0 | 111.3 | I737 S745 | I737-E741 HydrophobicContact CG2-CG 4.11Å; I737-E741 WeakPolarHBondContact O-CG 3.3Å; I737-E741 PolarHBondContact O-N 2.86Å; E741-S745 WeakPolarHBondContact O-CB 3.43Å; E741-S745 PolarHBondContact O-N 3.34Å |
| 742 | K | 76 | Confident | 69.4 | Low | 155 Ų | 155 | 102.5 Ų | 102.5 | 67% | 0.674 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -68.1 | -38.8 | 175.6 | -170.6 | 173.5 | -178.2 | 177.6 | 0 | 112.4 | A738 R739 S745 V746 | A738-K742 PolarHBondContact O-N 3.49Å; R739-K742 PolarHBondContact O-N 3.42Å; K742-S745 WeakPolarHBondContact O-CB 3.19Å; K742-S745 PolarHBondContact O-N 2.8Å; K742-V746 PolarHBondContact O-N 2.82Å; K742-V746 VanDerWaalsContact O-N 3.16Å |
| 743 | E | 78.6 | Confident | 70.9 | Confident | 113 Ų | 113 | 102 Ų | 102 | 53% | 0.528 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -65.6 | -47.1 | 174.8 | -170.9 | 170.4 | -176.2 | 0 | 0 | 111.3 | R739 L740 S745 V746 L747 | R739-E743 PolarHBondContact O-N 2.71Å; L740-E743 PolarHBondContact O-N 3.4Å; E743-S745 VanDerWaalsContact C-N 3.27Å; E743-S745 PolarHBondContact O-N 2.76Å; E743-V746 PolarHBondContact O-N 3.22Å; E743-L747 HydrophobicContact CG-CD1 4.28Å; E743-L747 WeakPolarHBondContact O-CG 3.14Å; E743-L747 PolarHBondContact O-N 2.79Å |
| 744 | N | 69.6 | Low | 72.1 | Confident | 104 Ų | 104 | 103.6 Ų | 103.6 | 56% | 0.556 | 53% | 0.532 | S | S | * | . | H | α-helix | trans | -60.8 | -33.1 | 173.3 | -77.7 | -32.4 | 0 | 0 | 0 | 112.9 | L740 L747 G748 | L740-N744 VanDerWaalsContact O-CB 3.24Å; L740-N744 WeakPolarHBondContact O-CB 3.34Å; L740-N744 VanDerWaalsContact O-CG 3.26Å; L740-N744 PolarHBondContact O-N 3.26Å; L740-N744 PolarHBondContact O-ND2 3.25Å; N744-L747 PolarHBondContact O-N 2.79Å; N744-G748 PolarHBondContact O-N 3.3Å |
| 745 | S | 78.4 | Confident | 73.8 | Confident | 82 Ų | 82 | 101.8 Ų | 101.8 | 57% | 0.573 | 53% | 0.525 | S | S | * | . | H | α-helix | trans | -64.7 | -46.9 | 174 | -172.9 | 0 | 0 | 0 | 0 | 111.7 | E741 K742 E743 L747 G748 E749 | E741-S745 WeakPolarHBondContact O-CB 3.43Å; E741-S745 PolarHBondContact O-N 3.34Å; K742-S745 WeakPolarHBondContact O-CB 3.19Å; K742-S745 PolarHBondContact O-N 2.8Å; E743-S745 VanDerWaalsContact C-N 3.27Å; E743-S745 PolarHBondContact O-N 2.76Å; S745-L747 PolarHBondContact O-N 3.33Å; S745-G748 PolarHBondContact O-N 2.86Å; S745-E749 PolarHBondContact O-N 3.42Å |
| 746 | V | 79.8 | Confident | 74.8 | Confident | 89 Ų | 89 | 98.2 Ų | 98.2 | 54% | 0.539 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.3 | -38.6 | 175.5 | 174.8 | 0 | 0 | 0 | 0 | 111.7 | K742 E743 E749 S750 | K742-V746 PolarHBondContact O-N 2.82Å; K742-V746 VanDerWaalsContact O-N 3.16Å; E743-V746 PolarHBondContact O-N 3.22Å; V746-E749 PolarHBondContact O-N 3.19Å; V746-S750 WeakPolarHBondContact O-CB 3.39Å; V746-S750 PolarHBondContact O-N 2.75Å |
| 747 | L | 74.5 | Confident | 75.4 | Confident | 91 Ų | 91 | 92.4 Ų | 92.4 | 48% | 0.476 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 173.9 | -69.6 | 172.8 | 0 | 0 | 0 | 111.8 | E743 N744 S745 S750 V751 | E743-L747 HydrophobicContact CG-CD1 4.28Å; E743-L747 WeakPolarHBondContact O-CG 3.14Å; E743-L747 PolarHBondContact O-N 2.79Å; N744-L747 PolarHBondContact O-N 2.79Å; S745-L747 PolarHBondContact O-N 3.33Å; L747-S750 WeakPolarHBondContact O-CB 3.23Å; L747-S750 PolarHBondContact O-N 3.41Å; L747-V751 WeakPolarHBondContact O-CB 3.29Å; L747-V751 VanDerWaalsContact O-CG2 3.31Å; L747-V751 WeakPolarHBondContact O-CG2 3.41Å; L747-V751 PolarHBondContact O-N 2.83Å |
| 748 | G | 81.2 | Confident | 76.2 | Confident | 39 Ų | 39 | 93.8 Ų | 93.8 | 40% | 0.402 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -63.6 | -42.4 | 173.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | N744 S745 V751 Q752 | N744-G748 PolarHBondContact O-N 3.3Å; S745-G748 PolarHBondContact O-N 2.86Å; G748-V751 PolarHBondContact O-N 3.27Å; G748-Q752 WeakPolarHBondContact O-CB 3.44Å; G748-Q752 PolarHBondContact O-N 3.16Å |
| 749 | E | 78 | Confident | 76.6 | Confident | 134 Ų | 134 | 93.8 Ų | 93.8 | 63% | 0.626 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -66.3 | -37.5 | 174.6 | -160.6 | 171.6 | -128.9 | 0 | 0 | 111.4 | S745 V746 Q752 N753 | S745-E749 PolarHBondContact O-N 3.42Å; V746-E749 PolarHBondContact O-N 3.19Å; E749-Q752 PolarHBondContact O-N 3.36Å; E749-N753 WeakPolarHBondContact O-CB 3.4Å; E749-N753 PolarHBondContact O-N 3.15Å; E749-N753 PolarHBondContact O-ND2 2.63Å |
| 750 | S | 79.3 | Confident | 77.1 | Confident | 57 Ų | 57 | 93.4 Ų | 93.4 | 40% | 0.399 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -64 | -45.6 | 171.6 | -174.6 | 0 | 0 | 0 | 0 | 112.4 | V746 L747 Q752 N753 N754 | V746-S750 WeakPolarHBondContact O-CB 3.39Å; V746-S750 PolarHBondContact O-N 2.75Å; L747-S750 WeakPolarHBondContact O-CB 3.23Å; L747-S750 PolarHBondContact O-N 3.41Å; S750-Q752 PolarHBondContact O-N 3Å; S750-N753 PolarHBondContact O-N 2.72Å; S750-N754 PolarHBondContact O-N 2.82Å; S750-N754 PolarHBondContact O-ND2 3.27Å |
| 751 | V | 80.6 | Confident | 77.3 | Confident | 87 Ų | 87 | 91.6 Ų | 91.6 | 53% | 0.527 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.8 | -42.9 | 175 | 168 | 0 | 0 | 0 | 0 | 110.9 | L747 G748 N753 N754 V755 | L747-V751 WeakPolarHBondContact O-CB 3.29Å; L747-V751 VanDerWaalsContact O-CG2 3.31Å; L747-V751 WeakPolarHBondContact O-CG2 3.41Å; L747-V751 PolarHBondContact O-N 2.83Å; G748-V751 PolarHBondContact O-N 3.27Å; V751-N753 VanDerWaalsContact C-N 3.35Å; V751-N753 PolarHBondContact O-N 2.81Å; V751-N754 CarbonylContact O-C 3.55Å; V751-N754 PolarHBondContact O-N 3.27Å; V751-N754 VanDerWaalsContact O-N 3.16Å; V751-V755 HydrophobicContact CG1-CG2 4.25Å; V751-V755 WeakPolarHBondContact O-CB 3.35Å; V751-V755 WeakPolarHBondContact O-CG2 3.37Å; V751-V755 PolarHBondContact O-N 2.69Å |
| 752 | Q | 82 | Confident | 77.6 | Confident | 117 Ų | 117 | 91.6 Ų | 91.6 | 55% | 0.547 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -65.5 | -36.5 | 177.4 | -171.4 | 64.9 | 5.6 | 0 | 0 | 112.4 | G748 E749 S750 T756 | G748-Q752 WeakPolarHBondContact O-CB 3.44Å; G748-Q752 PolarHBondContact O-N 3.16Å; E749-Q752 PolarHBondContact O-N 3.36Å; S750-Q752 PolarHBondContact O-N 3Å; Q752-T756 WeakPolarHBondContact O-CB 3.24Å; Q752-T756 WeakPolarHBondContact O-CG2 3.31Å; Q752-T756 PolarHBondContact O-N 2.84Å; Q752-T756 PolarHBondContact O-OG1 2.94Å |
| 753 | N | 81.5 | Confident | 77.7 | Confident | 93 Ų | 93 | 89 Ų | 89 | 50% | 0.497 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -65.9 | -40.2 | 171.2 | -78 | -56.6 | 0 | 0 | 0 | 111.8 | E749 S750 V751 T756 C757 | E749-N753 WeakPolarHBondContact O-CB 3.4Å; E749-N753 PolarHBondContact O-N 3.15Å; E749-N753 PolarHBondContact O-ND2 2.63Å; S750-N753 PolarHBondContact O-N 2.72Å; V751-N753 VanDerWaalsContact C-N 3.35Å; V751-N753 PolarHBondContact O-N 2.81Å; N753-T756 WeakPolarHBondContact CA-OG1 3.32Å; N753-T756 PolarHBondContact O-OG1 2.75Å; N753-T756 VanDerWaalsContact O-OG1 3.13Å; N753-C757 WeakPolarHBondContact O-CB 2.85Å; N753-C757 PolarHBondContact O-N 3.35Å; N753-C757 PolarHBondContact O-SG 3.39Å; N753-C757 VanDerWaalsContact O-SG 3.34Å |
| 754 | N | 80.3 | Confident | 77.7 | Confident | 95 Ų | 95 | 89.3 Ų | 89.3 | 51% | 0.508 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.4 | -41.4 | 175.4 | -70.8 | -33.2 | 0 | 0 | 0 | 112.3 | S750 V751 C757 L758 | S750-N754 PolarHBondContact O-N 2.82Å; S750-N754 PolarHBondContact O-ND2 3.27Å; V751-N754 CarbonylContact O-C 3.55Å; V751-N754 PolarHBondContact O-N 3.27Å; V751-N754 VanDerWaalsContact O-N 3.16Å; N754-C757 PolarHBondContact O-N 3.06Å; N754-L758 WeakPolarHBondContact O-CB 3.45Å; N754-L758 WeakPolarHBondContact O-CG 3.39Å; N754-L758 PolarHBondContact O-N 3.21Å |
| 755 | V | 83 | Confident | 78 | Confident | 72 Ų | 72 | 88.2 Ų | 88.2 | 44% | 0.436 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -63.8 | -42.7 | 175.1 | 168.6 | 0 | 0 | 0 | 0 | 111.3 | V751 C757 L758 A759 | V751-V755 HydrophobicContact CG1-CG2 4.25Å; V751-V755 WeakPolarHBondContact O-CB 3.35Å; V751-V755 WeakPolarHBondContact O-CG2 3.37Å; V751-V755 PolarHBondContact O-N 2.69Å; V755-C757 VanDerWaalsContact C-N 3.33Å; V755-C757 PolarHBondContact O-N 2.89Å; V755-L758 PolarHBondContact O-N 3.32Å; V755-A759 WeakPolarHBondContact O-CB 3.45Å; V755-A759 PolarHBondContact O-N 2.86Å |
| 756 | T | 79.4 | Confident | 78 | Confident | 54 Ų | 54 | 87.5 Ų | 87.5 | 33% | 0.331 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -72.3 | -24.7 | 176.5 | 53.8 | 0 | 0 | 0 | 0 | 113.4 | Q752 N753 R760 | Q752-T756 WeakPolarHBondContact O-CB 3.24Å; Q752-T756 WeakPolarHBondContact O-CG2 3.31Å; Q752-T756 PolarHBondContact O-N 2.84Å; Q752-T756 PolarHBondContact O-OG1 2.94Å; N753-T756 WeakPolarHBondContact CA-OG1 3.32Å; N753-T756 PolarHBondContact O-OG1 2.75Å; N753-T756 VanDerWaalsContact O-OG1 3.13Å; T756-R760 WeakPolarHBondContact O-CB 3.35Å; T756-R760 PolarHBondContact O-N 2.76Å |
| 757 | C | 76.1 | Confident | 77.8 | Confident | 66 Ų | 66 | 87.7 Ų | 87.7 | 45% | 0.446 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -74.3 | -40.6 | 167.6 | -76.1 | 0 | 0 | 0 | 0 | 112.5 | N753 N754 V755 R760 A761 | N753-C757 WeakPolarHBondContact O-CB 2.85Å; N753-C757 PolarHBondContact O-N 3.35Å; N753-C757 PolarHBondContact O-SG 3.39Å; N753-C757 VanDerWaalsContact O-SG 3.34Å; N754-C757 PolarHBondContact O-N 3.06Å; V755-C757 VanDerWaalsContact C-N 3.33Å; V755-C757 PolarHBondContact O-N 2.89Å; C757-R760 WeakPolarHBondContact O-CB 3.4Å; C757-R760 PolarHBondContact O-N 3.37Å; C757-R760 PolarHBondContact SG-NH1 3.37Å; C757-R760 VanDerWaalsContact SG-NH1 3.44Å; C757-A761 PolarHBondContact O-N 2.92Å |
| 758 | L | 72.9 | Confident | 77.9 | Confident | 108 Ų | 108 | 87.6 Ų | 87.6 | 57% | 0.565 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -61 | -50.4 | 173.5 | -78.7 | 167 | 0 | 0 | 0 | 111.3 | N754 V755 R760 A761 E762 | N754-L758 WeakPolarHBondContact O-CB 3.45Å; N754-L758 WeakPolarHBondContact O-CG 3.39Å; N754-L758 PolarHBondContact O-N 3.21Å; V755-L758 PolarHBondContact O-N 3.32Å; L758-R760 PolarHBondContact O-N 3.2Å; L758-A761 CarbonylContact O-C 3.52Å; L758-A761 WeakPolarHBondContact O-CA 3.15Å; L758-A761 WeakPolarHBondContact O-CB 3.19Å; L758-A761 PolarHBondContact O-N 3.42Å; L758-E762 WeakPolarHBondContact O-CG 3.19Å; L758-E762 PolarHBondContact O-N 2.76Å |
| 759 | A | 78.5 | Confident | 78 | Confident | 52 Ų | 52 | 93.9 Ų | 93.9 | 43% | 0.43 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.2 | -31.6 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.8 | V755 L763 | V755-A759 WeakPolarHBondContact O-CB 3.45Å; V755-A759 PolarHBondContact O-N 2.86Å; A759-L763 WeakPolarHBondContact O-CB 3.4Å; A759-L763 PolarHBondContact O-N 2.78Å; A759-L763 VanDerWaalsContact O-N 3.11Å |
| 760 | R | 76.6 | Confident | 78.1 | Confident | 152 Ų | 152 | 93.3 Ų | 93.3 | 57% | 0.574 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -71.3 | -40 | 173.7 | -164.9 | -179.6 | -60.8 | 111.9 | 3.7 | 111.7 | T756 C757 L758 L763 E764 | T756-R760 WeakPolarHBondContact O-CB 3.35Å; T756-R760 PolarHBondContact O-N 2.76Å; C757-R760 WeakPolarHBondContact O-CB 3.4Å; C757-R760 PolarHBondContact O-N 3.37Å; C757-R760 PolarHBondContact SG-NH1 3.37Å; C757-R760 VanDerWaalsContact SG-NH1 3.44Å; L758-R760 PolarHBondContact O-N 3.2Å; R760-L763 PolarHBondContact O-N 3.29Å; R760-E764 PolarHBondContact O-N 3.21Å |
| 761 | A | 68.3 | Low | 78.3 | Confident | 41 Ų | 41 | 97.9 Ų | 97.9 | 34% | 0.339 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -69.5 | -37.5 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | C757 L758 L763 E764 I765 | C757-A761 PolarHBondContact O-N 2.92Å; L758-A761 CarbonylContact O-C 3.52Å; L758-A761 WeakPolarHBondContact O-CA 3.15Å; L758-A761 WeakPolarHBondContact O-CB 3.19Å; L758-A761 PolarHBondContact O-N 3.42Å; A761-L763 VanDerWaalsContact C-N 3.33Å; A761-L763 PolarHBondContact O-N 2.84Å; A761-E764 PolarHBondContact O-N 2.75Å; A761-I765 WeakPolarHBondContact O-CB 3.13Å; A761-I765 VanDerWaalsContact O-CG1 3.24Å; A761-I765 WeakPolarHBondContact O-CG1 3.25Å; A761-I765 PolarHBondContact O-N 3.4Å |
| 762 | E | 75.6 | Confident | 78 | Confident | 122 Ų | 122 | 98.8 Ų | 98.8 | 57% | 0.57 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -63.7 | -38.6 | 173.1 | -72.4 | 176.3 | 156.5 | 0 | 0 | 111.8 | L758 S766 | L758-E762 WeakPolarHBondContact O-CG 3.19Å; L758-E762 PolarHBondContact O-N 2.76Å; E762-S766 VanDerWaalsContact O-CB 3.3Å; E762-S766 WeakPolarHBondContact O-CB 3.08Å; E762-S766 PolarHBondContact O-N 2.77Å; E762-S766 PolarHBondContact O-OG 2.82Å |
| 763 | L | 76.9 | Confident | 77.9 | Confident | 102 Ų | 102 | 96.5 Ų | 96.5 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.1 | -36.2 | 174 | -171.4 | 134.9 | 0 | 0 | 0 | 111.8 | A759 R760 A761 S766 Q767 | A759-L763 WeakPolarHBondContact O-CB 3.4Å; A759-L763 PolarHBondContact O-N 2.78Å; A759-L763 VanDerWaalsContact O-N 3.11Å; R760-L763 PolarHBondContact O-N 3.29Å; A761-L763 VanDerWaalsContact C-N 3.33Å; A761-L763 PolarHBondContact O-N 2.84Å; L763-S766 PolarHBondContact O-N 3.16Å; L763-Q767 VanDerWaalsContact CD2-NE2 3.3Å; L763-Q767 WeakPolarHBondContact O-CG 3.17Å; L763-Q767 PolarHBondContact O-N 2.82Å |
| 764 | E | 79.8 | Confident | 77.6 | Confident | 118 Ų | 118 | 97.7 Ų | 97.7 | 55% | 0.551 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -67.8 | -44.8 | 171.6 | -176.6 | 163.3 | -154.5 | 0 | 0 | 112.2 | R760 A761 S766 Q767 L768 | R760-E764 PolarHBondContact O-N 3.21Å; A761-E764 PolarHBondContact O-N 2.75Å; E764-S766 VanDerWaalsContact C-N 3.26Å; E764-S766 PolarHBondContact O-N 3Å; E764-Q767 CarbonylContact O-C 3.55Å; E764-Q767 PolarHBondContact O-N 3.47Å; E764-Q767 VanDerWaalsContact O-N 3.13Å; E764-L768 HydrophobicContact CG-CD1 4.22Å; E764-L768 WeakPolarHBondContact O-CB 3.29Å; E764-L768 WeakPolarHBondContact O-CG 3.44Å; E764-L768 PolarHBondContact O-N 2.62Å |
| 765 | I | 76.3 | Confident | 77.2 | Confident | 82 Ų | 82 | 95.1 Ų | 95.1 | 42% | 0.421 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.1 | -40 | 172.1 | -71.9 | 163.9 | 0 | 0 | 0 | 110.5 | A761 L768 R769 | A761-I765 WeakPolarHBondContact O-CB 3.13Å; A761-I765 VanDerWaalsContact O-CG1 3.24Å; A761-I765 WeakPolarHBondContact O-CG1 3.25Å; A761-I765 PolarHBondContact O-N 3.4Å; I765-L768 PolarHBondContact O-N 2.71Å; I765-R769 HydrophobicContact CG2-CG 4.5Å; I765-R769 WeakPolarHBondContact O-CB 3.21Å; I765-R769 VanDerWaalsContact O-CG 3.29Å; I765-R769 WeakPolarHBondContact O-CG 3.49Å; I765-R769 PolarHBondContact O-N 2.68Å |
| 766 | S | 76.9 | Confident | 76.9 | Confident | 67 Ų | 67 | 95.1 Ų | 95.1 | 47% | 0.469 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -67.2 | -38.8 | 176.3 | -60.2 | 0 | 0 | 0 | 0 | 112.1 | E762 L763 E764 R769 H770 | E762-S766 VanDerWaalsContact O-CB 3.3Å; E762-S766 WeakPolarHBondContact O-CB 3.08Å; E762-S766 PolarHBondContact O-N 2.77Å; E762-S766 PolarHBondContact O-OG 2.82Å; L763-S766 PolarHBondContact O-N 3.16Å; E764-S766 VanDerWaalsContact C-N 3.26Å; E764-S766 PolarHBondContact O-N 3Å; S766-R769 PolarHBondContact O-N 2.96Å; S766-H770 PolarHBondContact O-N 3.45Å |
| 767 | Q | 76.7 | Confident | 76.8 | Confident | 92 Ų | 92 | 98.4 Ų | 98.4 | 43% | 0.43 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -67.3 | -37.7 | 172 | -72.9 | -179.1 | 26.8 | 0 | 0 | 112.6 | L763 E764 H770 R771 | L763-Q767 VanDerWaalsContact CD2-NE2 3.3Å; L763-Q767 WeakPolarHBondContact O-CG 3.17Å; L763-Q767 PolarHBondContact O-N 2.82Å; E764-Q767 CarbonylContact O-C 3.55Å; E764-Q767 PolarHBondContact O-N 3.47Å; E764-Q767 VanDerWaalsContact O-N 3.13Å; Q767-H770 PolarHBondContact O-N 2.84Å; Q767-R771 WeakPolarHBondContact O-CG 3.49Å; Q767-R771 PolarHBondContact O-N 2.86Å |
| 768 | L | 75.6 | Confident | 76.8 | Confident | 90 Ų | 90 | 100.3 Ų | 100.3 | 47% | 0.471 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -67.7 | -40.7 | 175.3 | -71.1 | 171.2 | 0 | 0 | 0 | 111.3 | E764 I765 R771 L772 | E764-L768 HydrophobicContact CG-CD1 4.22Å; E764-L768 WeakPolarHBondContact O-CB 3.29Å; E764-L768 WeakPolarHBondContact O-CG 3.44Å; E764-L768 PolarHBondContact O-N 2.62Å; I765-L768 PolarHBondContact O-N 2.71Å; L768-R771 PolarHBondContact O-N 2.86Å; L768-L772 WeakPolarHBondContact O-CB 3.49Å; L768-L772 PolarHBondContact O-N 2.84Å |
| 769 | R | 82.7 | Confident | 77.1 | Confident | 171 Ų | 171 | 98.1 Ų | 98.1 | 65% | 0.645 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -59.8 | -44.6 | 170.5 | -75 | 172.4 | 179.3 | 179.1 | 0.3 | 111.6 | I765 S766 R771 L772 T773 | I765-R769 HydrophobicContact CG2-CG 4.5Å; I765-R769 WeakPolarHBondContact O-CB 3.21Å; I765-R769 VanDerWaalsContact O-CG 3.29Å; I765-R769 WeakPolarHBondContact O-CG 3.49Å; I765-R769 PolarHBondContact O-N 2.68Å; S766-R769 PolarHBondContact O-N 2.96Å; R769-R771 VanDerWaalsContact C-N 3.34Å; R769-R771 PolarHBondContact O-N 3.24Å; R769-L772 WeakPolarHBondContact O-CB 3.07Å; R769-L772 PolarHBondContact O-N 3.3Å; R769-L772 VanDerWaalsContact O-N 3.16Å; R769-T773 PolarHBondContact O-N 2.94Å; R769-T773 PolarHBondContact O-OG1 2.68Å |
| 770 | H | 81.1 | Confident | 77.2 | Confident | 122 Ų | 122 | 102.8 Ų | 102.8 | 57% | 0.565 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -66.9 | -33 | 176 | -177 | 54.6 | 0 | 0 | 0 | 113.2 | S766 Q767 T773 K774 | S766-H770 PolarHBondContact O-N 3.45Å; Q767-H770 PolarHBondContact O-N 2.84Å; H770-T773 PolarHBondContact O-OG1 3.19Å; H770-T773 VanDerWaalsContact O-OG1 3.08Å; H770-K774 VanDerWaalsContact O-CB 3.27Å; H770-K774 WeakPolarHBondContact O-CB 3.4Å; H770-K774 PolarHBondContact O-N 3.49Å; H770-K774 VanDerWaalsContact O-N 3.12Å |
| 771 | R | 83.8 | Confident | 77.3 | Confident | 152 Ų | 152 | 102.1 Ų | 102.1 | 57% | 0.574 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -67.3 | -37.1 | 170.2 | -74.2 | 173.8 | -173.8 | 151 | 7 | 111.8 | Q767 L768 R769 K774 A775 | Q767-R771 WeakPolarHBondContact O-CG 3.49Å; Q767-R771 PolarHBondContact O-N 2.86Å; L768-R771 PolarHBondContact O-N 2.86Å; R769-R771 VanDerWaalsContact C-N 3.34Å; R769-R771 PolarHBondContact O-N 3.24Å; R771-K774 PolarHBondContact O-N 2.86Å; R771-A775 WeakPolarHBondContact O-CB 3.47Å; R771-A775 PolarHBondContact O-N 2.84Å |
| 772 | L | 75 | Confident | 77.6 | Confident | 107 Ų | 107 | 105.4 Ų | 105.4 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.5 | -51.2 | 175.9 | -175.7 | 64.1 | 0 | 0 | 0 | 111.2 | L768 R769 K774 A775 D776 | L768-L772 WeakPolarHBondContact O-CB 3.49Å; L768-L772 PolarHBondContact O-N 2.84Å; R769-L772 WeakPolarHBondContact O-CB 3.07Å; R769-L772 PolarHBondContact O-N 3.3Å; R769-L772 VanDerWaalsContact O-N 3.16Å; L772-K774 PolarHBondContact O-N 2.96Å; L772-A775 CarbonylContact O-C 3.27Å; L772-A775 WeakPolarHBondContact O-CA 3.24Å; L772-A775 VanDerWaalsContact O-CB 3.31Å; L772-A775 WeakPolarHBondContact O-CB 3.35Å; L772-A775 PolarHBondContact O-N 3.33Å; L772-D776 PolarHBondContact O-N 3.4Å |
| 773 | T | 78 | Confident | 77.8 | Confident | 69 Ų | 69 | 104 Ų | 104 | 42% | 0.423 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -58.9 | -35.3 | 176.5 | 58 | 0 | 0 | 0 | 0 | 112 | R769 H770 D776 E777 | R769-T773 PolarHBondContact O-N 2.94Å; R769-T773 PolarHBondContact O-OG1 2.68Å; H770-T773 PolarHBondContact O-OG1 3.19Å; H770-T773 VanDerWaalsContact O-OG1 3.08Å; T773-D776 PolarHBondContact O-N 2.75Å; T773-E777 WeakPolarHBondContact O-CG 3.31Å; T773-E777 PolarHBondContact O-N 2.72Å |
| 774 | K | 76.4 | Confident | 77.8 | Confident | 117 Ų | 117 | 101.4 Ų | 101.4 | 51% | 0.509 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -73 | -27.8 | 174.8 | -170 | 167.2 | -173.9 | 169 | 0 | 113.2 | H770 R771 L772 L778 | H770-K774 VanDerWaalsContact O-CB 3.27Å; H770-K774 WeakPolarHBondContact O-CB 3.4Å; H770-K774 PolarHBondContact O-N 3.49Å; H770-K774 VanDerWaalsContact O-N 3.12Å; R771-K774 PolarHBondContact O-N 2.86Å; L772-K774 PolarHBondContact O-N 2.96Å; K774-L778 WeakPolarHBondContact O-CB 3.41Å; K774-L778 VanDerWaalsContact O-CG 3.26Å; K774-L778 WeakPolarHBondContact O-CG 3.36Å; K774-L778 PolarHBondContact O-N 3.37Å; K774-L778 VanDerWaalsContact O-N 3.16Å |
| 775 | A | 71.2 | Confident | 77.2 | Confident | 42 Ų | 42 | 99.4 Ų | 99.4 | 35% | 0.347 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.8 | -42.3 | 168.2 | 0 | 0 | 0 | 0 | 0 | 110.4 | R771 L772 E777 L778 C779 | R771-A775 WeakPolarHBondContact O-CB 3.47Å; R771-A775 PolarHBondContact O-N 2.84Å; L772-A775 CarbonylContact O-C 3.27Å; L772-A775 WeakPolarHBondContact O-CA 3.24Å; L772-A775 VanDerWaalsContact O-CB 3.31Å; L772-A775 WeakPolarHBondContact O-CB 3.35Å; L772-A775 PolarHBondContact O-N 3.33Å; A775-E777 PolarHBondContact O-N 2.86Å; A775-L778 CarbonylContact O-C 3.57Å; A775-L778 WeakPolarHBondContact O-CA 3.48Å; A775-L778 WeakPolarHBondContact O-CB 3.43Å; A775-L778 PolarHBondContact O-N 2.77Å; A775-C779 PolarHBondContact O-N 2.83Å; A775-C779 PolarHBondContact O-SG 2.79Å; A775-C779 VanDerWaalsContact O-SG 3.38Å |
| 776 | D | 77.3 | Confident | 77.3 | Confident | 72 Ų | 72 | 98.2 Ų | 98.2 | 39% | 0.385 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.9 | -38.1 | 176.4 | -58.2 | -35.2 | 0 | 0 | 0 | 112.3 | L772 T773 L778 C779 K780 | L772-D776 PolarHBondContact O-N 3.4Å; T773-D776 PolarHBondContact O-N 2.75Å; D776-L778 VanDerWaalsContact C-N 3.34Å; D776-C779 PolarHBondContact O-N 2.72Å; D776-K780 WeakPolarHBondContact O-CB 3.05Å; D776-K780 WeakPolarHBondContact O-CG 3.15Å; D776-K780 PolarHBondContact O-N 2.78Å |
| 777 | E | 76.4 | Confident | 77.6 | Confident | 123 Ų | 123 | 100.1 Ų | 100.1 | 58% | 0.575 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -60.7 | -41.1 | 169.4 | -76.8 | 171.6 | -179.8 | 0 | 0 | 111.9 | T773 A775 R781 | T773-E777 WeakPolarHBondContact O-CG 3.31Å; T773-E777 PolarHBondContact O-N 2.72Å; A775-E777 PolarHBondContact O-N 2.86Å; E777-R781 VanDerWaalsContact O-CB 3.29Å; E777-R781 WeakPolarHBondContact O-CB 3.17Å; E777-R781 PolarHBondContact O-N 3.39Å |
| 778 | L | 77.4 | Confident | 77.8 | Confident | 106 Ų | 106 | 100.8 Ų | 100.8 | 56% | 0.555 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -72.7 | -33.2 | 176.8 | -73.6 | 169.8 | 0 | 0 | 0 | 112.6 | K774 A775 D776 R781 L782 | K774-L778 WeakPolarHBondContact O-CB 3.41Å; K774-L778 VanDerWaalsContact O-CG 3.26Å; K774-L778 WeakPolarHBondContact O-CG 3.36Å; K774-L778 PolarHBondContact O-N 3.37Å; K774-L778 VanDerWaalsContact O-N 3.16Å; A775-L778 CarbonylContact O-C 3.57Å; A775-L778 WeakPolarHBondContact O-CA 3.48Å; A775-L778 WeakPolarHBondContact O-CB 3.43Å; A775-L778 PolarHBondContact O-N 2.77Å; D776-L778 VanDerWaalsContact C-N 3.34Å; L778-R781 PolarHBondContact O-N 2.94Å; L778-L782 WeakPolarHBondContact O-CB 3.31Å; L778-L782 PolarHBondContact O-N 2.95Å |
| 779 | C | 77.8 | Confident | 77.9 | Confident | 62 Ų | 62 | 104.4 Ų | 104.4 | 42% | 0.419 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -64 | -54.9 | 170.6 | -71.5 | 0 | 0 | 0 | 0 | 110 | A775 D776 R781 L782 D783 | A775-C779 PolarHBondContact O-N 2.83Å; A775-C779 PolarHBondContact O-SG 2.79Å; A775-C779 VanDerWaalsContact O-SG 3.38Å; D776-C779 PolarHBondContact O-N 2.72Å; C779-R781 PolarHBondContact O-N 2.74Å; C779-R781 VanDerWaalsContact O-N 3.09Å; C779-L782 CarbonylContact O-C 3.6Å; C779-L782 WeakPolarHBondContact O-CA 3.27Å; C779-L782 WeakPolarHBondContact O-CB 3.2Å; C779-L782 PolarHBondContact O-N 2.74Å; C779-D783 PolarHBondContact O-N 2.73Å; C779-D783 VanDerWaalsContact O-OD2 3.04Å |
| 780 | K | 81.9 | Confident | 77.8 | Confident | 150 Ų | 150 | 99.5 Ų | 99.5 | 65% | 0.652 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -57.3 | -30.2 | 174.9 | -70.5 | 168 | -177.9 | 173.1 | 0 | 112.7 | D776 S784 | D776-K780 WeakPolarHBondContact O-CB 3.05Å; D776-K780 WeakPolarHBondContact O-CG 3.15Å; D776-K780 PolarHBondContact O-N 2.78Å; K780-S784 WeakPolarHBondContact O-CB 3.3Å; K780-S784 PolarHBondContact O-N 3.17Å; K780-S784 PolarHBondContact O-OG 2.84Å |
| 781 | R | 79.1 | Confident | 77.8 | Confident | 138 Ų | 138 | 98.9 Ų | 98.9 | 52% | 0.521 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -74.9 | -35.7 | 172.1 | -167.9 | 55.2 | 176.5 | 159.6 | 4.4 | 112.9 | E777 L778 C779 S784 L785 | E777-R781 VanDerWaalsContact O-CB 3.29Å; E777-R781 WeakPolarHBondContact O-CB 3.17Å; E777-R781 PolarHBondContact O-N 3.39Å; L778-R781 PolarHBondContact O-N 2.94Å; C779-R781 PolarHBondContact O-N 2.74Å; C779-R781 VanDerWaalsContact O-N 3.09Å; R781-S784 WeakPolarHBondContact CA-OG 3.48Å; R781-S784 PolarHBondContact O-OG 3.39Å; R781-L785 HydrophobicContact CG-CD1 4.11Å; R781-L785 WeakPolarHBondContact O-CB 3.38Å; R781-L785 WeakPolarHBondContact O-CD1 3.14Å; R781-L785 WeakPolarHBondContact O-CG 3.31Å; R781-L785 PolarHBondContact O-N 3.43Å |
| 782 | L | 74.4 | Confident | 77.3 | Confident | 109 Ų | 109 | 96.4 Ų | 96.4 | 57% | 0.571 | 49% | 0.485 | S | S | * | . | H | α-helix | trans | -67.3 | -39.5 | 170.7 | -91.3 | 164.1 | 0 | 0 | 0 | 112.1 | L778 C779 L785 T786 | L778-L782 WeakPolarHBondContact O-CB 3.31Å; L778-L782 PolarHBondContact O-N 2.95Å; C779-L782 CarbonylContact O-C 3.6Å; C779-L782 WeakPolarHBondContact O-CA 3.27Å; C779-L782 WeakPolarHBondContact O-CB 3.2Å; C779-L782 PolarHBondContact O-N 2.74Å; L782-L785 CarbonylContact O-C 3.55Å; L782-L785 PolarHBondContact O-N 2.77Å; L782-T786 WeakPolarHBondContact O-CB 3.09Å; L782-T786 PolarHBondContact O-N 2.88Å; L782-T786 PolarHBondContact O-OG1 3.23Å |
| 783 | D | 80 | Confident | 77.5 | Confident | 92 Ų | 92 | 94.8 Ų | 94.8 | 49% | 0.492 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -66.4 | -52.7 | 177.7 | -59 | -37.8 | 0 | 0 | 0 | 109.8 | C779 L785 T786 D787 | C779-D783 PolarHBondContact O-N 2.73Å; C779-D783 VanDerWaalsContact O-OD2 3.04Å; D783-L785 VanDerWaalsContact C-N 3.31Å; D783-L785 PolarHBondContact O-N 3.27Å; D783-T786 CarbonylContact O-C 3.58Å; D783-T786 WeakPolarHBondContact O-CA 3.31Å; D783-T786 WeakPolarHBondContact O-CB 3.5Å; D783-T786 PolarHBondContact O-N 3.49Å; D783-D787 PolarHBondContact O-N 2.99Å |
| 784 | S | 75.5 | Confident | 77.4 | Confident | 49 Ų | 49 | 94 Ų | 94 | 34% | 0.343 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62.6 | -33 | 175.3 | 53.2 | 0 | 0 | 0 | 0 | 113.7 | K780 R781 T786 E788 | K780-S784 WeakPolarHBondContact O-CB 3.3Å; K780-S784 PolarHBondContact O-N 3.17Å; K780-S784 PolarHBondContact O-OG 2.84Å; R781-S784 WeakPolarHBondContact CA-OG 3.48Å; R781-S784 PolarHBondContact O-OG 3.39Å; S784-T786 VanDerWaalsContact C-N 3.35Å; S784-E788 VanDerWaalsContact O-CB 3.24Å; S784-E788 WeakPolarHBondContact O-CB 2.91Å; S784-E788 PolarHBondContact O-N 3.4Å |
| 785 | L | 67.8 | Low | 77.5 | Confident | 76 Ų | 76 | 92 Ų | 92 | 40% | 0.398 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -72.5 | -26.5 | 169.8 | -75.2 | 170.2 | 0 | 0 | 0 | 112.8 | R781 L782 D783 R789 | R781-L785 HydrophobicContact CG-CD1 4.11Å; R781-L785 WeakPolarHBondContact O-CB 3.38Å; R781-L785 WeakPolarHBondContact O-CD1 3.14Å; R781-L785 WeakPolarHBondContact O-CG 3.31Å; R781-L785 PolarHBondContact O-N 3.43Å; L782-L785 CarbonylContact O-C 3.55Å; L782-L785 PolarHBondContact O-N 2.77Å; D783-L785 VanDerWaalsContact C-N 3.31Å; D783-L785 PolarHBondContact O-N 3.27Å; L785-R789 WeakPolarHBondContact O-CB 3.12Å; L785-R789 PolarHBondContact O-N 2.73Å |
| 786 | T | 79.4 | Confident | 77.6 | Confident | 57 Ų | 57 | 94.5 Ų | 94.5 | 35% | 0.35 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -76.4 | -40.1 | 175.5 | -65.5 | 0 | 0 | 0 | 0 | 110.4 | L782 D783 S784 R789 N790 | L782-T786 WeakPolarHBondContact O-CB 3.09Å; L782-T786 PolarHBondContact O-N 2.88Å; L782-T786 PolarHBondContact O-OG1 3.23Å; D783-T786 CarbonylContact O-C 3.58Å; D783-T786 WeakPolarHBondContact O-CA 3.31Å; D783-T786 WeakPolarHBondContact O-CB 3.5Å; D783-T786 PolarHBondContact O-N 3.49Å; S784-T786 VanDerWaalsContact C-N 3.35Å; T786-R789 CarbonylContact O-C 3.59Å; T786-R789 PolarHBondContact O-N 2.88Å; T786-N790 VanDerWaalsContact O-CB 3.25Å; T786-N790 WeakPolarHBondContact O-CB 3.27Å; T786-N790 PolarHBondContact O-N 2.7Å; T786-N790 PolarHBondContact O-ND2 3.21Å; T786-N790 VanDerWaalsContact O-ND2 3.16Å; T786-N790 PolarHBondContact O-OD1 2.84Å |
| 787 | D | 82.5 | Confident | 77.7 | Confident | 107 Ų | 107 | 92.2 Ų | 92.2 | 57% | 0.572 | 48% | 0.477 | S | S | * | . | H | α-helix | trans | -66.1 | -43 | 170.6 | -72 | -26.8 | 0 | 0 | 0 | 111.5 | D783 R789 N790 Q791 | D783-D787 PolarHBondContact O-N 2.99Å; D787-R789 VanDerWaalsContact C-N 3.33Å; D787-R789 PolarHBondContact O-N 2.69Å; D787-N790 PolarHBondContact O-N 2.94Å; D787-N790 VanDerWaalsContact O-N 3.17Å; D787-Q791 VanDerWaalsContact O-CB 3.26Å; D787-Q791 WeakPolarHBondContact O-CB 3.39Å; D787-Q791 PolarHBondContact O-N 2.69Å |
| 788 | E | 79.8 | Confident | 77.6 | Confident | 106 Ų | 106 | 88.4 Ų | 88.4 | 50% | 0.495 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -61.9 | -40.3 | 172.3 | -171.3 | 168.4 | -140.1 | 0 | 0 | 111.1 | S784 L792 | S784-E788 VanDerWaalsContact O-CB 3.24Å; S784-E788 WeakPolarHBondContact O-CB 2.91Å; S784-E788 PolarHBondContact O-N 3.4Å; E788-L792 HydrophobicContact CG-CD1 4.15Å; E788-L792 VanDerWaalsContact O-CB 3.25Å; E788-L792 WeakPolarHBondContact O-CB 3.33Å; E788-L792 WeakPolarHBondContact O-CG 3.39Å; E788-L792 PolarHBondContact O-N 2.8Å |
| 789 | R | 78.8 | Confident | 77.2 | Confident | 165 Ų | 165 | 85.1 Ų | 85.1 | 62% | 0.623 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -65.5 | -38.2 | 172.4 | -168.1 | -156.7 | 75.2 | 159.7 | 4 | 112.3 | L785 T786 D787 S793 | L785-R789 WeakPolarHBondContact O-CB 3.12Å; L785-R789 PolarHBondContact O-N 2.73Å; T786-R789 CarbonylContact O-C 3.59Å; T786-R789 PolarHBondContact O-N 2.88Å; D787-R789 VanDerWaalsContact C-N 3.33Å; D787-R789 PolarHBondContact O-N 2.69Å; R789-S793 WeakPolarHBondContact O-CB 2.81Å; R789-S793 PolarHBondContact O-N 3.41Å |
| 790 | N | 80.7 | Confident | 77.4 | Confident | 69 Ų | 69 | 88.2 Ų | 88.2 | 37% | 0.369 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74 | -39 | -179.2 | -69.4 | -20.5 | 0 | 0 | 0 | 110.8 | T786 D787 S793 A794 | T786-N790 VanDerWaalsContact O-CB 3.25Å; T786-N790 WeakPolarHBondContact O-CB 3.27Å; T786-N790 PolarHBondContact O-N 2.7Å; T786-N790 PolarHBondContact O-ND2 3.21Å; T786-N790 VanDerWaalsContact O-ND2 3.16Å; T786-N790 PolarHBondContact O-OD1 2.84Å; D787-N790 PolarHBondContact O-N 2.94Å; D787-N790 VanDerWaalsContact O-N 3.17Å; N790-S793 CarbonylContact O-C 3.52Å; N790-S793 WeakPolarHBondContact O-CB 3.09Å; N790-S793 PolarHBondContact O-N 3.14Å; N790-A794 WeakPolarHBondContact O-CB 2.86Å; N790-A794 PolarHBondContact O-N 3.04Å |
| 791 | Q | 81.3 | Confident | 77.1 | Confident | 109 Ų | 109 | 89.1 Ų | 89.1 | 51% | 0.509 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -62.7 | -47.9 | 169.9 | 178 | 61 | 21.5 | 0 | 0 | 110.9 | D787 S793 A794 E795 | D787-Q791 VanDerWaalsContact O-CB 3.26Å; D787-Q791 WeakPolarHBondContact O-CB 3.39Å; D787-Q791 PolarHBondContact O-N 2.69Å; Q791-S793 VanDerWaalsContact C-N 3.28Å; Q791-S793 PolarHBondContact O-N 3.47Å; Q791-A794 CarbonylContact O-C 3.59Å; Q791-A794 PolarHBondContact O-N 2.79Å; Q791-A794 VanDerWaalsContact O-N 3.16Å; Q791-E795 PolarHBondContact NE2-OE1 2.66Å; Q791-E795 WeakPolarHBondContact O-CB 3.36Å; Q791-E795 WeakPolarHBondContact O-CG 3.27Å; Q791-E795 PolarHBondContact O-N 3.4Å |
| 792 | L | 73.9 | Confident | 77.1 | Confident | 99 Ų | 99 | 88.6 Ų | 88.6 | 52% | 0.518 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -65.1 | -30.5 | 174.5 | -72.2 | 170.4 | 0 | 0 | 0 | 112.5 | E788 L796 | E788-L792 HydrophobicContact CG-CD1 4.15Å; E788-L792 VanDerWaalsContact O-CB 3.25Å; E788-L792 WeakPolarHBondContact O-CB 3.33Å; E788-L792 WeakPolarHBondContact O-CG 3.39Å; E788-L792 PolarHBondContact O-N 2.8Å; L792-L796 WeakPolarHBondContact O-CB 3.41Å; L792-L796 PolarHBondContact O-N 2.81Å |
| 793 | S | 77.6 | Confident | 77.1 | Confident | 73 Ų | 73 | 87.7 Ų | 87.7 | 51% | 0.51 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -71.2 | -37.3 | 172.2 | -171.6 | 0 | 0 | 0 | 0 | 111.8 | R789 N790 Q791 G797 | R789-S793 WeakPolarHBondContact O-CB 2.81Å; R789-S793 PolarHBondContact O-N 3.41Å; N790-S793 CarbonylContact O-C 3.52Å; N790-S793 WeakPolarHBondContact O-CB 3.09Å; N790-S793 PolarHBondContact O-N 3.14Å; Q791-S793 VanDerWaalsContact C-N 3.28Å; Q791-S793 PolarHBondContact O-N 3.47Å; S793-G797 PolarHBondContact O-N 2.78Å |
| 794 | A | 76.1 | Confident | 77 | Confident | 54 Ų | 54 | 86.9 Ų | 86.9 | 45% | 0.446 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -70.5 | -40.9 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | N790 Q791 G797 A798 | N790-A794 WeakPolarHBondContact O-CB 2.86Å; N790-A794 PolarHBondContact O-N 3.04Å; Q791-A794 CarbonylContact O-C 3.59Å; Q791-A794 PolarHBondContact O-N 2.79Å; Q791-A794 VanDerWaalsContact O-N 3.16Å; A794-G797 CarbonylContact O-C 3.53Å; A794-G797 PolarHBondContact O-N 3.37Å; A794-A798 WeakPolarHBondContact O-CB 3.37Å; A794-A798 PolarHBondContact O-N 2.78Å |
| 795 | E | 78.6 | Confident | 77 | Confident | 73 Ų | 73 | 87.2 Ų | 87.2 | 34% | 0.341 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -64 | -44.1 | 171.1 | -74.9 | -178.8 | -152.3 | 0 | 0 | 110.7 | Q791 G797 A798 A799 R1768 | Q791-E795 PolarHBondContact NE2-OE1 2.66Å; Q791-E795 WeakPolarHBondContact O-CB 3.36Å; Q791-E795 WeakPolarHBondContact O-CG 3.27Å; Q791-E795 PolarHBondContact O-N 3.4Å; E795-G797 VanDerWaalsContact C-N 3.32Å; E795-G797 PolarHBondContact O-N 2.95Å; E795-A798 PolarHBondContact O-N 3.27Å; E795-A799 VanDerWaalsContact O-CB 3.28Å; E795-A799 WeakPolarHBondContact O-CB 3.47Å; E795-A799 PolarHBondContact O-N 2.93Å; E795-R1768 IonicContact OE2-NH2 2.68Å |
| 796 | L | 72.8 | Confident | 77.4 | Confident | 96 Ų | 96 | 88.3 Ų | 88.3 | 50% | 0.503 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.3 | -35.2 | 172.8 | -179 | 63.7 | 0 | 0 | 0 | 112 | L792 K800 | L792-L796 WeakPolarHBondContact O-CB 3.41Å; L792-L796 PolarHBondContact O-N 2.81Å; L796-K800 HydrophobicContact CG-CD 4.32Å; L796-K800 WeakPolarHBondContact O-CB 3.22Å; L796-K800 WeakPolarHBondContact O-CG 3.49Å; L796-K800 PolarHBondContact O-N 3.35Å |
| 797 | G | 80.7 | Confident | 77.4 | Confident | 24 Ų | 24 | 92.6 Ų | 92.6 | 25% | 0.247 | 48% | 0.482 | C | S | . | . | H | α-helix | trans | -74.2 | -29.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | S793 A794 E795 R801 | S793-G797 PolarHBondContact O-N 2.78Å; A794-G797 CarbonylContact O-C 3.53Å; A794-G797 PolarHBondContact O-N 3.37Å; E795-G797 VanDerWaalsContact C-N 3.32Å; E795-G797 PolarHBondContact O-N 2.95Å; G797-R801 WeakPolarHBondContact O-CB 3.1Å; G797-R801 VanDerWaalsContact O-CG 3.31Å; G797-R801 WeakPolarHBondContact O-CG 3.43Å; G797-R801 PolarHBondContact O-N 2.97Å; G797-R801 VanDerWaalsContact O-N 3.17Å; G797-R801 PolarHBondContact O-NE 3.43Å |
| 798 | A | 74.1 | Confident | 77.1 | Confident | 42 Ų | 42 | 92.5 Ų | 92.5 | 35% | 0.347 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -71.7 | -51.5 | 169.4 | 0 | 0 | 0 | 0 | 0 | 110.3 | A794 E795 K800 R801 E802 | A794-A798 WeakPolarHBondContact O-CB 3.37Å; A794-A798 PolarHBondContact O-N 2.78Å; E795-A798 PolarHBondContact O-N 3.27Å; A798-K800 VanDerWaalsContact C-N 3.3Å; A798-K800 PolarHBondContact O-N 2.84Å; A798-R801 CarbonylContact O-C 3.55Å; A798-R801 WeakPolarHBondContact O-CA 3.2Å; A798-R801 WeakPolarHBondContact O-CB 3.14Å; A798-R801 PolarHBondContact O-N 2.9Å; A798-E802 WeakPolarHBondContact O-CB 3.47Å; A798-E802 PolarHBondContact O-N 3.22Å |
| 799 | A | 69.8 | Low | 76.9 | Confident | 37 Ų | 37 | 89.9 Ų | 89.9 | 31% | 0.306 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -60.4 | -36.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | E795 E802 I803 | E795-A799 VanDerWaalsContact O-CB 3.28Å; E795-A799 WeakPolarHBondContact O-CB 3.47Å; E795-A799 PolarHBondContact O-N 2.93Å; A799-E802 PolarHBondContact O-N 2.8Å; A799-I803 VanDerWaalsContact O-CB 3.28Å; A799-I803 WeakPolarHBondContact O-CB 3.43Å; A799-I803 WeakPolarHBondContact O-CD1 3.26Å; A799-I803 WeakPolarHBondContact O-CG1 3.48Å; A799-I803 PolarHBondContact O-N 2.78Å |
| 800 | K | 80.2 | Confident | 76.6 | Confident | 127 Ų | 127 | 85.9 Ų | 85.9 | 55% | 0.552 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -64.4 | -43.5 | 170.7 | -82.2 | 173.4 | 179.5 | 178.4 | 0 | 112.1 | L796 A798 E802 I803 T804 | L796-K800 HydrophobicContact CG-CD 4.32Å; L796-K800 WeakPolarHBondContact O-CB 3.22Å; L796-K800 WeakPolarHBondContact O-CG 3.49Å; L796-K800 PolarHBondContact O-N 3.35Å; A798-K800 VanDerWaalsContact C-N 3.3Å; A798-K800 PolarHBondContact O-N 2.84Å; K800-E802 VanDerWaalsContact C-N 3.35Å; K800-I803 PolarHBondContact O-N 2.82Å; K800-T804 WeakPolarHBondContact O-CG2 3.18Å; K800-T804 PolarHBondContact O-N 3.43Å; K800-T804 PolarHBondContact O-OG1 2.66Å; K800-T804 VanDerWaalsContact O-OG1 3.13Å |
| 801 | R | 76.5 | Confident | 76.2 | Confident | 169 Ų | 169 | 85.4 Ų | 85.4 | 64% | 0.638 | 47% | 0.473 | S | S | * | . | H | α-helix | trans | -65.7 | -36.8 | 175.7 | -78.5 | 176.8 | -66.4 | 152.7 | -0.5 | 112.4 | G797 A798 T804 A805 | G797-R801 WeakPolarHBondContact O-CB 3.1Å; G797-R801 VanDerWaalsContact O-CG 3.31Å; G797-R801 WeakPolarHBondContact O-CG 3.43Å; G797-R801 PolarHBondContact O-N 2.97Å; G797-R801 VanDerWaalsContact O-N 3.17Å; G797-R801 PolarHBondContact O-NE 3.43Å; A798-R801 CarbonylContact O-C 3.55Å; A798-R801 WeakPolarHBondContact O-CA 3.2Å; A798-R801 WeakPolarHBondContact O-CB 3.14Å; A798-R801 PolarHBondContact O-N 2.9Å; R801-T804 VanDerWaalsContact CA-OG1 3.31Å; R801-T804 WeakPolarHBondContact CA-OG1 3.47Å; R801-T804 PolarHBondContact O-N 2.9Å; R801-T804 PolarHBondContact O-OG1 3.11Å; R801-A805 VanDerWaalsContact O-CB 3.25Å; R801-A805 WeakPolarHBondContact O-CB 3.49Å; R801-A805 PolarHBondContact O-N 3.23Å |
| 802 | E | 78.8 | Confident | 76.1 | Confident | 127 Ų | 127 | 85.6 Ų | 85.6 | 59% | 0.593 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -67.9 | -43.9 | 173.3 | -173 | 171.7 | -157.1 | 0 | 0 | 110.9 | A798 A799 K800 T804 A805 L806 | A798-E802 WeakPolarHBondContact O-CB 3.47Å; A798-E802 PolarHBondContact O-N 3.22Å; A799-E802 PolarHBondContact O-N 2.8Å; K800-E802 VanDerWaalsContact C-N 3.35Å; E802-T804 PolarHBondContact O-N 3.16Å; E802-A805 PolarHBondContact O-N 2.89Å; E802-L806 HydrophobicContact CG-CD1 4.05Å; E802-L806 HydrophobicContact CG-CG 4.47Å; E802-L806 VanDerWaalsContact O-CB 3.27Å; E802-L806 WeakPolarHBondContact O-CB 3.41Å; E802-L806 VanDerWaalsContact O-CG 3.24Å; E802-L806 WeakPolarHBondContact O-CG 3.49Å; E802-L806 PolarHBondContact O-N 2.93Å |
| 803 | I | 73.7 | Confident | 76.4 | Confident | 91 Ų | 91 | 86.3 Ų | 86.3 | 47% | 0.467 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -63.2 | -37.4 | 173.2 | -72.3 | 164.3 | 0 | 0 | 0 | 111.6 | A799 K800 K807 | A799-I803 VanDerWaalsContact O-CB 3.28Å; A799-I803 WeakPolarHBondContact O-CB 3.43Å; A799-I803 WeakPolarHBondContact O-CD1 3.26Å; A799-I803 WeakPolarHBondContact O-CG1 3.48Å; A799-I803 PolarHBondContact O-N 2.78Å; K800-I803 PolarHBondContact O-N 2.82Å; I803-K807 HydrophobicContact CG2-CD 4.3Å; I803-K807 VanDerWaalsContact O-CB 3.31Å; I803-K807 WeakPolarHBondContact O-CB 3.27Å; I803-K807 VanDerWaalsContact O-CG 3.25Å; I803-K807 WeakPolarHBondContact O-CG 3.18Å; I803-K807 PolarHBondContact O-N 3.44Å |
| 804 | T | 78.6 | Confident | 76.4 | Confident | 75 Ų | 75 | 86.1 Ų | 86.1 | 46% | 0.46 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -71.7 | -39.4 | 173.5 | 50.3 | 0 | 0 | 0 | 0 | 112 | K800 R801 E802 L806 K807 E808 | K800-T804 WeakPolarHBondContact O-CG2 3.18Å; K800-T804 PolarHBondContact O-N 3.43Å; K800-T804 PolarHBondContact O-OG1 2.66Å; K800-T804 VanDerWaalsContact O-OG1 3.13Å; R801-T804 VanDerWaalsContact CA-OG1 3.31Å; R801-T804 WeakPolarHBondContact CA-OG1 3.47Å; R801-T804 PolarHBondContact O-N 2.9Å; R801-T804 PolarHBondContact O-OG1 3.11Å; E802-T804 PolarHBondContact O-N 3.16Å; T804-L806 VanDerWaalsContact C-N 3.35Å; T804-L806 PolarHBondContact O-N 3.25Å; T804-K807 PolarHBondContact O-N 3.5Å; T804-E808 WeakPolarHBondContact O-CB 3.44Å; T804-E808 PolarHBondContact O-N 2.98Å |
| 805 | A | 76.3 | Confident | 76.6 | Confident | 56 Ų | 56 | 87.6 Ų | 87.6 | 46% | 0.463 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -65 | -37.8 | 174.7 | 0 | 0 | 0 | 0 | 0 | 112 | R801 E802 A809 | R801-A805 VanDerWaalsContact O-CB 3.25Å; R801-A805 WeakPolarHBondContact O-CB 3.49Å; R801-A805 PolarHBondContact O-N 3.23Å; E802-A805 PolarHBondContact O-N 2.89Å; A805-A809 VanDerWaalsContact O-CB 3.24Å; A805-A809 WeakPolarHBondContact O-CB 3.21Å; A805-A809 PolarHBondContact O-N 3.18Å |
| 806 | L | 75 | Confident | 76.4 | Confident | 98 Ų | 98 | 90 Ų | 90 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -70.4 | -37.5 | 172.8 | -72.8 | 170.6 | 0 | 0 | 0 | 111.8 | E802 T804 A809 C810 | E802-L806 HydrophobicContact CG-CD1 4.05Å; E802-L806 HydrophobicContact CG-CG 4.47Å; E802-L806 VanDerWaalsContact O-CB 3.27Å; E802-L806 WeakPolarHBondContact O-CB 3.41Å; E802-L806 VanDerWaalsContact O-CG 3.24Å; E802-L806 WeakPolarHBondContact O-CG 3.49Å; E802-L806 PolarHBondContact O-N 2.93Å; T804-L806 VanDerWaalsContact C-N 3.35Å; T804-L806 PolarHBondContact O-N 3.25Å; L806-A809 PolarHBondContact O-N 2.74Å; L806-C810 WeakPolarHBondContact O-CB 3.16Å; L806-C810 PolarHBondContact O-N 2.92Å; L806-C810 PolarHBondContact O-SG 3.07Å |
| 807 | K | 79.5 | Confident | 76.4 | Confident | 148 Ų | 148 | 89.9 Ų | 89.9 | 64% | 0.643 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -65.4 | -41.2 | 171.5 | -80.4 | 178.5 | 176.9 | -171.6 | 0 | 112.1 | I803 T804 C810 S811 | I803-K807 HydrophobicContact CG2-CD 4.3Å; I803-K807 VanDerWaalsContact O-CB 3.31Å; I803-K807 WeakPolarHBondContact O-CB 3.27Å; I803-K807 VanDerWaalsContact O-CG 3.25Å; I803-K807 WeakPolarHBondContact O-CG 3.18Å; I803-K807 PolarHBondContact O-N 3.44Å; T804-K807 PolarHBondContact O-N 3.5Å; K807-C810 PolarHBondContact O-N 3.36Å; K807-S811 WeakPolarHBondContact O-CB 3.45Å; K807-S811 PolarHBondContact O-N 2.78Å |
| 808 | E | 76.5 | Confident | 76.3 | Confident | 105 Ų | 105 | 94.2 Ų | 94.2 | 49% | 0.491 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.6 | -40.4 | 171.8 | -83.6 | -171.2 | -133.4 | 0 | 0 | 111.8 | T804 S811 K812 | T804-E808 WeakPolarHBondContact O-CB 3.44Å; T804-E808 PolarHBondContact O-N 2.98Å; E808-S811 PolarHBondContact O-N 2.81Å; E808-K812 VanDerWaalsContact O-CB 3.28Å; E808-K812 WeakPolarHBondContact O-CB 3.12Å; E808-K812 WeakPolarHBondContact O-CD 3.45Å; E808-K812 WeakPolarHBondContact O-CG 3.12Å; E808-K812 PolarHBondContact O-N 3.38Å; E808-K812 IonicContact OE2-NZ 3.36Å; E808-K812 PolarHBondContact OE2-NZ 2.79Å |
| 809 | A | 74.6 | Confident | 76.6 | Confident | 51 Ų | 51 | 94.8 Ų | 94.8 | 42% | 0.421 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.4 | -41.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.4 | A805 L806 K812 Q813 | A805-A809 VanDerWaalsContact O-CB 3.24Å; A805-A809 WeakPolarHBondContact O-CB 3.21Å; A805-A809 PolarHBondContact O-N 3.18Å; L806-A809 PolarHBondContact O-N 2.74Å; A809-K812 PolarHBondContact O-N 3.49Å; A809-Q813 VanDerWaalsContact O-CB 3.29Å; A809-Q813 WeakPolarHBondContact O-CB 3.21Å; A809-Q813 PolarHBondContact O-N 2.8Å |
| 810 | C | 72.6 | Confident | 76.8 | Confident | 80 Ų | 80 | 97.9 Ų | 97.9 | 54% | 0.541 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 172.2 | -72 | 0 | 0 | 0 | 0 | 111.8 | L806 K807 Q813 T814 | L806-C810 WeakPolarHBondContact O-CB 3.16Å; L806-C810 PolarHBondContact O-N 2.92Å; L806-C810 PolarHBondContact O-SG 3.07Å; K807-C810 PolarHBondContact O-N 3.36Å; C810-Q813 PolarHBondContact O-N 3.35Å; C810-T814 PolarHBondContact O-N 3.27Å; C810-T814 PolarHBondContact O-OG1 3.5Å |
| 811 | S | 73.9 | Confident | 76.9 | Confident | 59 Ų | 59 | 96.5 Ų | 96.5 | 41% | 0.413 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -59.6 | -54.3 | 173.4 | -170.2 | 0 | 0 | 0 | 0 | 110.1 | K807 E808 Q813 T814 D815 | K807-S811 WeakPolarHBondContact O-CB 3.45Å; K807-S811 PolarHBondContact O-N 2.78Å; E808-S811 PolarHBondContact O-N 2.81Å; S811-Q813 PolarHBondContact O-N 2.79Å; S811-T814 WeakPolarHBondContact CA-OG1 3.01Å; S811-T814 CarbonylContact O-C 3.48Å; S811-T814 WeakPolarHBondContact O-CA 3.08Å; S811-T814 PolarHBondContact O-N 2.75Å; S811-T814 PolarHBondContact O-OG1 2.83Å; S811-D815 VanDerWaalsContact C-OD2 3.25Å; S811-D815 WeakPolarHBondContact O-CB 3.45Å; S811-D815 PolarHBondContact O-N 3.26Å; S811-D815 PolarHBondContact OG-OD2 2.84Å |
| 812 | K | 78.9 | Confident | 77 | Confident | 113 Ų | 113 | 91.5 Ų | 91.5 | 49% | 0.491 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -59.4 | -31.7 | 177.8 | -70.5 | 161.2 | -169.2 | 164.8 | 0 | 111.9 | E808 A809 L816 | E808-K812 VanDerWaalsContact O-CB 3.28Å; E808-K812 WeakPolarHBondContact O-CB 3.12Å; E808-K812 WeakPolarHBondContact O-CD 3.45Å; E808-K812 WeakPolarHBondContact O-CG 3.12Å; E808-K812 PolarHBondContact O-N 3.38Å; E808-K812 IonicContact OE2-NZ 3.36Å; E808-K812 PolarHBondContact OE2-NZ 2.79Å; A809-K812 PolarHBondContact O-N 3.49Å; K812-L816 VanDerWaalsContact O-CB 3.27Å; K812-L816 WeakPolarHBondContact O-CB 3.34Å; K812-L816 WeakPolarHBondContact O-CD1 3.32Å; K812-L816 WeakPolarHBondContact O-CG 3.39Å; K812-L816 PolarHBondContact O-N 3.46Å |
| 813 | Q | 79.1 | Confident | 76.7 | Confident | 115 Ų | 115 | 87.8 Ų | 87.8 | 54% | 0.537 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.2 | -43.9 | 172 | -179 | 166.8 | -27.5 | 0 | 0 | 111.7 | A809 C810 S811 D815 L816 E817 | A809-Q813 VanDerWaalsContact O-CB 3.29Å; A809-Q813 WeakPolarHBondContact O-CB 3.21Å; A809-Q813 PolarHBondContact O-N 2.8Å; C810-Q813 PolarHBondContact O-N 3.35Å; S811-Q813 PolarHBondContact O-N 2.79Å; Q813-D815 VanDerWaalsContact C-N 3.29Å; Q813-D815 PolarHBondContact O-N 2.85Å; Q813-L816 CarbonylContact O-C 3.51Å; Q813-L816 PolarHBondContact O-N 3.45Å; Q813-E817 HydrophobicContact CG-CG 4.31Å; Q813-E817 WeakPolarHBondContact CG-OE1 3.48Å; Q813-E817 PolarHBondContact NE2-OE1 2.94Å; Q813-E817 WeakPolarHBondContact O-CB 3.3Å; Q813-E817 VanDerWaalsContact O-CG 3.31Å; Q813-E817 WeakPolarHBondContact O-CG 3.19Å; Q813-E817 PolarHBondContact O-N 2.94Å |
| 814 | T | 77.8 | Confident | 76.8 | Confident | 68 Ų | 68 | 89 Ų | 89 | 42% | 0.417 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.9 | -34.9 | 172.9 | 49.7 | 0 | 0 | 0 | 0 | 112.2 | C810 S811 E817 I818 | C810-T814 PolarHBondContact O-N 3.27Å; C810-T814 PolarHBondContact O-OG1 3.5Å; S811-T814 WeakPolarHBondContact CA-OG1 3.01Å; S811-T814 CarbonylContact O-C 3.48Å; S811-T814 WeakPolarHBondContact O-CA 3.08Å; S811-T814 PolarHBondContact O-N 2.75Å; S811-T814 PolarHBondContact O-OG1 2.83Å; T814-E817 PolarHBondContact O-N 3.13Å; T814-I818 WeakPolarHBondContact O-CB 3.39Å; T814-I818 WeakPolarHBondContact O-CD1 3.32Å; T814-I818 WeakPolarHBondContact O-CG1 3.43Å; T814-I818 PolarHBondContact O-N 2.86Å |
| 815 | D | 80.2 | Confident | 76.8 | Confident | 85 Ų | 85 | 87.1 Ų | 87.1 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.1 | -40.5 | 173.8 | -62.1 | -41.8 | 0 | 0 | 0 | 110.7 | S811 Q813 A819 | S811-D815 VanDerWaalsContact C-OD2 3.25Å; S811-D815 WeakPolarHBondContact O-CB 3.45Å; S811-D815 PolarHBondContact O-N 3.26Å; S811-D815 PolarHBondContact OG-OD2 2.84Å; Q813-D815 VanDerWaalsContact C-N 3.29Å; Q813-D815 PolarHBondContact O-N 2.85Å; D815-A819 WeakPolarHBondContact O-CB 3.09Å; D815-A819 PolarHBondContact O-N 2.67Å |
| 816 | L | 74.6 | Confident | 76.9 | Confident | 124 Ų | 124 | 88.1 Ų | 88.1 | 65% | 0.649 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -70.5 | -34.2 | 173.7 | -76.9 | 168.7 | 0 | 0 | 0 | 112.9 | K812 Q813 A819 L820 | K812-L816 VanDerWaalsContact O-CB 3.27Å; K812-L816 WeakPolarHBondContact O-CB 3.34Å; K812-L816 WeakPolarHBondContact O-CD1 3.32Å; K812-L816 WeakPolarHBondContact O-CG 3.39Å; K812-L816 PolarHBondContact O-N 3.46Å; Q813-L816 CarbonylContact O-C 3.51Å; Q813-L816 PolarHBondContact O-N 3.45Å; L816-A819 PolarHBondContact O-N 3.43Å; L816-L820 VanDerWaalsContact O-CB 3.28Å; L816-L820 WeakPolarHBondContact O-CB 3.5Å; L816-L820 PolarHBondContact O-N 2.81Å |
| 817 | E | 73.3 | Confident | 76.7 | Confident | 94 Ų | 94 | 87.1 Ų | 87.1 | 44% | 0.439 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -70.2 | -42.1 | 174.3 | -75.4 | 169.9 | -171.3 | 0 | 0 | 110.7 | Q813 T814 A819 L820 V821 | Q813-E817 HydrophobicContact CG-CG 4.31Å; Q813-E817 WeakPolarHBondContact CG-OE1 3.48Å; Q813-E817 PolarHBondContact NE2-OE1 2.94Å; Q813-E817 WeakPolarHBondContact O-CB 3.3Å; Q813-E817 VanDerWaalsContact O-CG 3.31Å; Q813-E817 WeakPolarHBondContact O-CG 3.19Å; Q813-E817 PolarHBondContact O-N 2.94Å; T814-E817 PolarHBondContact O-N 3.13Å; E817-A819 VanDerWaalsContact C-N 3.35Å; E817-L820 PolarHBondContact O-N 3.43Å; E817-V821 WeakPolarHBondContact O-CB 3.06Å; E817-V821 WeakPolarHBondContact O-CG2 3.22Å; E817-V821 PolarHBondContact O-N 3.44Å |
| 818 | I | 77.7 | Confident | 76.6 | Confident | 115 Ų | 115 | 82.5 Ų | 82.5 | 59% | 0.59 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -62.2 | -42.4 | 170.5 | -70.2 | 163.6 | 0 | 0 | 0 | 110.5 | T814 S822 | T814-I818 WeakPolarHBondContact O-CB 3.39Å; T814-I818 WeakPolarHBondContact O-CD1 3.32Å; T814-I818 WeakPolarHBondContact O-CG1 3.43Å; T814-I818 PolarHBondContact O-N 2.86Å; I818-S822 WeakPolarHBondContact O-CB 3.3Å; I818-S822 PolarHBondContact O-N 3.44Å |
| 819 | A | 80.6 | Confident | 76.6 | Confident | 53 Ų | 53 | 82.5 Ų | 82.5 | 44% | 0.438 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.7 | -34.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | D815 L816 E817 A823 | D815-A819 WeakPolarHBondContact O-CB 3.09Å; D815-A819 PolarHBondContact O-N 2.67Å; L816-A819 PolarHBondContact O-N 3.43Å; E817-A819 VanDerWaalsContact C-N 3.35Å; A819-A823 VanDerWaalsContact O-CB 3.27Å; A819-A823 WeakPolarHBondContact O-CB 3.41Å; A819-A823 PolarHBondContact O-N 2.88Å |
| 820 | L | 75.2 | Confident | 76.6 | Confident | 102 Ų | 102 | 84.7 Ų | 84.7 | 53% | 0.534 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -68.2 | -49.8 | 174.9 | -166.3 | 81.2 | 0 | 0 | 0 | 110.6 | L816 E817 S822 A823 E824 | L816-L820 VanDerWaalsContact O-CB 3.28Å; L816-L820 WeakPolarHBondContact O-CB 3.5Å; L816-L820 PolarHBondContact O-N 2.81Å; E817-L820 PolarHBondContact O-N 3.43Å; L820-S822 VanDerWaalsContact C-N 3.25Å; L820-S822 PolarHBondContact O-N 3.25Å; L820-A823 CarbonylContact O-C 3.59Å; L820-A823 WeakPolarHBondContact O-CA 3.47Å; L820-A823 WeakPolarHBondContact O-CB 3.2Å; L820-A823 PolarHBondContact O-N 3.19Å; L820-E824 WeakPolarHBondContact O-CB 3.35Å; L820-E824 WeakPolarHBondContact O-CG 3.28Å; L820-E824 PolarHBondContact O-N 2.97Å |
| 821 | V | 81.8 | Confident | 76.8 | Confident | 98 Ų | 98 | 87.6 Ų | 87.6 | 59% | 0.594 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -61 | -35.8 | 175.6 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | E817 G825 | E817-V821 WeakPolarHBondContact O-CB 3.06Å; E817-V821 WeakPolarHBondContact O-CG2 3.22Å; E817-V821 PolarHBondContact O-N 3.44Å; V821-G825 PolarHBondContact O-N 2.9Å |
| 822 | S | 77.8 | Confident | 76.8 | Confident | 65 Ų | 65 | 88.8 Ų | 88.8 | 46% | 0.455 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.4 | -41.5 | 171.6 | -176.7 | 0 | 0 | 0 | 0 | 112.1 | I818 L820 G825 N826 | I818-S822 WeakPolarHBondContact O-CB 3.3Å; I818-S822 PolarHBondContact O-N 3.44Å; L820-S822 VanDerWaalsContact C-N 3.25Å; L820-S822 PolarHBondContact O-N 3.25Å; S822-G825 PolarHBondContact O-N 2.85Å; S822-N826 WeakPolarHBondContact O-CB 3.32Å; S822-N826 VanDerWaalsContact O-CG 3.27Å; S822-N826 PolarHBondContact O-N 3.19Å; S822-N826 PolarHBondContact O-ND2 3.45Å |
| 823 | A | 74 | Confident | 76.9 | Confident | 48 Ų | 48 | 87.7 Ų | 87.7 | 40% | 0.397 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.6 | -38.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | A819 L820 N826 C827 | A819-A823 VanDerWaalsContact O-CB 3.27Å; A819-A823 WeakPolarHBondContact O-CB 3.41Å; A819-A823 PolarHBondContact O-N 2.88Å; L820-A823 CarbonylContact O-C 3.59Å; L820-A823 WeakPolarHBondContact O-CA 3.47Å; L820-A823 WeakPolarHBondContact O-CB 3.2Å; L820-A823 PolarHBondContact O-N 3.19Å; A823-N826 PolarHBondContact O-N 2.85Å; A823-C827 WeakPolarHBondContact O-CB 3.13Å; A823-C827 PolarHBondContact O-N 2.67Å; A823-C827 PolarHBondContact O-SG 3.04Å |
| 824 | E | 74.5 | Confident | 76.8 | Confident | 117 Ų | 117 | 87.2 Ų | 87.2 | 55% | 0.547 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -43 | 172.7 | -72.2 | -177.7 | 163.7 | 0 | 0 | 111.3 | L820 N826 C827 A828 | L820-E824 WeakPolarHBondContact O-CB 3.35Å; L820-E824 WeakPolarHBondContact O-CG 3.28Å; L820-E824 PolarHBondContact O-N 2.97Å; E824-N826 VanDerWaalsContact C-N 3.34Å; E824-N826 PolarHBondContact O-N 3.26Å; E824-C827 CarbonylContact O-C 3.6Å; E824-C827 WeakPolarHBondContact O-CB 3.26Å; E824-C827 PolarHBondContact O-N 3.49Å; E824-A828 WeakPolarHBondContact O-CB 3.2Å; E824-A828 PolarHBondContact O-N 2.76Å |
| 825 | G | 79 | Confident | 76.7 | Confident | 35 Ų | 35 | 86.8 Ų | 86.8 | 36% | 0.361 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -39.6 | 172.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | V821 S822 A828 R829 | V821-G825 PolarHBondContact O-N 2.9Å; S822-G825 PolarHBondContact O-N 2.85Å; G825-A828 PolarHBondContact O-N 2.82Å; G825-R829 WeakPolarHBondContact O-CG 3.21Å; G825-R829 PolarHBondContact O-N 3.43Å |
| 826 | N | 78.7 | Confident | 76.6 | Confident | 77 Ų | 77 | 86.7 Ų | 86.7 | 41% | 0.412 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.5 | -38 | 173 | -76.1 | -47.7 | 0 | 0 | 0 | 112.2 | S822 A823 E824 A828 R829 L830 | S822-N826 WeakPolarHBondContact O-CB 3.32Å; S822-N826 VanDerWaalsContact O-CG 3.27Å; S822-N826 PolarHBondContact O-N 3.19Å; S822-N826 PolarHBondContact O-ND2 3.45Å; A823-N826 PolarHBondContact O-N 2.85Å; E824-N826 VanDerWaalsContact C-N 3.34Å; E824-N826 PolarHBondContact O-N 3.26Å; N826-A828 VanDerWaalsContact C-N 3.31Å; N826-A828 PolarHBondContact O-N 2.97Å; N826-R829 PolarHBondContact O-N 2.85Å; N826-L830 WeakPolarHBondContact O-CB 3.2Å; N826-L830 VanDerWaalsContact O-CG 3.28Å; N826-L830 WeakPolarHBondContact O-CG 3.49Å; N826-L830 PolarHBondContact O-N 3.09Å |
| 827 | C | 71.2 | Confident | 76.7 | Confident | 78 Ų | 78 | 85.3 Ų | 85.3 | 53% | 0.527 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -62 | -40.3 | 170.7 | -70.7 | 0 | 0 | 0 | 0 | 111 | A823 E824 L830 Q831 | A823-C827 WeakPolarHBondContact O-CB 3.13Å; A823-C827 PolarHBondContact O-N 2.67Å; A823-C827 PolarHBondContact O-SG 3.04Å; E824-C827 CarbonylContact O-C 3.6Å; E824-C827 WeakPolarHBondContact O-CB 3.26Å; E824-C827 PolarHBondContact O-N 3.49Å; C827-L830 PolarHBondContact O-N 3.41Å; C827-Q831 WeakPolarHBondContact O-CB 3.1Å; C827-Q831 PolarHBondContact O-N 2.85Å |
| 828 | A | 77 | Confident | 77.1 | Confident | 50 Ų | 50 | 88.1 Ų | 88.1 | 41% | 0.413 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.3 | -44.9 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111.9 | E824 G825 N826 L830 Q831 T832 | E824-A828 WeakPolarHBondContact O-CB 3.2Å; E824-A828 PolarHBondContact O-N 2.76Å; G825-A828 PolarHBondContact O-N 2.82Å; N826-A828 VanDerWaalsContact C-N 3.31Å; N826-A828 PolarHBondContact O-N 2.97Å; A828-L830 PolarHBondContact O-N 2.75Å; A828-Q831 PolarHBondContact O-N 2.64Å; A828-T832 PolarHBondContact O-N 3.19Å; A828-T832 PolarHBondContact O-OG1 2.86Å |
| 829 | R | 75.6 | Confident | 77.2 | Confident | 105 Ų | 105 | 84.7 Ų | 84.7 | 40% | 0.396 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -61.3 | -41.1 | 173.3 | -71.8 | -172 | 84.1 | -156.6 | 3.6 | 112.2 | G825 N826 Q831 T832 Q833 D925 S926 | G825-R829 WeakPolarHBondContact O-CG 3.21Å; G825-R829 PolarHBondContact O-N 3.43Å; N826-R829 PolarHBondContact O-N 2.85Å; R829-Q831 VanDerWaalsContact C-N 3.34Å; R829-T832 PolarHBondContact O-OG1 3.12Å; R829-Q833 WeakPolarHBondContact O-CB 3.39Å; R829-Q833 VanDerWaalsContact O-CG 3.25Å; R829-Q833 WeakPolarHBondContact O-CG 3.16Å; R829-Q833 PolarHBondContact O-N 2.91Å; R829-D925 PolarHBondContact NH2-O 3.47Å; R829-S926 PolarHBondContact NH1-O 3.33Å; R829-S926 PolarHBondContact NH2-O 2.85Å |
| 830 | L | 75.1 | Confident | 77.2 | Confident | 97 Ų | 97 | 86.3 Ų | 86.3 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -68.6 | -34.2 | 175.1 | -73.4 | 168.3 | 0 | 0 | 0 | 111.8 | N826 C827 A828 L834 | N826-L830 WeakPolarHBondContact O-CB 3.2Å; N826-L830 VanDerWaalsContact O-CG 3.28Å; N826-L830 WeakPolarHBondContact O-CG 3.49Å; N826-L830 PolarHBondContact O-N 3.09Å; C827-L830 PolarHBondContact O-N 3.41Å; A828-L830 PolarHBondContact O-N 2.75Å; L830-L834 VanDerWaalsContact O-CB 3.3Å; L830-L834 WeakPolarHBondContact O-CB 3.31Å; L830-L834 VanDerWaalsContact O-CG 3.23Å; L830-L834 WeakPolarHBondContact O-CG 3.31Å; L830-L834 PolarHBondContact O-N 3.43Å |
| 831 | Q | 76.4 | Confident | 77.2 | Confident | 142 Ų | 142 | 84.9 Ų | 84.9 | 66% | 0.664 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -74.1 | -33.2 | 177.6 | -171.6 | 169.5 | -0.7 | 0 | 0 | 112.3 | C827 A828 R829 S835 | C827-Q831 WeakPolarHBondContact O-CB 3.1Å; C827-Q831 PolarHBondContact O-N 2.85Å; A828-Q831 PolarHBondContact O-N 2.64Å; R829-Q831 VanDerWaalsContact C-N 3.34Å; Q831-S835 PolarHBondContact O-N 3.3Å |
| 832 | T | 73.8 | Confident | 77.1 | Confident | 83 Ų | 83 | 85.8 Ų | 85.8 | 51% | 0.509 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.2 | -38 | 169.4 | 56 | 0 | 0 | 0 | 0 | 112 | A828 R829 L834 S835 T836 | A828-T832 PolarHBondContact O-N 3.19Å; A828-T832 PolarHBondContact O-OG1 2.86Å; R829-T832 PolarHBondContact O-OG1 3.12Å; T832-L834 VanDerWaalsContact C-N 3.33Å; T832-L834 PolarHBondContact O-N 3.18Å; T832-S835 WeakPolarHBondContact CA-OG 3.39Å; T832-S835 PolarHBondContact O-N 3.43Å; T832-S835 VanDerWaalsContact O-N 3.13Å; T832-S835 PolarHBondContact O-OG 3.44Å; T832-T836 PolarHBondContact O-N 2.78Å; T832-T836 PolarHBondContact O-OG1 2.68Å |
| 833 | Q | 81.4 | Confident | 77.1 | Confident | 91 Ų | 91 | 87.3 Ų | 87.3 | 43% | 0.425 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.3 | -40.3 | 170.1 | -76.1 | 174.4 | -6.4 | 0 | 0 | 111.9 | R829 S835 T836 I837 | R829-Q833 WeakPolarHBondContact O-CB 3.39Å; R829-Q833 VanDerWaalsContact O-CG 3.25Å; R829-Q833 WeakPolarHBondContact O-CG 3.16Å; R829-Q833 PolarHBondContact O-N 2.91Å; Q833-S835 VanDerWaalsContact C-N 3.32Å; Q833-S835 PolarHBondContact O-N 2.81Å; Q833-T836 PolarHBondContact O-OG1 3.24Å; Q833-I837 VanDerWaalsContact O-CB 3.29Å; Q833-I837 WeakPolarHBondContact O-CB 3.32Å; Q833-I837 WeakPolarHBondContact O-CD1 3.24Å; Q833-I837 WeakPolarHBondContact O-CG1 3.22Å; Q833-I837 PolarHBondContact O-N 3.18Å |
| 834 | L | 77.2 | Confident | 77.2 | Confident | 105 Ų | 105 | 88.7 Ų | 88.7 | 55% | 0.55 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -70.5 | -24.5 | 173.9 | -75.1 | 170 | 0 | 0 | 0 | 113.1 | L830 T832 R838 | L830-L834 VanDerWaalsContact O-CB 3.3Å; L830-L834 WeakPolarHBondContact O-CB 3.31Å; L830-L834 VanDerWaalsContact O-CG 3.23Å; L830-L834 WeakPolarHBondContact O-CG 3.31Å; L830-L834 PolarHBondContact O-N 3.43Å; T832-L834 VanDerWaalsContact C-N 3.33Å; T832-L834 PolarHBondContact O-N 3.18Å; L834-R838 WeakPolarHBondContact O-CB 3.34Å; L834-R838 PolarHBondContact O-N 3.49Å |
| 835 | S | 76.1 | Confident | 77.5 | Confident | 58 Ų | 58 | 86.7 Ų | 86.7 | 41% | 0.406 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -81 | -38 | 173.4 | 76 | 0 | 0 | 0 | 0 | 112.2 | Q831 T832 Q833 R838 A839 | Q831-S835 PolarHBondContact O-N 3.3Å; T832-S835 WeakPolarHBondContact CA-OG 3.39Å; T832-S835 PolarHBondContact O-N 3.43Å; T832-S835 VanDerWaalsContact O-N 3.13Å; T832-S835 PolarHBondContact O-OG 3.44Å; Q833-S835 VanDerWaalsContact C-N 3.32Å; Q833-S835 PolarHBondContact O-N 2.81Å; S835-R838 PolarHBondContact O-N 3.39Å; S835-A839 WeakPolarHBondContact O-CB 3.41Å; S835-A839 PolarHBondContact O-N 3.46Å |
| 836 | T | 78 | Confident | 77.6 | Confident | 83 Ų | 83 | 89.6 Ų | 89.6 | 51% | 0.509 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -69.7 | -39.5 | 172.9 | 53.9 | 0 | 0 | 0 | 0 | 111.8 | T832 Q833 R838 A839 T840 | T832-T836 PolarHBondContact O-N 2.78Å; T832-T836 PolarHBondContact O-OG1 2.68Å; Q833-T836 PolarHBondContact O-OG1 3.24Å; T836-R838 VanDerWaalsContact C-N 3.27Å; T836-R838 PolarHBondContact O-N 3.42Å; T836-A839 PolarHBondContact O-N 3.49Å; T836-T840 WeakPolarHBondContact O-CG2 3.48Å; T836-T840 PolarHBondContact O-N 3.34Å; T836-T840 PolarHBondContact O-OG1 3.25Å; T836-T840 VanDerWaalsContact O-OG1 3.11Å |
| 837 | I | 77 | Confident | 77.5 | Confident | 96 Ų | 96 | 92.1 Ų | 92.1 | 49% | 0.492 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -61.6 | -36.5 | 170.7 | -70 | 166.4 | 0 | 0 | 0 | 111.1 | Q833 T840 C841 | Q833-I837 VanDerWaalsContact O-CB 3.29Å; Q833-I837 WeakPolarHBondContact O-CB 3.32Å; Q833-I837 WeakPolarHBondContact O-CD1 3.24Å; Q833-I837 WeakPolarHBondContact O-CG1 3.22Å; Q833-I837 PolarHBondContact O-N 3.18Å; I837-T840 WeakPolarHBondContact CA-OG1 3.34Å; I837-T840 PolarHBondContact O-OG1 3.09Å; I837-T840 VanDerWaalsContact O-OG1 3.11Å; I837-C841 WeakPolarHBondContact O-CB 3.23Å; I837-C841 PolarHBondContact O-N 3.37Å; I837-C841 PolarHBondContact O-SG 2.78Å |
| 838 | R | 82 | Confident | 77.8 | Confident | 152 Ų | 152 | 94.4 Ų | 94.4 | 57% | 0.574 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.1 | -44.7 | 173.8 | -170.9 | 177.4 | -56.9 | 141.2 | 11.5 | 111.8 | L834 S835 T836 T840 C841 E842 | L834-R838 WeakPolarHBondContact O-CB 3.34Å; L834-R838 PolarHBondContact O-N 3.49Å; S835-R838 PolarHBondContact O-N 3.39Å; T836-R838 VanDerWaalsContact C-N 3.27Å; T836-R838 PolarHBondContact O-N 3.42Å; R838-T840 PolarHBondContact O-N 3.24Å; R838-C841 WeakPolarHBondContact O-CB 3.46Å; R838-C841 PolarHBondContact O-N 2.8Å; R838-E842 WeakPolarHBondContact CG-OE1 3.44Å; R838-E842 WeakPolarHBondContact O-CG 3.27Å; R838-E842 PolarHBondContact O-N 3.47Å |
| 839 | A | 79 | Confident | 78.1 | Confident | 43 Ų | 43 | 95.8 Ų | 95.8 | 36% | 0.355 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.2 | -37.3 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | S835 T836 E842 N843 | S835-A839 WeakPolarHBondContact O-CB 3.41Å; S835-A839 PolarHBondContact O-N 3.46Å; T836-A839 PolarHBondContact O-N 3.49Å; A839-E842 PolarHBondContact O-N 3.02Å; A839-N843 VanDerWaalsContact O-CB 3.27Å; A839-N843 WeakPolarHBondContact O-CB 3.49Å; A839-N843 VanDerWaalsContact O-CG 3.24Å; A839-N843 PolarHBondContact O-N 3.17Å; A839-N843 PolarHBondContact O-ND2 2.81Å |
| 840 | T | 80.1 | Confident | 78.4 | Confident | 88 Ų | 88 | 94.5 Ų | 94.5 | 54% | 0.54 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -72 | -31.6 | 173.4 | 56.1 | 0 | 0 | 0 | 0 | 112.3 | T836 I837 R838 S844 | T836-T840 WeakPolarHBondContact O-CG2 3.48Å; T836-T840 PolarHBondContact O-N 3.34Å; T836-T840 PolarHBondContact O-OG1 3.25Å; T836-T840 VanDerWaalsContact O-OG1 3.11Å; I837-T840 WeakPolarHBondContact CA-OG1 3.34Å; I837-T840 PolarHBondContact O-OG1 3.09Å; I837-T840 VanDerWaalsContact O-OG1 3.11Å; R838-T840 PolarHBondContact O-N 3.24Å; T840-S844 WeakPolarHBondContact O-CB 3.16Å; T840-S844 PolarHBondContact O-N 2.78Å |
| 841 | C | 76.5 | Confident | 78.5 | Confident | 72 Ų | 72 | 94 Ų | 94 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.6 | -44.1 | 169.3 | -69.6 | 0 | 0 | 0 | 0 | 112.2 | I837 R838 S844 V845 | I837-C841 WeakPolarHBondContact O-CB 3.23Å; I837-C841 PolarHBondContact O-N 3.37Å; I837-C841 PolarHBondContact O-SG 2.78Å; R838-C841 WeakPolarHBondContact O-CB 3.46Å; R838-C841 PolarHBondContact O-N 2.8Å; C841-S844 WeakPolarHBondContact O-CB 3.18Å; C841-S844 PolarHBondContact O-N 2.75Å; C841-V845 WeakPolarHBondContact O-CG2 3.44Å; C841-V845 PolarHBondContact O-N 3.29Å |
| 842 | E | 79.4 | Confident | 78.9 | Confident | 116 Ų | 116 | 90.9 Ų | 90.9 | 54% | 0.542 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65 | -40.8 | 176.1 | -73.8 | 171.8 | -166.7 | 0 | 0 | 111.4 | R838 A839 V845 N846 | R838-E842 WeakPolarHBondContact CG-OE1 3.44Å; R838-E842 WeakPolarHBondContact O-CG 3.27Å; R838-E842 PolarHBondContact O-N 3.47Å; A839-E842 PolarHBondContact O-N 3.02Å; E842-V845 PolarHBondContact O-N 3.44Å; E842-N846 WeakPolarHBondContact O-CB 3.24Å; E842-N846 PolarHBondContact O-N 2.77Å; E842-N846 PolarHBondContact O-ND2 3.34Å |
| 843 | N | 77.5 | Confident | 79.4 | Confident | 97 Ų | 97 | 94 Ų | 94 | 52% | 0.519 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -65.9 | -37.8 | 172 | -75.3 | -15.3 | 0 | 0 | 0 | 112.4 | A839 N846 M847 | A839-N843 VanDerWaalsContact O-CB 3.27Å; A839-N843 WeakPolarHBondContact O-CB 3.49Å; A839-N843 VanDerWaalsContact O-CG 3.24Å; A839-N843 PolarHBondContact O-N 3.17Å; A839-N843 PolarHBondContact O-ND2 2.81Å; N843-N846 PolarHBondContact O-N 3.49Å; N843-M847 WeakPolarHBondContact O-CB 3.17Å; N843-M847 VanDerWaalsContact O-CG 3.23Å; N843-M847 WeakPolarHBondContact O-CG 3.3Å; N843-M847 PolarHBondContact O-N 2.91Å |
| 844 | S | 75 | Confident | 79.3 | Confident | 77 Ų | 77 | 94.3 Ų | 94.3 | 54% | 0.538 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -62.4 | -45.4 | 174.2 | -173.2 | 0 | 0 | 0 | 0 | 111.2 | T840 C841 N846 M847 E848 | T840-S844 WeakPolarHBondContact O-CB 3.16Å; T840-S844 PolarHBondContact O-N 2.78Å; C841-S844 WeakPolarHBondContact O-CB 3.18Å; C841-S844 PolarHBondContact O-N 2.75Å; S844-N846 VanDerWaalsContact C-N 3.34Å; S844-N846 PolarHBondContact O-N 3.27Å; S844-M847 PolarHBondContact O-N 3.41Å; S844-E848 WeakPolarHBondContact O-CB 3.39Å; S844-E848 PolarHBondContact O-N 2.84Å |
| 845 | V | 82.6 | Confident | 79.6 | Confident | 76 Ų | 76 | 96.5 Ų | 96.5 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -64.1 | -36.8 | 174 | 171.2 | 0 | 0 | 0 | 0 | 111.6 | C841 E842 E848 N849 | C841-V845 WeakPolarHBondContact O-CG2 3.44Å; C841-V845 PolarHBondContact O-N 3.29Å; E842-V845 PolarHBondContact O-N 3.44Å; V845-E848 PolarHBondContact O-N 3.23Å; V845-N849 WeakPolarHBondContact O-CB 3.19Å; V845-N849 PolarHBondContact O-N 2.87Å; V845-N849 PolarHBondContact O-ND2 3.17Å |
| 846 | N | 81 | Confident | 80 | Confident | 96 Ų | 96 | 98.9 Ų | 98.9 | 51% | 0.513 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.7 | -41.4 | 173.1 | -76.3 | -27 | 0 | 0 | 0 | 112.2 | E842 N843 S844 E848 N849 E850 | E842-N846 WeakPolarHBondContact O-CB 3.24Å; E842-N846 PolarHBondContact O-N 2.77Å; E842-N846 PolarHBondContact O-ND2 3.34Å; N843-N846 PolarHBondContact O-N 3.49Å; S844-N846 VanDerWaalsContact C-N 3.34Å; S844-N846 PolarHBondContact O-N 3.27Å; N846-E848 VanDerWaalsContact C-N 3.34Å; N846-N849 PolarHBondContact O-N 3.33Å; N846-E850 PolarHBondContact O-N 3.39Å |
| 847 | M | 74.9 | Confident | 80.3 | Confident | 130 Ų | 130 | 99.3 Ų | 99.3 | 64% | 0.64 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -66.9 | -33.6 | 175 | -71.7 | -69.5 | -73.9 | 0 | 0 | 112.2 | N843 S844 E850 L851 | N843-M847 WeakPolarHBondContact O-CB 3.17Å; N843-M847 VanDerWaalsContact O-CG 3.23Å; N843-M847 WeakPolarHBondContact O-CG 3.3Å; N843-M847 PolarHBondContact O-N 2.91Å; S844-M847 PolarHBondContact O-N 3.41Å; M847-E850 PolarHBondContact O-N 3.31Å; M847-L851 WeakPolarHBondContact O-CB 3.21Å; M847-L851 WeakPolarHBondContact O-CG 3.45Å; M847-L851 PolarHBondContact O-N 2.86Å |
| 848 | E | 78.3 | Confident | 80.5 | Confident | 126 Ų | 126 | 100.5 Ų | 100.5 | 59% | 0.589 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -71 | -39.2 | 173.5 | -168.1 | 168.4 | -134.2 | 0 | 0 | 111.4 | S844 V845 N846 L851 I852 | S844-E848 WeakPolarHBondContact O-CB 3.39Å; S844-E848 PolarHBondContact O-N 2.84Å; V845-E848 PolarHBondContact O-N 3.23Å; N846-E848 VanDerWaalsContact C-N 3.34Å; E848-L851 PolarHBondContact O-N 3.12Å; E848-I852 VanDerWaalsContact O-CG1 3.31Å; E848-I852 WeakPolarHBondContact O-CG1 3.45Å; E848-I852 PolarHBondContact O-N 2.84Å |
| 849 | N | 82.5 | Confident | 80.5 | Confident | 79 Ų | 79 | 96 Ų | 96 | 42% | 0.422 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.7 | -38.5 | 170.9 | -79.2 | -62.8 | 0 | 0 | 0 | 112.6 | V845 N846 I852 R853 | V845-N849 WeakPolarHBondContact O-CB 3.19Å; V845-N849 PolarHBondContact O-N 2.87Å; V845-N849 PolarHBondContact O-ND2 3.17Å; N846-N849 PolarHBondContact O-N 3.33Å; N849-I852 WeakPolarHBondContact O-CB 3.46Å; N849-I852 PolarHBondContact O-N 2.63Å; N849-R853 WeakPolarHBondContact O-CG 3.33Å; N849-R853 PolarHBondContact O-N 2.8Å |
| 850 | E | 82.2 | Confident | 80.7 | Confident | 77 Ų | 77 | 99.7 Ų | 99.7 | 36% | 0.36 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.5 | -35.1 | 172.2 | -80.1 | -56.8 | 153.1 | 0 | 0 | 112.2 | N846 M847 I852 R853 L854 | N846-E850 PolarHBondContact O-N 3.39Å; M847-E850 PolarHBondContact O-N 3.31Å; E850-I852 PolarHBondContact O-N 2.65Å; E850-R853 VanDerWaalsContact CD-CD 3.47Å; E850-R853 CarbonylContact O-C 3.57Å; E850-R853 PolarHBondContact O-N 3.48Å; E850-R853 VanDerWaalsContact O-N 3.15Å; E850-R853 WeakPolarHBondContact OE1-CD 3.3Å; E850-R853 IonicContact OE1-CZ 2.64Å; E850-R853 IonicContact OE1-NE 3.53Å; E850-R853 IonicContact OE1-NH1 3.33Å; E850-R853 PolarHBondContact OE1-NH1 2.73Å; E850-R853 WeakPolarHBondContact OE2-CB 3.36Å; E850-R853 WeakPolarHBondContact OE2-CD 3.25Å; E850-L854 VanDerWaalsContact O-CB 3.28Å; E850-L854 WeakPolarHBondContact O-CB 3.48Å; E850-L854 VanDerWaalsContact O-CG 3.26Å; E850-L854 WeakPolarHBondContact O-CG 3.3Å; E850-L854 PolarHBondContact O-N 2.79Å |
| 851 | L | 77.7 | Confident | 80.5 | Confident | 88 Ų | 88 | 98.8 Ų | 98.8 | 46% | 0.461 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -34.5 | 168.9 | -85.6 | 164.5 | 0 | 0 | 0 | 112 | M847 E848 R855 | M847-L851 WeakPolarHBondContact O-CB 3.21Å; M847-L851 WeakPolarHBondContact O-CG 3.45Å; M847-L851 PolarHBondContact O-N 2.86Å; E848-L851 PolarHBondContact O-N 3.12Å; L851-R855 WeakPolarHBondContact O-CB 3.35Å; L851-R855 VanDerWaalsContact O-CG 3.24Å; L851-R855 WeakPolarHBondContact O-CG 3.28Å; L851-R855 PolarHBondContact O-N 3.09Å |
| 852 | I | 84.5 | Confident | 80.8 | Confident | 76 Ų | 76 | 100.3 Ų | 100.3 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -69.7 | -41.2 | 172.4 | -68.8 | 163.3 | 0 | 0 | 0 | 111.1 | E848 N849 E850 R855 Q856 | E848-I852 VanDerWaalsContact O-CG1 3.31Å; E848-I852 WeakPolarHBondContact O-CG1 3.45Å; E848-I852 PolarHBondContact O-N 2.84Å; N849-I852 WeakPolarHBondContact O-CB 3.46Å; N849-I852 PolarHBondContact O-N 2.63Å; E850-I852 PolarHBondContact O-N 2.65Å; I852-R855 PolarHBondContact O-N 3.28Å; I852-Q856 VanDerWaalsContact O-CG 3.31Å; I852-Q856 WeakPolarHBondContact O-CG 3.34Å; I852-Q856 PolarHBondContact O-N 3.39Å |
| 853 | R | 83.8 | Confident | 81 | Confident | 147 Ų | 147 | 101 Ų | 101 | 56% | 0.555 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -65 | -44.9 | 174.3 | -75.3 | 171.5 | 171.7 | 176.5 | 1.9 | 112.3 | N849 E850 Q856 I857 | N849-R853 WeakPolarHBondContact O-CG 3.33Å; N849-R853 PolarHBondContact O-N 2.8Å; E850-R853 VanDerWaalsContact CD-CD 3.47Å; E850-R853 CarbonylContact O-C 3.57Å; E850-R853 PolarHBondContact O-N 3.48Å; E850-R853 VanDerWaalsContact O-N 3.15Å; E850-R853 WeakPolarHBondContact OE1-CD 3.3Å; E850-R853 IonicContact OE1-CZ 2.64Å; E850-R853 IonicContact OE1-NE 3.53Å; E850-R853 IonicContact OE1-NH1 3.33Å; E850-R853 PolarHBondContact OE1-NH1 2.73Å; E850-R853 WeakPolarHBondContact OE2-CB 3.36Å; E850-R853 WeakPolarHBondContact OE2-CD 3.25Å; R853-Q856 CarbonylContact O-C 3.53Å; R853-Q856 WeakPolarHBondContact O-CA 3.36Å; R853-Q856 WeakPolarHBondContact O-CB 3.41Å; R853-Q856 PolarHBondContact O-N 2.74Å; R853-I857 WeakPolarHBondContact O-CG1 3.27Å; R853-I857 PolarHBondContact O-N 2.75Å |
| 854 | L | 80.8 | Confident | 81.2 | Confident | 99 Ų | 99 | 102.1 Ų | 102.1 | 52% | 0.518 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.1 | -42.4 | 176.1 | -72.2 | 170.8 | 0 | 0 | 0 | 110.7 | E850 Q856 I857 E858 | E850-L854 VanDerWaalsContact O-CB 3.28Å; E850-L854 WeakPolarHBondContact O-CB 3.48Å; E850-L854 VanDerWaalsContact O-CG 3.26Å; E850-L854 WeakPolarHBondContact O-CG 3.3Å; E850-L854 PolarHBondContact O-N 2.79Å; L854-Q856 VanDerWaalsContact C-N 3.32Å; L854-Q856 PolarHBondContact O-N 3.45Å; L854-I857 CarbonylContact O-C 3.54Å; L854-I857 PolarHBondContact O-N 2.7Å; L854-I857 VanDerWaalsContact O-N 3.08Å; L854-E858 VanDerWaalsContact O-CB 3.25Å; L854-E858 WeakPolarHBondContact O-CB 3.12Å; L854-E858 PolarHBondContact O-N 2.75Å |
| 855 | R | 83.1 | Confident | 81.4 | Confident | 150 Ų | 150 | 104.8 Ų | 104.8 | 57% | 0.566 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -63.5 | -33.9 | 170.2 | -74.9 | 171.9 | -176.1 | 152.4 | 3.1 | 113.3 | L851 I852 I857 T859 | L851-R855 WeakPolarHBondContact O-CB 3.35Å; L851-R855 VanDerWaalsContact O-CG 3.24Å; L851-R855 WeakPolarHBondContact O-CG 3.28Å; L851-R855 PolarHBondContact O-N 3.09Å; I852-R855 PolarHBondContact O-N 3.28Å; R855-I857 VanDerWaalsContact C-N 3.31Å; R855-T859 WeakPolarHBondContact O-CB 3.42Å; R855-T859 WeakPolarHBondContact O-CG2 3.48Å; R855-T859 PolarHBondContact O-N 2.71Å; R855-T859 PolarHBondContact O-OG1 3.38Å |
| 856 | Q | 84.1 | Confident | 81.4 | Confident | 109 Ų | 109 | 106 Ų | 106 | 51% | 0.509 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -72.4 | -22.5 | 172.3 | -73.4 | 176.8 | 20.4 | 0 | 0 | 113.2 | I852 R853 L854 K860 | I852-Q856 VanDerWaalsContact O-CG 3.31Å; I852-Q856 WeakPolarHBondContact O-CG 3.34Å; I852-Q856 PolarHBondContact O-N 3.39Å; R853-Q856 CarbonylContact O-C 3.53Å; R853-Q856 WeakPolarHBondContact O-CA 3.36Å; R853-Q856 WeakPolarHBondContact O-CB 3.41Å; R853-Q856 PolarHBondContact O-N 2.74Å; L854-Q856 VanDerWaalsContact C-N 3.32Å; L854-Q856 PolarHBondContact O-N 3.45Å; Q856-K860 VanDerWaalsContact O-CD 3.28Å; Q856-K860 WeakPolarHBondContact O-CD 3.33Å; Q856-K860 WeakPolarHBondContact O-CG 3.36Å; Q856-K860 PolarHBondContact O-N 3.4Å |
| 857 | I | 83.3 | Confident | 81.5 | Confident | 92 Ų | 92 | 104.1 Ų | 104.1 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -82.8 | -44.2 | 171.4 | -69.2 | 164.3 | 0 | 0 | 0 | 109.6 | R853 L854 R855 K860 C861 | R853-I857 WeakPolarHBondContact O-CG1 3.27Å; R853-I857 PolarHBondContact O-N 2.75Å; L854-I857 CarbonylContact O-C 3.54Å; L854-I857 PolarHBondContact O-N 2.7Å; L854-I857 VanDerWaalsContact O-N 3.08Å; R855-I857 VanDerWaalsContact C-N 3.31Å; I857-K860 CarbonylContact O-C 3.33Å; I857-K860 WeakPolarHBondContact O-CA 2.91Å; I857-K860 WeakPolarHBondContact O-CB 3.13Å; I857-K860 PolarHBondContact O-N 3.24Å; I857-K860 VanDerWaalsContact O-N 3.08Å; I857-C861 WeakPolarHBondContact O-CB 3.38Å; I857-C861 PolarHBondContact O-N 2.73Å; I857-C861 PolarHBondContact O-SG 3.4Å |
| 858 | E | 81.2 | Confident | 81.7 | Confident | 121 Ų | 121 | 103 Ų | 103 | 57% | 0.565 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -57.9 | -50.4 | 176 | -175.5 | 174.6 | -138.9 | 0 | 0 | 111.1 | L854 K860 C861 E862 | L854-E858 VanDerWaalsContact O-CB 3.25Å; L854-E858 WeakPolarHBondContact O-CB 3.12Å; L854-E858 PolarHBondContact O-N 2.75Å; E858-K860 VanDerWaalsContact C-N 3.28Å; E858-K860 PolarHBondContact O-N 2.92Å; E858-C861 CarbonylContact O-C 3.54Å; E858-C861 WeakPolarHBondContact O-CA 3.25Å; E858-C861 WeakPolarHBondContact O-CB 3.2Å; E858-C861 PolarHBondContact O-N 2.65Å; E858-E862 PolarHBondContact O-N 3.45Å |
| 859 | T | 83 | Confident | 81.9 | Confident | 58 Ų | 58 | 102.8 Ų | 102.8 | 36% | 0.356 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -26.3 | 174.1 | 50.7 | 0 | 0 | 0 | 0 | 113.5 | R855 Q863 | R855-T859 WeakPolarHBondContact O-CB 3.42Å; R855-T859 WeakPolarHBondContact O-CG2 3.48Å; R855-T859 PolarHBondContact O-N 2.71Å; R855-T859 PolarHBondContact O-OG1 3.38Å; T859-Q863 WeakPolarHBondContact O-CB 3.28Å; T859-Q863 WeakPolarHBondContact O-CG 3.25Å; T859-Q863 PolarHBondContact O-N 2.81Å |
| 860 | K | 83.8 | Confident | 82 | Confident | 120 Ų | 120 | 102.3 Ų | 102.3 | 52% | 0.522 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -73.4 | -35.6 | 167.5 | -78.5 | 171.5 | -173.2 | 170.4 | 0 | 111.9 | Q856 I857 E858 Q863 L864 | Q856-K860 VanDerWaalsContact O-CD 3.28Å; Q856-K860 WeakPolarHBondContact O-CD 3.33Å; Q856-K860 WeakPolarHBondContact O-CG 3.36Å; Q856-K860 PolarHBondContact O-N 3.4Å; I857-K860 CarbonylContact O-C 3.33Å; I857-K860 WeakPolarHBondContact O-CA 2.91Å; I857-K860 WeakPolarHBondContact O-CB 3.13Å; I857-K860 PolarHBondContact O-N 3.24Å; I857-K860 VanDerWaalsContact O-N 3.08Å; E858-K860 VanDerWaalsContact C-N 3.28Å; E858-K860 PolarHBondContact O-N 2.92Å; K860-Q863 PolarHBondContact O-N 2.75Å; K860-L864 VanDerWaalsContact O-CB 3.31Å; K860-L864 WeakPolarHBondContact O-CB 3.48Å; K860-L864 VanDerWaalsContact O-CG 3.26Å; K860-L864 WeakPolarHBondContact O-CG 3.04Å; K860-L864 PolarHBondContact O-N 3.15Å |
| 861 | C | 76.1 | Confident | 82 | Confident | 68 Ų | 68 | 100.6 Ų | 100.6 | 46% | 0.459 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.2 | -39.2 | 174.1 | -72.1 | 0 | 0 | 0 | 0 | 110.7 | I857 E858 L864 Q865 | I857-C861 WeakPolarHBondContact O-CB 3.38Å; I857-C861 PolarHBondContact O-N 2.73Å; I857-C861 PolarHBondContact O-SG 3.4Å; E858-C861 CarbonylContact O-C 3.54Å; E858-C861 WeakPolarHBondContact O-CA 3.25Å; E858-C861 WeakPolarHBondContact O-CB 3.2Å; E858-C861 PolarHBondContact O-N 2.65Å; C861-L864 CarbonylContact O-C 3.56Å; C861-L864 PolarHBondContact O-N 2.81Å; C861-Q865 WeakPolarHBondContact O-CB 3.01Å; C861-Q865 PolarHBondContact O-N 3.03Å |
| 862 | E | 82.5 | Confident | 82.1 | Confident | 105 Ų | 105 | 100.8 Ų | 100.8 | 49% | 0.491 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.7 | -43.5 | 168.9 | -70.7 | -173.4 | 128.1 | 0 | 0 | 111.4 | E858 Q865 N866 | E858-E862 PolarHBondContact O-N 3.45Å; E862-Q865 PolarHBondContact O-N 2.74Å; E862-N866 WeakPolarHBondContact O-CB 2.93Å; E862-N866 PolarHBondContact O-N 3.16Å; E862-N866 PolarHBondContact O-ND2 3.16Å |
| 863 | Q | 82.6 | Confident | 82 | Confident | 130 Ų | 130 | 102.5 Ų | 102.5 | 61% | 0.607 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.6 | -41.9 | 174.8 | -75.3 | 166.5 | 25.7 | 0 | 0 | 111.8 | T859 K860 A867 | T859-Q863 WeakPolarHBondContact O-CB 3.28Å; T859-Q863 WeakPolarHBondContact O-CG 3.25Å; T859-Q863 PolarHBondContact O-N 2.81Å; K860-Q863 PolarHBondContact O-N 2.75Å; Q863-A867 VanDerWaalsContact O-CB 3.26Å; Q863-A867 WeakPolarHBondContact O-CB 3.32Å; Q863-A867 PolarHBondContact O-N 2.9Å |
| 864 | L | 81.7 | Confident | 81.9 | Confident | 121 Ų | 121 | 102 Ų | 102 | 63% | 0.634 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -68.9 | -34.3 | 174.7 | -75.1 | 169.7 | 0 | 0 | 0 | 112.2 | K860 C861 A867 L868 | K860-L864 VanDerWaalsContact O-CB 3.31Å; K860-L864 WeakPolarHBondContact O-CB 3.48Å; K860-L864 VanDerWaalsContact O-CG 3.26Å; K860-L864 WeakPolarHBondContact O-CG 3.04Å; K860-L864 PolarHBondContact O-N 3.15Å; C861-L864 CarbonylContact O-C 3.56Å; C861-L864 PolarHBondContact O-N 2.81Å; L864-A867 CarbonylContact O-C 3.6Å; L864-A867 PolarHBondContact O-N 3.15Å; L864-L868 WeakPolarHBondContact O-CB 2.98Å; L864-L868 PolarHBondContact O-N 3.46Å |
| 865 | Q | 79.5 | Confident | 81.7 | Confident | 132 Ų | 132 | 100.9 Ų | 100.9 | 62% | 0.617 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -73.3 | -37.1 | 176.8 | -173.4 | 179.5 | 15.8 | 0 | 0 | 111 | C861 E862 L868 F869 | C861-Q865 WeakPolarHBondContact O-CB 3.01Å; C861-Q865 PolarHBondContact O-N 3.03Å; E862-Q865 PolarHBondContact O-N 2.74Å; Q865-L868 PolarHBondContact O-N 3.05Å; Q865-F869 VanDerWaalsContact O-CB 3.26Å; Q865-F869 WeakPolarHBondContact O-CB 3.4Å; Q865-F869 PolarHBondContact O-N 3.36Å |
| 866 | N | 82.7 | Confident | 81.7 | Confident | 103 Ų | 103 | 95.8 Ų | 95.8 | 55% | 0.551 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -68.7 | -38.5 | 170.5 | -78.3 | -68.3 | 0 | 0 | 0 | 111.5 | E862 F869 T870 | E862-N866 WeakPolarHBondContact O-CB 2.93Å; E862-N866 PolarHBondContact O-N 3.16Å; E862-N866 PolarHBondContact O-ND2 3.16Å; N866-F869 PolarHBondContact O-N 2.99Å; N866-T870 WeakPolarHBondContact O-CB 3.14Å; N866-T870 PolarHBondContact O-N 3.49Å; N866-T870 PolarHBondContact O-OG1 2.83Å |
| 867 | A | 82.7 | Confident | 81.5 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 46% | 0.463 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.1 | -38.6 | 171.8 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q863 L864 T870 A871 | Q863-A867 VanDerWaalsContact O-CB 3.26Å; Q863-A867 WeakPolarHBondContact O-CB 3.32Å; Q863-A867 PolarHBondContact O-N 2.9Å; L864-A867 CarbonylContact O-C 3.6Å; L864-A867 PolarHBondContact O-N 3.15Å; A867-T870 PolarHBondContact O-N 3.05Å; A867-A871 VanDerWaalsContact O-CB 3.32Å; A867-A871 WeakPolarHBondContact O-CB 3.4Å; A867-A871 PolarHBondContact O-N 2.77Å |
| 868 | L | 79.9 | Confident | 81.3 | Confident | 106 Ų | 106 | 96.4 Ų | 96.4 | 56% | 0.555 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -68.9 | -38.4 | 174.4 | -172.2 | 74.3 | 0 | 0 | 0 | 111.1 | L864 Q865 A871 I872 | L864-L868 WeakPolarHBondContact O-CB 2.98Å; L864-L868 PolarHBondContact O-N 3.46Å; Q865-L868 PolarHBondContact O-N 3.05Å; L868-A871 CarbonylContact O-C 3.59Å; L868-A871 WeakPolarHBondContact O-CB 3.35Å; L868-A871 PolarHBondContact O-N 2.79Å; L868-I872 HydrophobicContact CD2-CD1 4.4Å; L868-I872 HydrophobicContact CG-CD1 4.01Å; L868-I872 WeakPolarHBondContact O-CB 3.28Å; L868-I872 WeakPolarHBondContact O-CG1 3.48Å; L868-I872 PolarHBondContact O-N 2.8Å |
| 869 | F | 82.8 | Confident | 81.1 | Confident | 122 Ų | 122 | 94.3 Ų | 94.3 | 54% | 0.535 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -67.3 | -39.9 | 174.3 | -170.7 | -97.4 | 0 | 0 | 0 | 111.1 | Q865 N866 A871 I872 Q873 | Q865-F869 VanDerWaalsContact O-CB 3.26Å; Q865-F869 WeakPolarHBondContact O-CB 3.4Å; Q865-F869 PolarHBondContact O-N 3.36Å; N866-F869 PolarHBondContact O-N 2.99Å; F869-A871 VanDerWaalsContact C-N 3.31Å; F869-A871 PolarHBondContact O-N 3.16Å; F869-I872 PolarHBondContact O-N 3.38Å; F869-Q873 HydrophobicContact CD1-CG 4.43Å; F869-Q873 HydrophobicContact CE1-CG 4.24Å; F869-Q873 WeakPolarHBondContact O-CG 3.4Å; F869-Q873 PolarHBondContact O-N 3.3Å |
| 870 | T | 83.2 | Confident | 81 | Confident | 69 Ų | 69 | 96.6 Ų | 96.6 | 42% | 0.423 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -64.5 | -36.3 | 170.7 | -54 | 0 | 0 | 0 | 0 | 111.3 | N866 A867 K874 | N866-T870 WeakPolarHBondContact O-CB 3.14Å; N866-T870 PolarHBondContact O-N 3.49Å; N866-T870 PolarHBondContact O-OG1 2.83Å; A867-T870 PolarHBondContact O-N 3.05Å; T870-K874 WeakPolarHBondContact O-CG 3.4Å; T870-K874 PolarHBondContact O-N 2.85Å; T870-K874 VanDerWaalsContact O-N 3.1Å |
| 871 | A | 81.7 | Confident | 80.8 | Confident | 41 Ų | 41 | 96.1 Ų | 96.1 | 34% | 0.339 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.9 | -47.6 | 172.9 | 0 | 0 | 0 | 0 | 0 | 110.6 | A867 L868 F869 Q873 K874 T875 | A867-A871 VanDerWaalsContact O-CB 3.32Å; A867-A871 WeakPolarHBondContact O-CB 3.4Å; A867-A871 PolarHBondContact O-N 2.77Å; L868-A871 CarbonylContact O-C 3.59Å; L868-A871 WeakPolarHBondContact O-CB 3.35Å; L868-A871 PolarHBondContact O-N 2.79Å; F869-A871 VanDerWaalsContact C-N 3.31Å; F869-A871 PolarHBondContact O-N 3.16Å; A871-Q873 VanDerWaalsContact C-N 3.31Å; A871-Q873 PolarHBondContact O-N 2.8Å; A871-K874 CarbonylContact O-C 3.56Å; A871-K874 WeakPolarHBondContact O-CA 3.27Å; A871-K874 WeakPolarHBondContact O-CB 3.31Å; A871-K874 PolarHBondContact O-N 2.76Å; A871-T875 PolarHBondContact O-N 3.16Å; A871-T875 PolarHBondContact O-OG1 3.17Å |
| 872 | I | 80.4 | Confident | 80.7 | Confident | 91 Ų | 91 | 98.5 Ų | 98.5 | 47% | 0.467 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -59.9 | -38.5 | 175.8 | -71.9 | 162.3 | 0 | 0 | 0 | 111.1 | L868 F869 T875 A876 | L868-I872 HydrophobicContact CD2-CD1 4.4Å; L868-I872 HydrophobicContact CG-CD1 4.01Å; L868-I872 WeakPolarHBondContact O-CB 3.28Å; L868-I872 WeakPolarHBondContact O-CG1 3.48Å; L868-I872 PolarHBondContact O-N 2.8Å; F869-I872 PolarHBondContact O-N 3.38Å; I872-T875 PolarHBondContact O-N 2.75Å; I872-A876 VanDerWaalsContact O-CB 3.26Å; I872-A876 WeakPolarHBondContact O-CB 3.17Å; I872-A876 PolarHBondContact O-N 3.34Å |
| 873 | Q | 83.6 | Confident | 80.6 | Confident | 113 Ų | 113 | 96.9 Ų | 96.9 | 53% | 0.528 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.2 | -39.8 | 172 | -76.9 | -172.8 | -19.1 | 0 | 0 | 112.1 | F869 A871 Q877 | F869-Q873 HydrophobicContact CD1-CG 4.43Å; F869-Q873 HydrophobicContact CE1-CG 4.24Å; F869-Q873 WeakPolarHBondContact O-CG 3.4Å; F869-Q873 PolarHBondContact O-N 3.3Å; A871-Q873 VanDerWaalsContact C-N 3.31Å; A871-Q873 PolarHBondContact O-N 2.8Å; Q873-Q877 WeakPolarHBondContact O-CB 3.34Å; Q873-Q877 PolarHBondContact O-N 3.38Å |
| 874 | K | 81.3 | Confident | 80.5 | Confident | 136 Ų | 136 | 93.6 Ų | 93.6 | 59% | 0.591 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -68.3 | -37.3 | 171.9 | -71.5 | 175.2 | 179.9 | 179.6 | 0 | 112.3 | T870 A871 Q877 V878 | T870-K874 WeakPolarHBondContact O-CG 3.4Å; T870-K874 PolarHBondContact O-N 2.85Å; T870-K874 VanDerWaalsContact O-N 3.1Å; A871-K874 CarbonylContact O-C 3.56Å; A871-K874 WeakPolarHBondContact O-CA 3.27Å; A871-K874 WeakPolarHBondContact O-CB 3.31Å; A871-K874 PolarHBondContact O-N 2.76Å; K874-Q877 PolarHBondContact O-N 2.92Å; K874-V878 WeakPolarHBondContact O-CB 3.23Å; K874-V878 VanDerWaalsContact O-CG2 3.32Å; K874-V878 WeakPolarHBondContact O-CG2 3.46Å; K874-V878 PolarHBondContact O-N 2.86Å |
| 875 | T | 76.3 | Confident | 80.4 | Confident | 76 Ų | 76 | 92.6 Ų | 92.6 | 47% | 0.466 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -64.4 | -47.3 | 174.8 | -49.2 | 0 | 0 | 0 | 0 | 109.3 | A871 I872 Q877 V878 E879 | A871-T875 PolarHBondContact O-N 3.16Å; A871-T875 PolarHBondContact O-OG1 3.17Å; I872-T875 PolarHBondContact O-N 2.75Å; T875-Q877 VanDerWaalsContact C-N 3.28Å; T875-Q877 PolarHBondContact O-N 3.46Å; T875-V878 CarbonylContact O-C 3.58Å; T875-V878 VanDerWaalsContact O-C 3.31Å; T875-V878 WeakPolarHBondContact O-CA 3.49Å; T875-V878 WeakPolarHBondContact O-CB 3.45Å; T875-V878 PolarHBondContact O-N 3.5Å; T875-E879 HydrophobicContact CG2-CG 4.46Å; T875-E879 WeakPolarHBondContact O-CB 3.43Å; T875-E879 WeakPolarHBondContact O-CG 3.34Å; T875-E879 PolarHBondContact O-N 2.93Å |
| 876 | A | 82.1 | Confident | 80 | Confident | 43 Ų | 43 | 88.8 Ų | 88.8 | 36% | 0.355 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.9 | -35 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | I872 E879 V880 | I872-A876 VanDerWaalsContact O-CB 3.26Å; I872-A876 WeakPolarHBondContact O-CB 3.17Å; I872-A876 PolarHBondContact O-N 3.34Å; A876-E879 PolarHBondContact O-N 3.14Å; A876-V880 WeakPolarHBondContact O-CG2 3.17Å; A876-V880 PolarHBondContact O-N 3.41Å |
| 877 | Q | 81 | Confident | 79.7 | Confident | 125 Ų | 125 | 87.6 Ų | 87.6 | 58% | 0.584 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -69.3 | -41.4 | 172.3 | -168.4 | 166.7 | 11.6 | 0 | 0 | 111.8 | Q873 K874 T875 E879 V880 E881 | Q873-Q877 WeakPolarHBondContact O-CB 3.34Å; Q873-Q877 PolarHBondContact O-N 3.38Å; K874-Q877 PolarHBondContact O-N 2.92Å; T875-Q877 VanDerWaalsContact C-N 3.28Å; T875-Q877 PolarHBondContact O-N 3.46Å; Q877-E879 PolarHBondContact O-N 3.44Å; Q877-V880 PolarHBondContact O-N 2.96Å; Q877-E881 WeakPolarHBondContact O-CG 3.44Å; Q877-E881 PolarHBondContact O-N 2.78Å |
| 878 | V | 78.9 | Confident | 79.4 | Confident | 88 Ų | 88 | 93.2 Ų | 93.2 | 53% | 0.533 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -66.8 | -24.2 | 170.1 | 169.4 | 0 | 0 | 0 | 0 | 111.8 | K874 T875 R882 | K874-V878 WeakPolarHBondContact O-CB 3.23Å; K874-V878 VanDerWaalsContact O-CG2 3.32Å; K874-V878 WeakPolarHBondContact O-CG2 3.46Å; K874-V878 PolarHBondContact O-N 2.86Å; T875-V878 CarbonylContact O-C 3.58Å; T875-V878 VanDerWaalsContact O-C 3.31Å; T875-V878 WeakPolarHBondContact O-CA 3.49Å; T875-V878 WeakPolarHBondContact O-CB 3.45Å; T875-V878 PolarHBondContact O-N 3.5Å; V878-R882 WeakPolarHBondContact O-CA 3.15Å; V878-R882 WeakPolarHBondContact O-CB 3.28Å; V878-R882 PolarHBondContact O-N 3.25Å |
| 879 | E | 76.1 | Confident | 79.1 | Confident | 77 Ų | 77 | 92.4 Ų | 92.4 | 36% | 0.36 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -78.9 | -37.9 | 172.7 | -73.9 | -169.1 | 110.7 | 0 | 0 | 111.2 | T875 A876 Q877 E881 R882 D883 | T875-E879 HydrophobicContact CG2-CG 4.46Å; T875-E879 WeakPolarHBondContact O-CB 3.43Å; T875-E879 WeakPolarHBondContact O-CG 3.34Å; T875-E879 PolarHBondContact O-N 2.93Å; A876-E879 PolarHBondContact O-N 3.14Å; Q877-E879 PolarHBondContact O-N 3.44Å; E879-E881 VanDerWaalsContact C-N 3.31Å; E879-E881 PolarHBondContact O-N 3.44Å; E879-R882 CarbonylContact O-C 3.56Å; E879-R882 WeakPolarHBondContact O-CB 3.32Å; E879-R882 PolarHBondContact O-N 3.22Å; E879-R882 IonicContact OE1-CZ 2.66Å; E879-R882 IonicContact OE1-NH1 3.83Å; E879-R882 PolarHBondContact OE1-NH1 2.87Å; E879-R882 IonicContact OE1-NH2 2.58Å; E879-R882 PolarHBondContact OE1-NH2 2.67Å; E879-D883 WeakPolarHBondContact O-CB 3.39Å; E879-D883 PolarHBondContact O-N 2.77Å |
| 880 | V | 82.7 | Confident | 78.5 | Confident | 107 Ų | 107 | 89.4 Ų | 89.4 | 65% | 0.648 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -63.4 | -39 | 168.3 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | A876 Q877 D883 S884 | A876-V880 WeakPolarHBondContact O-CG2 3.17Å; A876-V880 PolarHBondContact O-N 3.41Å; Q877-V880 PolarHBondContact O-N 2.96Å; V880-D883 PolarHBondContact O-N 2.63Å; V880-S884 WeakPolarHBondContact O-CB 3.4Å; V880-S884 PolarHBondContact O-N 2.86Å |
| 881 | E | 79.4 | Confident | 78 | Confident | 109 Ų | 109 | 90.9 Ų | 90.9 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.1 | -46.6 | 170.8 | -73.1 | -178.5 | -173.7 | 0 | 0 | 111.7 | Q877 E879 D883 S884 L885 | Q877-E881 WeakPolarHBondContact O-CG 3.44Å; Q877-E881 PolarHBondContact O-N 2.78Å; E879-E881 VanDerWaalsContact C-N 3.31Å; E879-E881 PolarHBondContact O-N 3.44Å; E881-D883 PolarHBondContact O-N 2.78Å; E881-S884 CarbonylContact O-C 3.57Å; E881-S884 PolarHBondContact O-N 3.29Å; E881-S884 PolarHBondContact O-OG 2.82Å; E881-L885 WeakPolarHBondContact O-CB 3.39Å; E881-L885 WeakPolarHBondContact O-CG 3.43Å; E881-L885 PolarHBondContact O-N 3.49Å |
| 882 | R | 73.1 | Confident | 77.2 | Confident | 119 Ų | 119 | 94.7 Ų | 94.7 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -56 | -37.2 | 173.4 | -177.4 | -158.9 | 68.4 | -154.6 | -12.1 | 110.8 | V878 E879 L885 S886 | V878-R882 WeakPolarHBondContact O-CA 3.15Å; V878-R882 WeakPolarHBondContact O-CB 3.28Å; V878-R882 PolarHBondContact O-N 3.25Å; E879-R882 CarbonylContact O-C 3.56Å; E879-R882 WeakPolarHBondContact O-CB 3.32Å; E879-R882 PolarHBondContact O-N 3.22Å; E879-R882 IonicContact OE1-CZ 2.66Å; E879-R882 IonicContact OE1-NH1 3.83Å; E879-R882 PolarHBondContact OE1-NH1 2.87Å; E879-R882 IonicContact OE1-NH2 2.58Å; E879-R882 PolarHBondContact OE1-NH2 2.67Å; R882-L885 CarbonylContact O-C 3.56Å; R882-L885 PolarHBondContact O-N 3.28Å; R882-S886 WeakPolarHBondContact O-CA 3.25Å; R882-S886 WeakPolarHBondContact O-CB 3.25Å; R882-S886 PolarHBondContact O-N 2.88Å |
| 883 | D | 80.8 | Confident | 75.9 | Confident | 71 Ų | 71 | 96.2 Ų | 96.2 | 38% | 0.38 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -85.8 | -24.2 | -176.1 | -65.9 | -9.9 | 0 | 0 | 0 | 111.4 | E879 V880 E881 S886 T887 | E879-D883 WeakPolarHBondContact O-CB 3.39Å; E879-D883 PolarHBondContact O-N 2.77Å; V880-D883 PolarHBondContact O-N 2.63Å; E881-D883 PolarHBondContact O-N 2.78Å; D883-S886 PolarHBondContact O-N 2.82Å; D883-T887 WeakPolarHBondContact O-CB 3.49Å; D883-T887 WeakPolarHBondContact O-CG2 3.33Å; D883-T887 PolarHBondContact O-N 2.84Å; D883-T887 PolarHBondContact O-OG1 2.79Å |
| 884 | S | 79.5 | Confident | 74.7 | Confident | 60 Ų | 60 | 97 Ų | 97 | 42% | 0.42 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -68.5 | -35.5 | 161.5 | 86.6 | 0 | 0 | 0 | 0 | 112.2 | V880 E881 T887 R888 | V880-S884 WeakPolarHBondContact O-CB 3.4Å; V880-S884 PolarHBondContact O-N 2.86Å; E881-S884 CarbonylContact O-C 3.57Å; E881-S884 PolarHBondContact O-N 3.29Å; E881-S884 PolarHBondContact O-OG 2.82Å; S884-T887 WeakPolarHBondContact CA-OG1 3.32Å; S884-T887 PolarHBondContact O-OG1 2.74Å; S884-T887 VanDerWaalsContact O-OG1 3.06Å; S884-R888 WeakPolarHBondContact O-CG 3.19Å; S884-R888 PolarHBondContact O-N 3.49Å; S884-R888 VanDerWaalsContact O-N 3.13Å |
| 885 | L | 80.7 | Confident | 73.5 | Confident | 101 Ų | 101 | 95.4 Ų | 95.4 | 53% | 0.529 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -76.9 | -30.7 | 173.1 | -70.2 | 171.7 | 0 | 0 | 0 | 111.4 | E881 R882 R888 L889 | E881-L885 WeakPolarHBondContact O-CB 3.39Å; E881-L885 WeakPolarHBondContact O-CG 3.43Å; E881-L885 PolarHBondContact O-N 3.49Å; R882-L885 CarbonylContact O-C 3.56Å; R882-L885 PolarHBondContact O-N 3.28Å; L885-R888 CarbonylContact O-C 3.53Å; L885-R888 WeakPolarHBondContact O-CB 3.46Å; L885-R888 PolarHBondContact O-N 3.29Å; L885-L889 WeakPolarHBondContact O-CB 3.37Å; L885-L889 PolarHBondContact O-N 2.81Å |
| 886 | S | 70.8 | Confident | 72.3 | Confident | 52 Ų | 52 | 97.3 Ų | 97.3 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -76.7 | -37 | 177.9 | -167 | 0 | 0 | 0 | 0 | 109.9 | R882 D883 R888 L889 T890 | R882-S886 WeakPolarHBondContact O-CA 3.25Å; R882-S886 WeakPolarHBondContact O-CB 3.25Å; R882-S886 PolarHBondContact O-N 2.88Å; D883-S886 PolarHBondContact O-N 2.82Å; S886-R888 VanDerWaalsContact C-N 3.35Å; S886-L889 CarbonylContact O-C 3.48Å; S886-L889 WeakPolarHBondContact O-CA 3.35Å; S886-L889 PolarHBondContact O-N 2.76Å; S886-L889 VanDerWaalsContact O-N 3.08Å; S886-T890 WeakPolarHBondContact O-CB 3.16Å; S886-T890 WeakPolarHBondContact O-CG2 3.24Å; S886-T890 PolarHBondContact O-N 2.85Å; S886-T890 PolarHBondContact O-OG1 3Å; S886-T890 VanDerWaalsContact O-OG1 3.1Å |
| 887 | T | 76.8 | Confident | 70.5 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 48% | 0.479 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.1 | -35.4 | 167.3 | 45.6 | 0 | 0 | 0 | 0 | 112 | D883 S884 L889 T890 N891 | D883-T887 WeakPolarHBondContact O-CB 3.49Å; D883-T887 WeakPolarHBondContact O-CG2 3.33Å; D883-T887 PolarHBondContact O-N 2.84Å; D883-T887 PolarHBondContact O-OG1 2.79Å; S884-T887 WeakPolarHBondContact CA-OG1 3.32Å; S884-T887 PolarHBondContact O-OG1 2.74Å; S884-T887 VanDerWaalsContact O-OG1 3.06Å; T887-L889 VanDerWaalsContact C-N 3.33Å; T887-T890 WeakPolarHBondContact CA-OG1 3.35Å; T887-T890 PolarHBondContact O-OG1 3.23Å; T887-N891 WeakPolarHBondContact O-CB 3.45Å; T887-N891 PolarHBondContact O-N 2.67Å; T887-N891 PolarHBondContact O-ND2 3.03Å; T887-N891 VanDerWaalsContact O-ND2 3.12Å |
| 888 | R | 77.1 | Confident | 69 | Low | 173 Ų | 173 | 99.1 Ų | 99.1 | 65% | 0.653 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -64.5 | -36.4 | 166.2 | -73.5 | 172.3 | 65.5 | 158 | 0.3 | 112.4 | S884 L885 S886 L892 | S884-R888 WeakPolarHBondContact O-CG 3.19Å; S884-R888 PolarHBondContact O-N 3.49Å; S884-R888 VanDerWaalsContact O-N 3.13Å; L885-R888 CarbonylContact O-C 3.53Å; L885-R888 WeakPolarHBondContact O-CB 3.46Å; L885-R888 PolarHBondContact O-N 3.29Å; S886-R888 VanDerWaalsContact C-N 3.35Å; R888-L892 WeakPolarHBondContact O-CB 3.47Å; R888-L892 WeakPolarHBondContact O-CG 3.35Å; R888-L892 PolarHBondContact O-N 3.34Å |
| 889 | L | 73 | Confident | 67.2 | Low | 90 Ų | 90 | 102.1 Ų | 102.1 | 47% | 0.471 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -82 | -21 | -178.8 | -163.9 | 137.8 | 0 | 0 | 0 | 113 | L885 S886 T887 K893 | L885-L889 WeakPolarHBondContact O-CB 3.37Å; L885-L889 PolarHBondContact O-N 2.81Å; S886-L889 CarbonylContact O-C 3.48Å; S886-L889 WeakPolarHBondContact O-CA 3.35Å; S886-L889 PolarHBondContact O-N 2.76Å; S886-L889 VanDerWaalsContact O-N 3.08Å; T887-L889 VanDerWaalsContact C-N 3.33Å; L889-K893 HydrophobicContact CD2-CD 3.86Å; L889-K893 HydrophobicContact CD2-CG 4.1Å; L889-K893 WeakPolarHBondContact O-CA 3.21Å; L889-K893 WeakPolarHBondContact O-CB 3.41Å; L889-K893 WeakPolarHBondContact O-CG 3.11Å; L889-K893 PolarHBondContact O-N 3.31Å |
| 890 | T | 69.1 | Low | 65.5 | Low | 58 Ų | 58 | 107.6 Ų | 107.6 | 36% | 0.356 | 55% | 0.55 | S | S | . | * | H | α-helix | trans | -85.3 | -30 | 168.1 | 57.3 | 0 | 0 | 0 | 0 | 111.3 | S886 T887 L892 K893 Q894 | S886-T890 WeakPolarHBondContact O-CB 3.16Å; S886-T890 WeakPolarHBondContact O-CG2 3.24Å; S886-T890 PolarHBondContact O-N 2.85Å; S886-T890 PolarHBondContact O-OG1 3Å; S886-T890 VanDerWaalsContact O-OG1 3.1Å; T887-T890 WeakPolarHBondContact CA-OG1 3.35Å; T887-T890 PolarHBondContact O-OG1 3.23Å; T890-L892 VanDerWaalsContact C-N 3.34Å; T890-K893 PolarHBondContact O-N 3.38Å; T890-Q894 VanDerWaalsContact O-CB 3.23Å; T890-Q894 WeakPolarHBondContact O-CB 3.37Å; T890-Q894 VanDerWaalsContact O-CG 3.23Å; T890-Q894 WeakPolarHBondContact O-CG 3.12Å; T890-Q894 PolarHBondContact O-N 3.28Å |
| 891 | N | 73.7 | Confident | 63.1 | Low | 101 Ų | 101 | 109.3 Ų | 109.3 | 54% | 0.54 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -63.2 | -42.4 | 164.3 | -71.4 | -25.3 | 0 | 0 | 0 | 110.8 | T887 S895 | T887-N891 WeakPolarHBondContact O-CB 3.45Å; T887-N891 PolarHBondContact O-N 2.67Å; T887-N891 PolarHBondContact O-ND2 3.03Å; T887-N891 VanDerWaalsContact O-ND2 3.12Å; N891-S895 PolarHBondContact O-N 3.27Å; N891-S895 VanDerWaalsContact O-N 3.16Å; N891-S895 PolarHBondContact O-OG 2.9Å; N891-S895 VanDerWaalsContact O-OG 3.05Å |
| 892 | L | 64 | Low | 60.5 | Low | 120 Ų | 120 | 111.1 Ų | 111.1 | 63% | 0.628 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -68.9 | -40.7 | 172 | -77.9 | 163.3 | 0 | 0 | 0 | 112.8 | R888 T890 S895 L896 | R888-L892 WeakPolarHBondContact O-CB 3.47Å; R888-L892 WeakPolarHBondContact O-CG 3.35Å; R888-L892 PolarHBondContact O-N 3.34Å; T890-L892 VanDerWaalsContact C-N 3.34Å; L892-S895 CarbonylContact O-C 3.57Å; L892-S895 WeakPolarHBondContact O-CB 3.07Å; L892-S895 PolarHBondContact O-N 2.86Å; L892-L896 WeakPolarHBondContact O-CB 3.18Å; L892-L896 PolarHBondContact O-N 3.48Å |
| 893 | K | 54.3 | Low | 58.4 | Low | 124 Ų | 124 | 112.4 Ų | 112.4 | 54% | 0.539 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -73.1 | -27.5 | 176 | -84.2 | -174.3 | 173.8 | -177.9 | 0 | 112.9 | L889 T890 S895 L896 H897 | L889-K893 HydrophobicContact CD2-CD 3.86Å; L889-K893 HydrophobicContact CD2-CG 4.1Å; L889-K893 WeakPolarHBondContact O-CA 3.21Å; L889-K893 WeakPolarHBondContact O-CB 3.41Å; L889-K893 WeakPolarHBondContact O-CG 3.11Å; L889-K893 PolarHBondContact O-N 3.31Å; T890-K893 PolarHBondContact O-N 3.38Å; K893-S895 VanDerWaalsContact C-N 3.34Å; K893-L896 CarbonylContact O-C 3.54Å; K893-L896 PolarHBondContact O-N 2.79Å; K893-L896 VanDerWaalsContact O-N 3.16Å; K893-H897 WeakPolarHBondContact O-CA 3.5Å; K893-H897 WeakPolarHBondContact O-CB 3.19Å; K893-H897 PolarHBondContact O-N 3.02Å |
| 894 | Q | 58.4 | Low | 56 | Low | 130 Ų | 130 | 115 Ų | 115 | 61% | 0.607 | 61% | 0.607 | S | S | * | * | H | α-helix | trans | -66.8 | -42.3 | 168.8 | -77.4 | 176 | -3.4 | 0 | 0 | 109.3 | T890 L896 S898 | T890-Q894 VanDerWaalsContact O-CB 3.23Å; T890-Q894 WeakPolarHBondContact O-CB 3.37Å; T890-Q894 VanDerWaalsContact O-CG 3.23Å; T890-Q894 WeakPolarHBondContact O-CG 3.12Å; T890-Q894 PolarHBondContact O-N 3.28Å; Q894-L896 PolarHBondContact O-N 3Å; Q894-S898 WeakPolarHBondContact O-CB 3.27Å; Q894-S898 PolarHBondContact O-N 3.31Å; Q894-S898 PolarHBondContact O-OG 3.45Å |
| 895 | S | 56.5 | Low | 53.6 | Low | 101 Ų | 101 | 120.4 Ų | 120.4 | 71% | 0.706 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -60.9 | -24.3 | 169.1 | -57.4 | 0 | 0 | 0 | 0 | 114.2 | N891 L892 K893 | N891-S895 PolarHBondContact O-N 3.27Å; N891-S895 VanDerWaalsContact O-N 3.16Å; N891-S895 PolarHBondContact O-OG 2.9Å; N891-S895 VanDerWaalsContact O-OG 3.05Å; L892-S895 CarbonylContact O-C 3.57Å; L892-S895 WeakPolarHBondContact O-CB 3.07Å; L892-S895 PolarHBondContact O-N 2.86Å; K893-S895 VanDerWaalsContact C-N 3.34Å |
| 896 | L | 50.6 | Low | 51.3 | Low | 116 Ų | 116 | 122.4 Ų | 122.4 | 61% | 0.607 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -101.7 | -23.1 | -177.4 | -153.2 | 79.7 | 0 | 0 | 0 | 114.7 | L892 K893 Q894 Q899 | L892-L896 WeakPolarHBondContact O-CB 3.18Å; L892-L896 PolarHBondContact O-N 3.48Å; K893-L896 CarbonylContact O-C 3.54Å; K893-L896 PolarHBondContact O-N 2.79Å; K893-L896 VanDerWaalsContact O-N 3.16Å; Q894-L896 PolarHBondContact O-N 3Å; L896-Q899 WeakPolarHBondContact O-CB 3.17Å |
| 897 | H | 44.2 | Very low | 49.5 | Very low | 90 Ų | 90 | 128.1 Ų | 128.1 | 42% | 0.417 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -118.5 | -9.9 | -165.2 | -152.8 | 62.2 | 0 | 0 | 0 | 113.5 | K893 Q899 R900 L901 | K893-H897 WeakPolarHBondContact O-CA 3.5Å; K893-H897 WeakPolarHBondContact O-CB 3.19Å; K893-H897 PolarHBondContact O-N 3.02Å; H897-Q899 PolarHBondContact O-N 2.7Å; H897-R900 VanDerWaalsContact CE1-C 3.42Å; H897-R900 PolarHBondContact CE1-O 2.78Å; H897-R900 PolarHBondContact O-N 3.32Å; H897-R900 VanDerWaalsContact O-N 3.11Å; H897-L901 WeakPolarHBondContact NE2-CD1 3.39Å; H897-L901 PolarHBondContact O-N 2.91Å |
| 898 | S | 48.9 | Very low | 47.6 | Very low | 117 Ų | 117 | 133.5 Ų | 133.5 | 82% | 0.818 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.4 | 2.7 | 144.5 | -64.8 | 0 | 0 | 0 | 0 | 113.3 | Q894 | Q894-S898 WeakPolarHBondContact O-CB 3.27Å; Q894-S898 PolarHBondContact O-N 3.31Å; Q894-S898 PolarHBondContact O-OG 3.45Å |
| 899 | Q | 42 | Very low | 45.7 | Very low | 151 Ų | 151 | 129.2 Ų | 129.2 | 71% | 0.706 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -115.6 | -9.8 | 173.1 | -148.8 | 176.1 | 38.9 | 0 | 0 | 114.6 | L896 H897 | L896-Q899 WeakPolarHBondContact O-CB 3.17Å; H897-Q899 PolarHBondContact O-N 2.7Å |
| 900 | R | 39.8 | Very low | 44.2 | Very low | 192 Ų | 192 | 132.1 Ų | 132.1 | 73% | 0.725 | 70% | 0.7 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -149.3 | 15.7 | -169.1 | -65.1 | -165.4 | -169.5 | -157.1 | 2.4 | 118.3 | H897 L902 | H897-R900 VanDerWaalsContact CE1-C 3.42Å; H897-R900 PolarHBondContact CE1-O 2.78Å; H897-R900 PolarHBondContact O-N 3.32Å; H897-R900 VanDerWaalsContact O-N 3.11Å; R900-L902 PolarHBondContact O-N 2.76Å; R900-L902 VanDerWaalsContact O-N 3.07Å |
| 901 | L | 32.3 | Very low | 42.8 | Very low | 143 Ų | 143 | 136.7 Ų | 136.7 | 75% | 0.749 | 72% | 0.723 | S | S | * | * | trans | -78.6 | 91.6 | 171.9 | -170.8 | 75.5 | 0 | 0 | 0 | 111.4 | H897 | H897-L901 WeakPolarHBondContact NE2-CD1 3.39Å; H897-L901 PolarHBondContact O-N 2.91Å | ||
| 902 | L | 25.9 | Very low | 41 | Very low | 147 Ų | 147 | 140.1 Ų | 140.1 | 77% | 0.77 | 74% | 0.735 | S | S | * | * | trans | -139.4 | 143.6 | 152.4 | -91.4 | 173 | 0 | 0 | 0 | 107.8 | R900 | R900-L902 PolarHBondContact O-N 2.76Å; R900-L902 VanDerWaalsContact O-N 3.07Å | ||
| 903 | D | 28 | Very low | 39.7 | Very low | 146 Ų | 146 | 143.5 Ų | 143.5 | 78% | 0.781 | 75% | 0.748 | S | S | * | * | trans | 74.9 | 139.8 | 167.6 | -50 | -26.6 | 0 | 0 | 0 | 120.6 | ||||
| 904 | S | 30.8 | Very low | 38.9 | Very low | 126 Ų | 126 | 141.5 Ų | 141.5 | 88% | 0.881 | 76% | 0.763 | S | S | * | * | trans | 78.6 | 143 | 161.6 | 66.3 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 905 | E | 29.6 | Very low | 37.7 | Very low | 173 Ų | 173 | 138.9 Ų | 138.9 | 81% | 0.808 | 77% | 0.77 | S | S | * | * | trans | -146.8 | 156 | -170.8 | -53.5 | 173.4 | 103.1 | 0 | 0 | 111.2 | ||||
| 906 | N | 30.9 | Very low | 36.7 | Very low | 142 Ų | 142 | 142.7 Ų | 142.7 | 76% | 0.759 | 78% | 0.781 | S | S | * | * | trans | 63.4 | 146.6 | 155.9 | -50.8 | -35.4 | 0 | 0 | 0 | 121.8 | ||||
| 907 | D | 34.1 | Very low | 35.9 | Very low | 172 Ų | 172 | 143.9 Ų | 143.9 | 92% | 0.92 | 79% | 0.793 | S | S | * | * | trans | -174.5 | 178.5 | 159.8 | -99.2 | -26.2 | 0 | 0 | 0 | 112.8 | ||||
| 908 | E | 36.7 | Very low | 35.4 | Very low | 192 Ų | 192 | 145.1 Ų | 145.1 | 90% | 0.897 | 81% | 0.812 | S | S | * | * | trans | -133.5 | -177.4 | -153.6 | -64.2 | -179 | 144.7 | 0 | 0 | 118.9 | ||||
| 909 | A | 36.9 | Very low | 34.7 | Very low | 83 Ų | 83 | 146.7 Ų | 146.7 | 69% | 0.686 | 81% | 0.81 | S | S | * | * | trans | 89.9 | 119.6 | 143.3 | 0 | 0 | 0 | 0 | 0 | 126.6 | ||||
| 910 | D | 42.2 | Very low | 34.3 | Very low | 151 Ų | 151 | 148.6 Ų | 148.6 | 81% | 0.807 | 82% | 0.819 | S | S | * | * | 60.5 | 157.3 | 115.8 | -52.4 | -20.7 | 0 | 0 | 0 | 129.6 | |||||
| 911 | D | 38.8 | Very low | 34.1 | Very low | 154 Ų | 154 | 146.9 Ų | 146.9 | 82% | 0.824 | 82% | 0.824 | S | S | * | * | trans | 107 | 129.7 | 146.6 | -70.3 | -27 | 0 | 0 | 0 | 129.2 | ||||
| 912 | E | 37.2 | Very low | 34.3 | Very low | 173 Ų | 173 | 149.2 Ų | 149.2 | 81% | 0.808 | 83% | 0.831 | S | S | * | * | trans | 73.6 | 143.6 | 139.2 | -72 | -162.9 | 154.8 | 0 | 0 | 132.9 | ||||
| 913 | E | 36.4 | Very low | 34.5 | Very low | 191 Ų | 191 | 150.2 Ų | 150.2 | 89% | 0.893 | 83% | 0.832 | S | S | * | * | trans | 66.1 | 144.4 | 147.8 | -76.8 | -144.5 | 130.4 | 0 | 0 | 130.2 | ||||
| 914 | G | 36.1 | Very low | 34.8 | Very low | 82 Ų | 82 | 149.2 Ų | 149.2 | 85% | 0.845 | 83% | 0.831 | S | S | * | * | trans | 144 | 143.6 | 157.5 | 0 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 915 | G | 34.4 | Very low | 34.7 | Very low | 75 Ų | 75 | 148.6 Ų | 148.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -177.2 | 175.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 916 | I | 35.1 | Very low | 34.8 | Very low | 180 Ų | 180 | 144.1 Ų | 144.1 | 92% | 0.923 | 81% | 0.805 | S | S | * | * | trans | -173.1 | 172.7 | 169.8 | -105.6 | 158.7 | 0 | 0 | 0 | 114.2 | ||||
| 917 | V | 34.2 | Very low | 34.7 | Very low | 141 Ų | 141 | 140.6 Ų | 140.6 | 86% | 0.855 | 80% | 0.802 | S | S | * | * | trans | -143.4 | 152.8 | -158.5 | 171.4 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 918 | S | 32.9 | Very low | 34.4 | Very low | 117 Ų | 117 | 139.4 Ų | 139.4 | 82% | 0.818 | 80% | 0.796 | S | S | * | * | trans | 169.4 | 177.8 | 134 | -154.3 | 0 | 0 | 0 | 0 | 117 | ||||
| 919 | L | 33.9 | Very low | 33.9 | Very low | 149 Ų | 149 | 139 Ų | 139 | 78% | 0.78 | 79% | 0.791 | S | S | * | * | trans | -133.2 | 165.4 | -162.4 | -68.2 | 162.2 | 0 | 0 | 0 | 116.4 | ||||
| 920 | H | 34.7 | Very low | 33.6 | Very low | 192 Ų | 192 | 141.9 Ų | 141.9 | 89% | 0.889 | 80% | 0.8 | S | S | * | * | trans | -168.6 | 161.3 | 151.8 | -108.6 | 63.6 | 0 | 0 | 0 | 113.3 | ||||
| 921 | D | 35.4 | Very low | 32.9 | Very low | 155 Ų | 155 | 138.1 Ų | 138.1 | 83% | 0.829 | 80% | 0.798 | S | S | * | * | trans | -122.3 | -169.4 | -157.3 | -57.6 | -76.2 | 0 | 0 | 0 | 118.1 | ||||
| 922 | E | 36.8 | Very low | 32.4 | Very low | 192 Ų | 192 | 138.4 Ų | 138.4 | 90% | 0.897 | 80% | 0.799 | S | S | * | * | trans | -90.6 | -177.4 | -169.6 | -56.7 | -153.9 | 167.2 | 0 | 0 | 117.6 | ||||
| 923 | E | 30.5 | Very low | 32 | Very low | 169 Ų | 169 | 134.5 Ų | 134.5 | 79% | 0.79 | 79% | 0.791 | S | S | * | * | 154.8 | 152.2 | 116.9 | -147.1 | -172.8 | -141 | 0 | 0 | 116.6 | |||||
| 924 | V | 33.6 | Very low | 31.6 | Very low | 125 Ų | 125 | 130.6 Ų | 130.6 | 76% | 0.758 | 78% | 0.78 | S | S | * | * | trans | 55.1 | 161.3 | 155.9 | -72.7 | 0 | 0 | 0 | 0 | 124.8 | ||||
| 925 | D | 27.9 | Very low | 31.2 | Very low | 113 Ų | 113 | 131 Ų | 131 | 60% | 0.604 | 76% | 0.76 | S | S | * | * | cis | -175.3 | 162.7 | -35.9 | -176.4 | 44.1 | 0 | 0 | 0 | 112.3 | R829 | R829-D925 PolarHBondContact NH2-O 3.47Š| ||
| 926 | S | 32 | Very low | 31 | Very low | 78 Ų | 78 | 133.2 Ų | 133.2 | 55% | 0.545 | 75% | 0.75 | S | S | . | * | trans | -8.3 | 168.7 | 167.1 | 80.4 | 0 | 0 | 0 | 0 | 124.9 | R829 | R829-S926 PolarHBondContact NH1-O 3.33Å; R829-S926 PolarHBondContact NH2-O 2.85Å | ||
| 927 | G | 30 | Very low | 30.8 | Very low | 68 Ų | 68 | 128 Ų | 128 | 70% | 0.701 | 73% | 0.727 | S | S | * | * | trans | -173.4 | 33.5 | -177.7 | 0 | 0 | 0 | 0 | 0 | 119.3 | ||||
| 928 | N | 27.4 | Very low | 30.8 | Very low | 148 Ų | 148 | 124.3 Ų | 124.3 | 79% | 0.791 | 71% | 0.707 | S | S | * | * | trans | -32.4 | 142.1 | 172.3 | -92.3 | -22.5 | 0 | 0 | 0 | 119.7 | ||||
| 929 | K | 25.8 | Very low | 31.5 | Very low | 183 Ų | 183 | 123.9 Ų | 123.9 | 80% | 0.796 | 70% | 0.702 | S | S | * | * | 161.6 | 154.4 | 109.6 | -104.8 | 158.5 | -178.2 | -179 | 0 | 118.2 | |||||
| 930 | T | 31.1 | Very low | 31.4 | Very low | 143 Ų | 143 | 125.3 Ų | 125.3 | 88% | 0.877 | 71% | 0.705 | S | S | * | * | trans | 57.9 | 147.7 | 150.6 | 49.9 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 931 | G | 26.6 | Very low | 30.9 | Very low | 73 Ų | 73 | 120.9 Ų | 120.9 | 75% | 0.753 | 69% | 0.694 | S | S | * | * | cis | 175.6 | 148.1 | -5 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 932 | D | 29.1 | Very low | 30.5 | Very low | 159 Ų | 159 | 120.8 Ų | 120.8 | 85% | 0.85 | 69% | 0.693 | S | S | * | * | trans | -26.7 | 159 | 158.8 | -138.2 | 1.8 | 0 | 0 | 0 | 116.5 | ||||
| 933 | S | 27.8 | Very low | 30 | Very low | 91 Ų | 91 | 115 Ų | 115 | 64% | 0.636 | 68% | 0.684 | S | S | * | * | cis | -162.8 | -174.8 | 19.4 | 75.3 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 934 | T | 29 | Very low | 30 | Very low | 109 Ų | 109 | 113.5 Ų | 113.5 | 67% | 0.669 | 69% | 0.686 | S | S | * | * | cis | -158.4 | 179.7 | -11.3 | 0.5 | 0 | 0 | 0 | 0 | 109.4 | H1790 | T934-H1790 PolarHBondContact O-CD2 2.91Å; T934-H1790 PolarHBondContact O-NE2 3.4Å | ||
| 935 | E | 27 | Very low | 29.9 | Very low | 90 Ų | 90 | 110.8 Ų | 110.8 | 42% | 0.421 | 67% | 0.67 | S | S | . | * | trans | -104.4 | 137.7 | -172.7 | -78.9 | 172.3 | 166.1 | 0 | 0 | 117 | H1790 R1791 | E935-H1790 HydrophobicContact CB-CB 4.12Å; E935-H1790 HydrophobicContact CG-CB 4.05Å; E935-H1790 VanDerWaalsContact CG-ND1 3.33Å; E935-H1790 WeakPolarHBondContact CG-ND1 3.31Å; E935-H1790 IonicContact OE1-ND1 2.63Å; E935-R1791 HydrophobicContact CG-CB 4.04Å; E935-R1791 WeakPolarHBondContact OE1-CD 3.13Å; E935-R1791 IonicContact OE1-CZ 2.7Å; E935-R1791 IonicContact OE1-NE 3.19Å; E935-R1791 IonicContact OE1-NH1 2.75Å; E935-R1791 PolarHBondContact OE1-NH1 3.06Å; E935-R1791 IonicContact OE2-NH1 2.76Å | ||
| 936 | E | 30 | Very low | 29.8 | Very low | 123 Ų | 123 | 112.9 Ų | 112.9 | 58% | 0.575 | 67% | 0.674 | S | S | * | * | trans | 163.1 | 143.9 | 148.4 | -89 | -72 | -83.2 | 0 | 0 | 110.9 | H1790 R1791 I1792 | E936-H1790 VanDerWaalsContact N-CB 3.3Å; E936-R1791 WeakPolarHBondContact CA-O 3.41Å; E936-R1791 PolarHBondContact N-O 2.94Å; E936-R1791 VanDerWaalsContact OE2-C 3.3Å; E936-R1791 VanDerWaalsContact OE2-O 3.07Å; E936-I1792 PolarHBondContact OE2-N 3.23Å | ||
| 937 | T | 31.6 | Very low | 29.6 | Very low | 71 Ų | 71 | 116.7 Ų | 116.7 | 44% | 0.436 | 69% | 0.687 | S | S | . | * | cis | -158.4 | -179.2 | -24.5 | -140.7 | 0 | 0 | 0 | 0 | 112.3 | H1790 | T937-H1790 CarbonylContact C-O 3.57Å; T937-H1790 VanDerWaalsContact CA-O 3.23Å; T937-H1790 WeakPolarHBondContact CA-O 3.48Å | ||
| 938 | S | 34.1 | Very low | 29.4 | Very low | 63 Ų | 63 | 123.9 Ų | 123.9 | 44% | 0.441 | 69% | 0.693 | S | S | . | * | trans | -161.2 | 155.5 | 175.7 | -179 | 0 | 0 | 0 | 0 | 112.9 | H1790 | S938-H1790 PolarHBondContact N-O 3.23Š| ||
| 939 | P | 48.4 | Very low | 29.2 | Very low | 108 Ų | 108 | 128 Ų | 128 | 70% | 0.701 | 70% | 0.698 | S | S | * | * | -155.5 | 156.4 | 125.8 | 37.8 | -19.5 | 0 | 0 | 0 | 119.8 | |||||
| 940 | E | 30.9 | Very low | 29.2 | Very low | 179 Ų | 179 | 127.5 Ų | 127.5 | 84% | 0.836 | 70% | 0.695 | S | S | * | * | trans | 65.8 | 154.4 | 144.2 | -72.1 | -179.7 | -175.5 | 0 | 0 | 122.1 | ||||
| 941 | C | 25 | Very low | 28.9 | Very low | 98 Ų | 98 | 125.4 Ų | 125.4 | 66% | 0.662 | 68% | 0.683 | S | S | * | * | cis | -147.4 | 158 | 7.6 | -139.1 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 942 | L | 26.2 | Very low | 28.8 | Very low | 154 Ų | 154 | 128.4 Ų | 128.4 | 81% | 0.806 | 68% | 0.68 | S | S | * | * | trans | -6.2 | 146.4 | 165.6 | -54.6 | 167.8 | 0 | 0 | 0 | 120.7 | ||||
| 943 | G | 25.9 | Very low | 28.6 | Very low | 70 Ų | 70 | 125.6 Ų | 125.6 | 72% | 0.722 | 67% | 0.673 | S | S | * | * | cis | -166.2 | -147.1 | 9.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | ||||
| 944 | V | 30.4 | Very low | 28.5 | Very low | 137 Ų | 137 | 129 Ų | 129 | 83% | 0.83 | 68% | 0.681 | S | S | * | * | cis | -142.7 | -117.9 | 0.8 | -163.6 | 0 | 0 | 0 | 0 | 112.2 | ||||
| 945 | T | 31.5 | Very low | 29.5 | Very low | 68 Ų | 68 | 128.7 Ų | 128.7 | 42% | 0.417 | 68% | 0.68 | S | S | . | * | trans | -157.3 | 156.3 | -163.5 | 68 | 0 | 0 | 0 | 0 | 120.7 | T1660 | T945-T1660 WeakPolarHBondContact CG2-O 3.06Š| ||
| 946 | K | 26.8 | Very low | 30.4 | Very low | 157 Ų | 157 | 130.3 Ų | 130.3 | 68% | 0.683 | 70% | 0.699 | S | S | * | * | trans | 116.7 | 112.2 | 138.3 | -77.7 | 159.9 | -171.8 | 166.6 | 0 | 122.1 | ||||
| 947 | L | 26.2 | Very low | 30.3 | Very low | 159 Ų | 159 | 131.8 Ų | 131.8 | 83% | 0.832 | 71% | 0.711 | S | S | * | * | 178.8 | 166.1 | 112.9 | -97 | 167 | 0 | 0 | 0 | 114.6 | |||||
| 948 | R | 25.7 | Very low | 30.1 | Very low | 218 Ų | 218 | 135.4 Ų | 135.4 | 82% | 0.823 | 73% | 0.726 | S | S | * | * | trans | -119.7 | 151.5 | -157.4 | -60.6 | 159.5 | 152.3 | 175.7 | -9.2 | 117 | ||||
| 949 | R | 23.9 | Very low | 30 | Very low | 234 Ų | 234 | 143 Ų | 143 | 88% | 0.883 | 75% | 0.745 | S | S | * | * | 155.7 | 131.8 | 127.1 | -84.6 | 161.7 | -178.9 | 158 | 0.4 | 112.6 | |||||
| 950 | K | 27.1 | Very low | 29.2 | Very low | 173 Ų | 173 | 145.3 Ų | 145.3 | 75% | 0.752 | 75% | 0.747 | S | S | * | * | 79.7 | 142.3 | 74.1 | -134.9 | -158.7 | 171.1 | -155.4 | 0 | 112.9 | |||||
| 951 | T | 24.2 | Very low | 29.6 | Very low | 99 Ų | 99 | 147.7 Ų | 147.7 | 61% | 0.607 | 75% | 0.748 | S | S | * | * | cis | -166.8 | 116.8 | 32.1 | -40.4 | 0 | 0 | 0 | 0 | 117.4 | ||||
| 952 | I | 24.1 | Very low | 30.3 | Very low | 137 Ų | 137 | 150.1 Ų | 150.1 | 70% | 0.703 | 76% | 0.755 | S | S | * | * | trans | 57.8 | 106.7 | 131.3 | -60.1 | 177.6 | 0 | 0 | 0 | 124.2 | ||||
| 953 | S | 24.8 | Very low | 31.2 | Very low | 99 Ų | 99 | 151.7 Ų | 151.7 | 69% | 0.692 | 75% | 0.75 | S | S | * | * | 74.9 | 143.6 | 111.9 | 103.9 | 0 | 0 | 0 | 0 | 128.9 | |||||
| 954 | M | 26.1 | Very low | 31.9 | Very low | 163 Ų | 163 | 158.5 Ų | 158.5 | 80% | 0.803 | 75% | 0.753 | S | S | * | * | trans | 80.4 | 175.9 | 143.5 | -63.6 | -72.1 | -86.7 | 0 | 0 | 120.1 | ||||
| 955 | P | 49.4 | Very low | 32.3 | Very low | 102 Ų | 102 | 163.3 Ų | 163.3 | 66% | 0.662 | 76% | 0.757 | S | S | * | * | -132.4 | -144.5 | -79.5 | 45.8 | -27.5 | 0 | 0 | 0 | 111.2 | |||||
| 956 | P | 45.5 | Very low | 33 | Very low | 124 Ų | 124 | 169.7 Ų | 169.7 | 81% | 0.805 | 77% | 0.773 | S | S | * | * | cis | -121.3 | -171.3 | -35.6 | 39.9 | -24 | 0 | 0 | 0 | 113 | ||||
| 957 | N | 29.2 | Very low | 33.9 | Very low | 155 Ų | 155 | 163.5 Ų | 163.5 | 83% | 0.829 | 75% | 0.754 | S | S | * | * | trans | -105.9 | 149.7 | -177 | -133.6 | -26.9 | 0 | 0 | 0 | 112.9 | ||||
| 958 | L | 26.6 | Very low | 34.8 | Very low | 146 Ų | 146 | 157.3 Ų | 157.3 | 76% | 0.764 | 73% | 0.729 | S | S | * | * | trans | 175.7 | 136.6 | 144 | -99.2 | 159.9 | 0 | 0 | 0 | 115.7 | ||||
| 959 | R | 32.4 | Very low | 35.4 | Very low | 222 Ų | 222 | 155.5 Ų | 155.5 | 84% | 0.838 | 72% | 0.723 | S | S | * | * | trans | 64.3 | 135.8 | 162.1 | -58.5 | -174.4 | -179.2 | -158.1 | -2 | 118.6 | ||||
| 960 | H | 32.1 | Very low | 36.6 | Very low | 157 Ų | 157 | 148.9 Ų | 148.9 | 73% | 0.727 | 70% | 0.704 | S | S | * | * | trans | -152.2 | 33.2 | -146.3 | -155.6 | 78.3 | 0 | 0 | 0 | 116.3 | ||||
| 961 | R | 38.1 | Very low | 37.7 | Very low | 229 Ų | 229 | 143.1 Ų | 143.1 | 86% | 0.864 | 69% | 0.686 | S | S | * | * | S | Bend | trans | -121.4 | -47.1 | 179.9 | -144.6 | 165.9 | -174.7 | 157.1 | 0.8 | 116 | R963 R964 | R961-R963 PolarHBondContact O-N 3.47Å; R961-R964 PolarHBondContact O-N 2.84Å |
| 962 | D | 40.6 | Very low | 39.3 | Very low | 150 Ų | 150 | 146.3 Ų | 146.3 | 80% | 0.802 | 69% | 0.688 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -20 | 180 | -57.5 | -49.8 | 0 | 0 | 0 | 113.9 | R964 | D962-R964 VanDerWaalsContact C-N 3.26Å; D962-R964 PolarHBondContact O-N 3.07Å |
| 963 | R | 44.4 | Very low | 41.1 | Very low | 186 Ų | 186 | 145.6 Ų | 145.6 | 70% | 0.702 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -67.3 | -20.2 | -178.9 | -164.1 | 173.2 | -84.2 | 156.2 | -5.7 | 113.1 | R961 R965 G967 | R961-R963 PolarHBondContact O-N 3.47Å; R963-R965 PolarHBondContact O-N 3.27Å; R963-G967 WeakPolarHBondContact O-CA 3.4Å; R963-G967 PolarHBondContact O-N 3.41Å |
| 964 | R | 42.1 | Very low | 43 | Very low | 213 Ų | 213 | 144.8 Ų | 144.8 | 80% | 0.804 | 67% | 0.673 | S | S | * | * | H | α-helix | trans | -69 | -31 | -177.3 | -81 | -163.1 | 179.5 | -159.1 | 0.5 | 115.4 | R961 D962 | R961-R964 PolarHBondContact O-N 2.84Å; D962-R964 VanDerWaalsContact C-N 3.26Å; D962-R964 PolarHBondContact O-N 3.07Å |
| 965 | R | 37.6 | Very low | 44.8 | Very low | 239 Ų | 239 | 141.2 Ų | 141.2 | 90% | 0.902 | 65% | 0.654 | S | S | * | * | H | α-helix | trans | -90.2 | -40.6 | -178 | -74.5 | -169.4 | 176.3 | -171.7 | -0.7 | 114 | R963 | R963-R965 PolarHBondContact O-N 3.27Å |
| 966 | R | 46.4 | Very low | 45.6 | Very low | 201 Ų | 201 | 141.6 Ų | 141.6 | 76% | 0.758 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -77.4 | -26 | 170.4 | -88.6 | -175.2 | -82.6 | -153.4 | -4.1 | 113.1 | G968 I970 | R966-G968 VanDerWaalsContact C-N 3.27Å; R966-G968 PolarHBondContact O-N 3.5Å; R966-I970 WeakPolarHBondContact O-CG1 3.03Å; R966-I970 PolarHBondContact O-N 3.03Å |
| 967 | G | 44.9 | Very low | 47.1 | Very low | 27 Ų | 27 | 137.2 Ų | 137.2 | 28% | 0.278 | 63% | 0.627 | S | S | . | * | H | α-helix | trans | -65 | -25.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 114 | R963 S971 | R963-G967 WeakPolarHBondContact O-CA 3.4Å; R963-G967 PolarHBondContact O-N 3.41Å; G967-S971 WeakPolarHBondContact O-CA 3.3Å; G967-S971 WeakPolarHBondContact O-CB 3.47Å; G967-S971 PolarHBondContact O-N 3.4Å |
| 968 | G | 45.3 | Very low | 49.1 | Very low | 30 Ų | 30 | 138.3 Ų | 138.3 | 31% | 0.309 | 62% | 0.62 | S | S | . | * | H | α-helix | trans | -63.7 | -55.3 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | R966 I970 S971 Y972 | R966-G968 VanDerWaalsContact C-N 3.27Å; R966-G968 PolarHBondContact O-N 3.5Å; G968-I970 PolarHBondContact O-N 3.3Å; G968-S971 WeakPolarHBondContact O-CB 3.17Å; G968-S971 PolarHBondContact O-N 2.86Å; G968-Y972 WeakPolarHBondContact O-CD2 3.4Å; G968-Y972 PolarHBondContact O-N 3.23Å |
| 969 | Y | 37.8 | Very low | 51.2 | Low | 179 Ų | 179 | 135.1 Ų | 135.1 | 70% | 0.702 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -63.4 | -43.7 | 179.7 | -151.1 | -87.7 | 0 | 0 | 0 | 111.7 | S971 Y972 E973 | Y969-S971 VanDerWaalsContact C-N 3.31Å; Y969-S971 PolarHBondContact O-N 2.96Å; Y969-Y972 PolarHBondContact O-N 2.95Å; Y969-E973 WeakPolarHBondContact O-CB 3.42Å; Y969-E973 PolarHBondContact O-N 3.48Å |
| 970 | I | 49.4 | Very low | 53.3 | Low | 95 Ų | 95 | 128.8 Ų | 128.8 | 49% | 0.487 | 59% | 0.585 | S | S | . | * | H | α-helix | trans | -67 | -31.1 | 176.3 | -61.6 | 170.3 | 0 | 0 | 0 | 111.5 | R966 G968 T974 | R966-I970 WeakPolarHBondContact O-CG1 3.03Å; R966-I970 PolarHBondContact O-N 3.03Å; G968-I970 PolarHBondContact O-N 3.3Å; I970-T974 HydrophobicContact CG2-CG2 4.16Å; I970-T974 WeakPolarHBondContact O-CB 3.26Å; I970-T974 WeakPolarHBondContact O-CG2 3.22Å; I970-T974 PolarHBondContact O-N 2.84Å; I970-T974 PolarHBondContact O-OG1 2.78Å |
| 971 | S | 50.1 | Low | 55.4 | Low | 53 Ų | 53 | 124.9 Ų | 124.9 | 37% | 0.371 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -61.2 | -60.5 | 171 | -160.2 | 0 | 0 | 0 | 0 | 108.6 | G967 G968 Y969 E973 T974 E975 | G967-S971 WeakPolarHBondContact O-CA 3.3Å; G967-S971 WeakPolarHBondContact O-CB 3.47Å; G967-S971 PolarHBondContact O-N 3.4Å; G968-S971 WeakPolarHBondContact O-CB 3.17Å; G968-S971 PolarHBondContact O-N 2.86Å; Y969-S971 VanDerWaalsContact C-N 3.31Å; Y969-S971 PolarHBondContact O-N 2.96Å; S971-E973 PolarHBondContact O-N 2.88Å; S971-E973 VanDerWaalsContact O-N 3.1Å; S971-T974 CarbonylContact O-C 3.5Å; S971-T974 PolarHBondContact O-N 3.48Å; S971-T974 PolarHBondContact O-OG1 2.78Å; S971-E975 WeakPolarHBondContact O-CB 3.4Å; S971-E975 PolarHBondContact O-N 2.83Å; S971-E975 PolarHBondContact OG-OE2 3.33Å |
| 972 | Y | 58.1 | Low | 57.4 | Low | 166 Ų | 166 | 117.5 Ų | 117.5 | 65% | 0.651 | 55% | 0.55 | S | S | * | * | H | α-helix | trans | -55.2 | -35 | 179.7 | -65.4 | -57.9 | 0 | 0 | 0 | 113.4 | G968 Y969 L976 | G968-Y972 WeakPolarHBondContact O-CD2 3.4Å; G968-Y972 PolarHBondContact O-N 3.23Å; Y969-Y972 PolarHBondContact O-N 2.95Å; Y972-L976 WeakPolarHBondContact O-CB 3.14Å; Y972-L976 WeakPolarHBondContact O-CD1 3.46Å; Y972-L976 VanDerWaalsContact O-CG 3.26Å; Y972-L976 WeakPolarHBondContact O-CG 3.48Å; Y972-L976 PolarHBondContact O-N 2.91Å |
| 973 | E | 61.6 | Low | 59.2 | Low | 122 Ų | 122 | 111.5 Ų | 111.5 | 57% | 0.57 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -75 | -35.5 | 177.6 | -163.2 | 163.6 | -150.5 | 0 | 0 | 113 | Y969 S971 G977 | Y969-E973 WeakPolarHBondContact O-CB 3.42Å; Y969-E973 PolarHBondContact O-N 3.48Å; S971-E973 PolarHBondContact O-N 2.88Å; S971-E973 VanDerWaalsContact O-N 3.1Å; E973-G977 PolarHBondContact O-N 3.15Å |
| 974 | T | 64.8 | Low | 61 | Low | 81 Ų | 81 | 107.7 Ų | 107.7 | 50% | 0.497 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -78.9 | -19.2 | 170.8 | 56.9 | 0 | 0 | 0 | 0 | 113.7 | I970 S971 R978 | I970-T974 HydrophobicContact CG2-CG2 4.16Å; I970-T974 WeakPolarHBondContact O-CB 3.26Å; I970-T974 WeakPolarHBondContact O-CG2 3.22Å; I970-T974 PolarHBondContact O-N 2.84Å; I970-T974 PolarHBondContact O-OG1 2.78Å; S971-T974 CarbonylContact O-C 3.5Å; S971-T974 PolarHBondContact O-N 3.48Å; S971-T974 PolarHBondContact O-OG1 2.78Å; T974-R978 VanDerWaalsContact O-CB 3.3Å; T974-R978 WeakPolarHBondContact O-CB 3.38Å; T974-R978 WeakPolarHBondContact O-CG 3.19Å; T974-R978 PolarHBondContact O-N 2.81Å |
| 975 | E | 64.6 | Low | 62.8 | Low | 88 Ų | 88 | 102.8 Ų | 102.8 | 41% | 0.411 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -89.3 | -39.5 | -179.7 | -157.2 | 134.9 | -125.2 | 0 | 0 | 110.1 | S971 R978 M979 | S971-E975 WeakPolarHBondContact O-CB 3.4Å; S971-E975 PolarHBondContact O-N 2.83Å; S971-E975 PolarHBondContact OG-OE2 3.33Å; E975-R978 PolarHBondContact O-N 2.84Å; E975-M979 WeakPolarHBondContact O-CG 3.24Å; E975-M979 PolarHBondContact O-N 2.88Å |
| 976 | L | 66.9 | Low | 64.7 | Low | 110 Ų | 110 | 94.2 Ų | 94.2 | 58% | 0.576 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -57.8 | -51.3 | 157.4 | -78.6 | 164.1 | 0 | 0 | 0 | 110.1 | Y972 R978 M979 D980 | Y972-L976 WeakPolarHBondContact O-CB 3.14Å; Y972-L976 WeakPolarHBondContact O-CD1 3.46Å; Y972-L976 VanDerWaalsContact O-CG 3.26Å; Y972-L976 WeakPolarHBondContact O-CG 3.48Å; Y972-L976 PolarHBondContact O-N 2.91Å; L976-R978 PolarHBondContact O-N 2.84Å; L976-M979 HydrophobicContact CD2-CE 4.02Å; L976-M979 HydrophobicContact CG-CE 4.44Å; L976-M979 CarbonylContact O-C 3.47Å; L976-M979 PolarHBondContact O-N 2.8Å; L976-M979 VanDerWaalsContact O-N 3.08Å; L976-D980 VanDerWaalsContact O-CB 3.32Å; L976-D980 WeakPolarHBondContact O-CB 2.99Å; L976-D980 PolarHBondContact O-N 3.37Å |
| 977 | G | 76.3 | Confident | 66.2 | Low | 32 Ų | 32 | 85.9 Ų | 85.9 | 33% | 0.33 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -59.4 | -29.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 114.1 | E973 S981 | E973-G977 PolarHBondContact O-N 3.15Å; G977-S981 WeakPolarHBondContact O-CB 3.43Å; G977-S981 PolarHBondContact O-N 2.91Å; G977-S981 VanDerWaalsContact O-N 3.08Å; G977-S981 PolarHBondContact O-OG 3.05Å |
| 978 | R | 70.6 | Confident | 67.9 | Low | 179 Ų | 179 | 87 Ų | 87 | 68% | 0.675 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -73.3 | -47 | 170.2 | -90.6 | 177 | 166.8 | 174.7 | -4.7 | 112.2 | T974 E975 L976 D980 S981 E982 | T974-R978 VanDerWaalsContact O-CB 3.3Å; T974-R978 WeakPolarHBondContact O-CB 3.38Å; T974-R978 WeakPolarHBondContact O-CG 3.19Å; T974-R978 PolarHBondContact O-N 2.81Å; E975-R978 PolarHBondContact O-N 2.84Å; L976-R978 PolarHBondContact O-N 2.84Å; R978-D980 VanDerWaalsContact C-N 3.26Å; R978-D980 PolarHBondContact O-N 3.17Å; R978-S981 CarbonylContact O-C 3.52Å; R978-S981 WeakPolarHBondContact O-CB 3.13Å; R978-S981 PolarHBondContact O-N 2.82Å; R978-E982 VanDerWaalsContact O-CB 3.27Å; R978-E982 WeakPolarHBondContact O-CB 3.1Å; R978-E982 PolarHBondContact O-N 3.35Å |
| 979 | M | 71 | Confident | 69.5 | Low | 79 Ų | 79 | 89.3 Ų | 89.3 | 39% | 0.389 | 44% | 0.439 | S | S | . | . | H | α-helix | trans | -61.1 | -37.9 | 173.8 | -72 | -174 | -62.1 | 0 | 0 | 110.8 | E975 L976 S981 E982 I983 | E975-M979 WeakPolarHBondContact O-CG 3.24Å; E975-M979 PolarHBondContact O-N 2.88Å; L976-M979 HydrophobicContact CD2-CE 4.02Å; L976-M979 HydrophobicContact CG-CE 4.44Å; L976-M979 CarbonylContact O-C 3.47Å; L976-M979 PolarHBondContact O-N 2.8Å; L976-M979 VanDerWaalsContact O-N 3.08Å; M979-S981 VanDerWaalsContact C-N 3.27Å; M979-S981 PolarHBondContact O-N 3.31Å; M979-E982 PolarHBondContact O-N 3.41Å; M979-I983 WeakPolarHBondContact O-CA 3.42Å; M979-I983 WeakPolarHBondContact O-CB 3.44Å; M979-I983 WeakPolarHBondContact O-CD1 3.45Å; M979-I983 WeakPolarHBondContact O-CG1 3.26Å; M979-I983 PolarHBondContact O-N 2.75Å |
| 980 | D | 76.4 | Confident | 71.5 | Confident | 88 Ų | 88 | 85.3 Ų | 85.3 | 47% | 0.471 | 42% | 0.423 | S | S | . | . | H | α-helix | trans | -66.8 | -26.9 | 174.2 | -129.2 | 44.4 | 0 | 0 | 0 | 112.9 | L976 R978 K984 | L976-D980 VanDerWaalsContact O-CB 3.32Å; L976-D980 WeakPolarHBondContact O-CB 2.99Å; L976-D980 PolarHBondContact O-N 3.37Å; R978-D980 VanDerWaalsContact C-N 3.26Å; R978-D980 PolarHBondContact O-N 3.17Å; D980-K984 WeakPolarHBondContact O-CB 3.46Å; D980-K984 WeakPolarHBondContact O-CD 3.42Å; D980-K984 WeakPolarHBondContact O-CE 3.34Å; D980-K984 WeakPolarHBondContact O-CG 3.48Å; D980-K984 PolarHBondContact O-N 2.8Å; D980-K984 PolarHBondContact O-NZ 3.05Å; D980-K984 IonicContact OD2-NZ 3.42Å; D980-K984 PolarHBondContact OD2-NZ 2.84Å |
| 981 | S | 77.1 | Confident | 73.1 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 53% | 0.531 | 41% | 0.405 | S | S | . | . | H | α-helix | trans | -85.8 | -35.9 | 175.6 | -60.9 | 0 | 0 | 0 | 0 | 111.8 | G977 R978 M979 K984 R985 | G977-S981 WeakPolarHBondContact O-CB 3.43Å; G977-S981 PolarHBondContact O-N 2.91Å; G977-S981 VanDerWaalsContact O-N 3.08Å; G977-S981 PolarHBondContact O-OG 3.05Å; R978-S981 CarbonylContact O-C 3.52Å; R978-S981 WeakPolarHBondContact O-CB 3.13Å; R978-S981 PolarHBondContact O-N 2.82Å; M979-S981 VanDerWaalsContact C-N 3.27Å; M979-S981 PolarHBondContact O-N 3.31Å; S981-K984 CarbonylContact O-C 3.57Å; S981-K984 PolarHBondContact O-N 3.33Å; S981-R985 WeakPolarHBondContact O-CB 3.41Å; S981-R985 PolarHBondContact O-N 3.01Å |
| 982 | E | 79.2 | Confident | 74.6 | Confident | 73 Ų | 73 | 83 Ų | 83 | 34% | 0.341 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -77.4 | -36.6 | 177.9 | -174.1 | 58.3 | -159.8 | 0 | 0 | 110.9 | R978 M979 R985 L986 | R978-E982 VanDerWaalsContact O-CB 3.27Å; R978-E982 WeakPolarHBondContact O-CB 3.1Å; R978-E982 PolarHBondContact O-N 3.35Å; M979-E982 PolarHBondContact O-N 3.41Å; E982-R985 CarbonylContact O-C 3.51Å; E982-R985 WeakPolarHBondContact O-CB 3.35Å; E982-R985 PolarHBondContact O-N 2.8Å; E982-R985 IonicContact OE1-CZ 3.57Å; E982-R985 IonicContact OE1-NE 3.91Å; E982-R985 PolarHBondContact OE1-NE 2.78Å; E982-R985 IonicContact OE1-NH2 3.64Å; E982-R985 PolarHBondContact OE1-NH2 3.14Å; E982-R985 WeakPolarHBondContact OE2-CD 3.46Å; E982-R985 IonicContact OE2-CZ 3.82Å; E982-R985 IonicContact OE2-NE 3Å; E982-R985 PolarHBondContact OE2-NE 2.74Å; E982-L986 HydrophobicContact CG-CD1 4.19Å; E982-L986 VanDerWaalsContact O-CB 3.29Å; E982-L986 WeakPolarHBondContact O-CB 3.44Å; E982-L986 VanDerWaalsContact O-CG 3.23Å; E982-L986 WeakPolarHBondContact O-CG 3.14Å; E982-L986 PolarHBondContact O-N 2.69Å |
| 983 | I | 78.2 | Confident | 75.7 | Confident | 25 Ų | 25 | 79.7 Ų | 79.7 | 13% | 0.128 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -59 | -51.2 | 163.9 | -71.5 | 165.1 | 0 | 0 | 0 | 108.3 | M979 R985 L986 E987 F1722 | M979-I983 WeakPolarHBondContact O-CA 3.42Å; M979-I983 WeakPolarHBondContact O-CB 3.44Å; M979-I983 WeakPolarHBondContact O-CD1 3.45Å; M979-I983 WeakPolarHBondContact O-CG1 3.26Å; M979-I983 PolarHBondContact O-N 2.75Å; I983-R985 PolarHBondContact O-N 3.47Å; I983-L986 CarbonylContact O-C 3.59Å; I983-L986 PolarHBondContact O-N 3.35Å; I983-L986 VanDerWaalsContact O-N 3.1Å; I983-E987 HydrophobicContact CG2-CG 4.07Å; I983-E987 WeakPolarHBondContact O-CB 3.38Å; I983-E987 WeakPolarHBondContact O-CG 3.49Å; I983-E987 PolarHBondContact O-N 3.02Å; I983-F1722 HydrophobicContact CG2-CD1 3.84Å; I983-F1722 HydrophobicContact CG2-CE1 3.85Å |
| 984 | K | 82.8 | Confident | 76.7 | Confident | 105 Ų | 105 | 79.6 Ų | 79.6 | 46% | 0.457 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -60.4 | -30.4 | 174.8 | -73.9 | 167.2 | -161.8 | 118.3 | 0 | 113.6 | D980 S981 A988 | D980-K984 WeakPolarHBondContact O-CB 3.46Å; D980-K984 WeakPolarHBondContact O-CD 3.42Å; D980-K984 WeakPolarHBondContact O-CE 3.34Å; D980-K984 WeakPolarHBondContact O-CG 3.48Å; D980-K984 PolarHBondContact O-N 2.8Å; D980-K984 PolarHBondContact O-NZ 3.05Å; D980-K984 IonicContact OD2-NZ 3.42Å; D980-K984 PolarHBondContact OD2-NZ 2.84Å; S981-K984 CarbonylContact O-C 3.57Å; S981-K984 PolarHBondContact O-N 3.33Å; K984-A988 WeakPolarHBondContact O-CB 3.29Å; K984-A988 PolarHBondContact O-N 3.05Å |
| 985 | R | 80.9 | Confident | 77.5 | Confident | 111 Ų | 111 | 80.7 Ų | 80.7 | 42% | 0.419 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -70.5 | -42.4 | 173.4 | -162.2 | -162.9 | 68 | 65 | 7.5 | 111.5 | S981 E982 I983 A988 E989 | S981-R985 WeakPolarHBondContact O-CB 3.41Å; S981-R985 PolarHBondContact O-N 3.01Å; E982-R985 CarbonylContact O-C 3.51Å; E982-R985 WeakPolarHBondContact O-CB 3.35Å; E982-R985 PolarHBondContact O-N 2.8Å; E982-R985 IonicContact OE1-CZ 3.57Å; E982-R985 IonicContact OE1-NE 3.91Å; E982-R985 PolarHBondContact OE1-NE 2.78Å; E982-R985 IonicContact OE1-NH2 3.64Å; E982-R985 PolarHBondContact OE1-NH2 3.14Å; E982-R985 WeakPolarHBondContact OE2-CD 3.46Å; E982-R985 IonicContact OE2-CZ 3.82Å; E982-R985 IonicContact OE2-NE 3Å; E982-R985 PolarHBondContact OE2-NE 2.74Å; I983-R985 PolarHBondContact O-N 3.47Å; R985-A988 PolarHBondContact O-N 3.43Å; R985-E989 IonicContact CZ-OE2 3.4Å; R985-E989 VanDerWaalsContact CZ-OE2 3.31Å; R985-E989 IonicContact NH1-OE2 2.69Å; R985-E989 PolarHBondContact NH1-OE2 2.81Å; R985-E989 IonicContact NH2-OE2 3.55Å; R985-E989 PolarHBondContact NH2-OE2 3.42Å; R985-E989 VanDerWaalsContact NH2-OE2 3.08Å; R985-E989 VanDerWaalsContact O-CB 3.24Å; R985-E989 WeakPolarHBondContact O-CB 3.48Å; R985-E989 PolarHBondContact O-N 3.17Å |
| 986 | L | 76.5 | Confident | 78.2 | Confident | 58 Ų | 58 | 80.3 Ų | 80.3 | 30% | 0.304 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -74.7 | -29.7 | 176.4 | -71.3 | 167.3 | 0 | 0 | 0 | 112.3 | E982 I983 R990 | E982-L986 HydrophobicContact CG-CD1 4.19Å; E982-L986 VanDerWaalsContact O-CB 3.29Å; E982-L986 WeakPolarHBondContact O-CB 3.44Å; E982-L986 VanDerWaalsContact O-CG 3.23Å; E982-L986 WeakPolarHBondContact O-CG 3.14Å; E982-L986 PolarHBondContact O-N 2.69Å; I983-L986 CarbonylContact O-C 3.59Å; I983-L986 PolarHBondContact O-N 3.35Å; I983-L986 VanDerWaalsContact O-N 3.1Å; L986-R990 WeakPolarHBondContact O-CB 3.3Å; L986-R990 PolarHBondContact O-N 2.79Å |
| 987 | E | 77.2 | Confident | 78.8 | Confident | 27 Ų | 27 | 80.3 Ų | 80.3 | 13% | 0.126 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -61.2 | -54.5 | 166.2 | -71.7 | 179.1 | 173.5 | 0 | 0 | 108.3 | I983 E989 R990 D991 Q1721 F1722 | I983-E987 HydrophobicContact CG2-CG 4.07Å; I983-E987 WeakPolarHBondContact O-CB 3.38Å; I983-E987 WeakPolarHBondContact O-CG 3.49Å; I983-E987 PolarHBondContact O-N 3.02Å; E987-E989 PolarHBondContact O-N 3.38Å; E987-R990 CarbonylContact O-C 3.56Å; E987-R990 PolarHBondContact O-N 3.1Å; E987-D991 WeakPolarHBondContact O-CB 3.5Å; E987-D991 PolarHBondContact O-N 3.32Å; E987-Q1721 HydrophobicContact CB-CG 4.24Å; E987-Q1721 HydrophobicContact CG-CB 4.4Å; E987-Q1721 HydrophobicContact CG-CG 3.54Å; E987-Q1721 WeakPolarHBondContact OE1-CG 3.33Å; E987-Q1721 PolarHBondContact OE1-NE2 3.33Å; E987-F1722 HydrophobicContact CG-CD1 4.43Å; E987-F1722 WeakPolarHBondContact OE1-CE1 3.36Å; E987-F1722 WeakPolarHBondContact OE1-CZ 3.25Å |
| 988 | A | 80.4 | Confident | 79 | Confident | 51 Ų | 51 | 83 Ų | 83 | 42% | 0.421 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 113.1 | K984 R985 D991 T992 | K984-A988 WeakPolarHBondContact O-CB 3.29Å; K984-A988 PolarHBondContact O-N 3.05Å; R985-A988 PolarHBondContact O-N 3.43Å; A988-D991 WeakPolarHBondContact O-CB 3.31Å; A988-D991 PolarHBondContact O-N 2.85Å; A988-T992 PolarHBondContact O-N 2.87Å; A988-T992 PolarHBondContact O-OG1 2.77Å |
| 989 | E | 80.6 | Confident | 79.4 | Confident | 78 Ų | 78 | 78.9 Ų | 78.9 | 36% | 0.364 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -67.6 | -45.9 | 175.2 | -177.6 | 168.3 | -159 | 0 | 0 | 110.4 | R985 E987 D991 T992 L993 | R985-E989 IonicContact CZ-OE2 3.4Å; R985-E989 VanDerWaalsContact CZ-OE2 3.31Å; R985-E989 IonicContact NH1-OE2 2.69Å; R985-E989 PolarHBondContact NH1-OE2 2.81Å; R985-E989 IonicContact NH2-OE2 3.55Å; R985-E989 PolarHBondContact NH2-OE2 3.42Å; R985-E989 VanDerWaalsContact NH2-OE2 3.08Å; R985-E989 VanDerWaalsContact O-CB 3.24Å; R985-E989 WeakPolarHBondContact O-CB 3.48Å; R985-E989 PolarHBondContact O-N 3.17Å; E987-E989 PolarHBondContact O-N 3.38Å; E989-D991 PolarHBondContact O-N 2.82Å; E989-T992 WeakPolarHBondContact CA-OG1 3.33Å; E989-T992 CarbonylContact O-C 3.55Å; E989-T992 PolarHBondContact O-N 2.88Å; E989-T992 VanDerWaalsContact O-N 3.14Å; E989-T992 PolarHBondContact O-OG1 2.96Å; E989-L993 HydrophobicContact CG-CD1 4.12Å; E989-L993 HydrophobicContact CG-CG 4.49Å; E989-L993 WeakPolarHBondContact O-CB 3.24Å; E989-L993 WeakPolarHBondContact O-CG 3.25Å; E989-L993 PolarHBondContact O-N 2.96Å |
| 990 | R | 79.6 | Confident | 79.6 | Confident | 94 Ų | 94 | 80.1 Ų | 80.1 | 36% | 0.355 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -65 | -28.5 | 172.7 | -158.7 | -161.3 | 82.6 | 158.2 | 9.3 | 112 | L986 E987 R994 K1720 Q1721 F1722 | L986-R990 WeakPolarHBondContact O-CB 3.3Å; L986-R990 PolarHBondContact O-N 2.79Å; E987-R990 CarbonylContact O-C 3.56Å; E987-R990 PolarHBondContact O-N 3.1Å; R990-R994 WeakPolarHBondContact O-CA 3.31Å; R990-R994 WeakPolarHBondContact O-CB 3.25Å; R990-R994 PolarHBondContact O-N 2.73Å; R990-K1720 PolarHBondContact NH2-O 3.18Å; R990-Q1721 VanDerWaalsContact CZ-C 3.41Å; R990-Q1721 PolarHBondContact NH1-O 3.15Å; R990-Q1721 PolarHBondContact NH2-O 2.99Å; R990-F1722 VanDerWaalsContact CD-O 3.23Å; R990-F1722 WeakPolarHBondContact CD-O 3.48Å; R990-F1722 PolarHBondContact NH1-O 3.38Å |
| 991 | D | 82.9 | Confident | 79.7 | Confident | 22 Ų | 22 | 81.9 Ų | 81.9 | 12% | 0.118 | 40% | 0.401 | C | S | . | . | H | α-helix | trans | -69.9 | -41.4 | 171.9 | -67.7 | -4.5 | 0 | 0 | 0 | 110.7 | E987 A988 E989 K995 H1719 K1720 Q1721 | E987-D991 WeakPolarHBondContact O-CB 3.5Å; E987-D991 PolarHBondContact O-N 3.32Å; A988-D991 WeakPolarHBondContact O-CB 3.31Å; A988-D991 PolarHBondContact O-N 2.85Å; E989-D991 PolarHBondContact O-N 2.82Å; D991-K995 WeakPolarHBondContact O-CB 3.45Å; D991-K995 PolarHBondContact O-N 2.76Å; D991-H1719 VanDerWaalsContact OD2-CA 3.31Å; D991-H1719 WeakPolarHBondContact OD2-CA 3.45Å; D991-H1719 IonicContact OD2-ND1 2.66Å; D991-K1720 WeakPolarHBondContact OD1-CA 3.31Å; D991-K1720 PolarHBondContact OD1-N 3.03Å; D991-K1720 VanDerWaalsContact OD1-N 3.07Å; D991-K1720 WeakPolarHBondContact OD2-CA 3.46Å; D991-Q1721 PolarHBondContact OD1-N 3.43Å |
| 992 | T | 82 | Confident | 79.8 | Confident | 79 Ų | 79 | 80.3 Ų | 80.3 | 49% | 0.485 | 39% | 0.393 | S | S | . | . | H | α-helix | trans | -68.7 | -38.7 | 172.3 | 54.2 | 0 | 0 | 0 | 0 | 112.3 | A988 E989 K995 N996 | A988-T992 PolarHBondContact O-N 2.87Å; A988-T992 PolarHBondContact O-OG1 2.77Å; E989-T992 WeakPolarHBondContact CA-OG1 3.33Å; E989-T992 CarbonylContact O-C 3.55Å; E989-T992 PolarHBondContact O-N 2.88Å; E989-T992 VanDerWaalsContact O-N 3.14Å; E989-T992 PolarHBondContact O-OG1 2.96Å; T992-K995 PolarHBondContact O-N 3.41Å; T992-N996 WeakPolarHBondContact O-CB 3.47Å; T992-N996 PolarHBondContact O-N 3.15Å; T992-N996 PolarHBondContact O-ND2 3.47Å; T992-N996 PolarHBondContact O-OD1 2.78Å |
| 993 | L | 80.4 | Confident | 79.9 | Confident | 95 Ų | 95 | 81.7 Ų | 81.7 | 50% | 0.497 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -70.1 | -37.6 | 176.2 | -71.2 | 171.9 | 0 | 0 | 0 | 111.6 | E989 N996 L997 | E989-L993 HydrophobicContact CG-CD1 4.12Å; E989-L993 HydrophobicContact CG-CG 4.49Å; E989-L993 WeakPolarHBondContact O-CB 3.24Å; E989-L993 WeakPolarHBondContact O-CG 3.25Å; E989-L993 PolarHBondContact O-N 2.96Å; L993-N996 PolarHBondContact O-N 2.92Å; L993-L997 VanDerWaalsContact O-CB 3.3Å; L993-L997 WeakPolarHBondContact O-CB 3.46Å; L993-L997 WeakPolarHBondContact O-CG 3.02Å; L993-L997 PolarHBondContact O-N 3.09Å |
| 994 | R | 81.7 | Confident | 79.8 | Confident | 120 Ų | 120 | 84.8 Ų | 84.8 | 45% | 0.453 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -66.9 | -42.9 | 172.2 | 179.4 | 177.1 | 176.4 | 138.8 | 15.2 | 110.9 | R990 N996 L997 E998 | R990-R994 WeakPolarHBondContact O-CA 3.31Å; R990-R994 WeakPolarHBondContact O-CB 3.25Å; R990-R994 PolarHBondContact O-N 2.73Å; R994-N996 VanDerWaalsContact C-N 3.35Å; R994-L997 CarbonylContact O-C 3.45Å; R994-L997 PolarHBondContact O-N 3.39Å; R994-E998 HydrophobicContact CG-CG 4.43Å; R994-E998 IonicContact CZ-OE1 3.94Å; R994-E998 IonicContact NE-OE1 2.83Å; R994-E998 PolarHBondContact NE-OE1 3.48Å; R994-E998 IonicContact NH2-OE1 3.92Å; R994-E998 PolarHBondContact NH2-OE1 3.36Å; R994-E998 WeakPolarHBondContact O-CB 3.19Å; R994-E998 WeakPolarHBondContact O-CG 3.37Å; R994-E998 PolarHBondContact O-N 2.9Å |
| 995 | K | 82.1 | Confident | 79.5 | Confident | 105 Ų | 105 | 83 Ų | 83 | 46% | 0.457 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.3 | -34.1 | 176.3 | -167.4 | 171.7 | -176.7 | -175.6 | 0 | 111.9 | D991 T992 E998 E999 S1717 | D991-K995 WeakPolarHBondContact O-CB 3.45Å; D991-K995 PolarHBondContact O-N 2.76Å; T992-K995 PolarHBondContact O-N 3.41Å; K995-E998 PolarHBondContact O-N 3.28Å; K995-E999 WeakPolarHBondContact O-CB 2.95Å; K995-E999 PolarHBondContact O-N 2.85Å; K995-S1717 PolarHBondContact NZ-O 3.5Å |
| 996 | N | 80.6 | Confident | 79.4 | Confident | 79 Ų | 79 | 83 Ų | 83 | 42% | 0.422 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -67.9 | -37 | 170.3 | -69.1 | -6.9 | 0 | 0 | 0 | 111 | T992 L993 R994 E999 I1000 | T992-N996 WeakPolarHBondContact O-CB 3.47Å; T992-N996 PolarHBondContact O-N 3.15Å; T992-N996 PolarHBondContact O-ND2 3.47Å; T992-N996 PolarHBondContact O-OD1 2.78Å; L993-N996 PolarHBondContact O-N 2.92Å; R994-N996 VanDerWaalsContact C-N 3.35Å; N996-E999 PolarHBondContact O-N 2.82Å; N996-I1000 VanDerWaalsContact O-CB 3.25Å; N996-I1000 WeakPolarHBondContact O-CB 3.41Å; N996-I1000 WeakPolarHBondContact O-CD1 3.33Å; N996-I1000 WeakPolarHBondContact O-CG1 3.38Å; N996-I1000 PolarHBondContact O-N 2.82Å |
| 997 | L | 77.9 | Confident | 79.3 | Confident | 111 Ų | 111 | 86.4 Ų | 86.4 | 58% | 0.581 | 44% | 0.435 | S | S | * | . | H | α-helix | trans | -69 | -41.7 | 172.9 | -83 | 167.2 | 0 | 0 | 0 | 111.6 | L993 R994 E999 I1000 Q1001 | L993-L997 VanDerWaalsContact O-CB 3.3Å; L993-L997 WeakPolarHBondContact O-CB 3.46Å; L993-L997 WeakPolarHBondContact O-CG 3.02Å; L993-L997 PolarHBondContact O-N 3.09Å; R994-L997 CarbonylContact O-C 3.45Å; R994-L997 PolarHBondContact O-N 3.39Å; L997-E999 VanDerWaalsContact C-N 3.29Å; L997-E999 PolarHBondContact O-N 3.38Å; L997-I1000 PolarHBondContact O-N 3.29Å; L997-Q1001 WeakPolarHBondContact O-CA 3.42Å; L997-Q1001 WeakPolarHBondContact O-CB 3.06Å; L997-Q1001 PolarHBondContact O-N 2.81Å |
| 998 | E | 80.3 | Confident | 79.1 | Confident | 87 Ų | 87 | 90.3 Ų | 90.3 | 41% | 0.407 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -67.9 | -29.2 | 173.5 | -72.5 | 169.4 | -177.3 | 0 | 0 | 111 | R994 K995 A1002 | R994-E998 HydrophobicContact CG-CG 4.43Å; R994-E998 IonicContact CZ-OE1 3.94Å; R994-E998 IonicContact NE-OE1 2.83Å; R994-E998 PolarHBondContact NE-OE1 3.48Å; R994-E998 IonicContact NH2-OE1 3.92Å; R994-E998 PolarHBondContact NH2-OE1 3.36Å; R994-E998 WeakPolarHBondContact O-CB 3.19Å; R994-E998 WeakPolarHBondContact O-CG 3.37Å; R994-E998 PolarHBondContact O-N 2.9Å; K995-E998 PolarHBondContact O-N 3.28Å; E998-A1002 WeakPolarHBondContact O-CB 3.27Å; E998-A1002 PolarHBondContact O-N 2.88Å |
| 999 | E | 79.9 | Confident | 79.1 | Confident | 94 Ų | 94 | 90 Ų | 90 | 44% | 0.439 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -78 | -36.9 | 171.9 | -168.1 | -174.9 | 139.3 | 0 | 0 | 112.4 | K995 N996 L997 K1003 | K995-E999 WeakPolarHBondContact O-CB 2.95Å; K995-E999 PolarHBondContact O-N 2.85Å; N996-E999 PolarHBondContact O-N 2.82Å; L997-E999 VanDerWaalsContact C-N 3.29Å; L997-E999 PolarHBondContact O-N 3.38Å; E999-K1003 HydrophobicContact CG-CD 4.49Å; E999-K1003 VanDerWaalsContact O-CB 3.29Å; E999-K1003 WeakPolarHBondContact O-CB 3.5Å; E999-K1003 WeakPolarHBondContact O-CD 3.14Å; E999-K1003 WeakPolarHBondContact O-CG 3.41Å; E999-K1003 PolarHBondContact O-N 3.15Å; E999-K1003 VanDerWaalsContact OE1-CE 3.29Å; E999-K1003 WeakPolarHBondContact OE1-CE 3.14Å; E999-K1003 IonicContact OE1-NZ 3.72Å; E999-K1003 PolarHBondContact OE1-NZ 3.34Å |
| 1000 | I | 74.7 | Confident | 79 | Confident | 104 Ų | 104 | 88.9 Ų | 88.9 | 53% | 0.533 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -68.5 | -38.9 | 171.9 | -74.5 | 162.8 | 0 | 0 | 0 | 110 | N996 L997 K1003 L1004 | N996-I1000 VanDerWaalsContact O-CB 3.25Å; N996-I1000 WeakPolarHBondContact O-CB 3.41Å; N996-I1000 WeakPolarHBondContact O-CD1 3.33Å; N996-I1000 WeakPolarHBondContact O-CG1 3.38Å; N996-I1000 PolarHBondContact O-N 2.82Å; L997-I1000 PolarHBondContact O-N 3.29Å; I1000-K1003 CarbonylContact O-C 3.11Å; I1000-K1003 PolarHBondContact O-N 2.72Å; I1000-L1004 WeakPolarHBondContact O-CB 3.29Å; I1000-L1004 PolarHBondContact O-N 2.84Å |
| 1001 | Q | 78 | Confident | 78.7 | Confident | 126 Ų | 126 | 90.8 Ų | 90.8 | 59% | 0.589 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -75 | -35.1 | 177.5 | -168.4 | 169 | 25.1 | 0 | 0 | 110.9 | L997 L1004 T1005 | L997-Q1001 WeakPolarHBondContact O-CA 3.42Å; L997-Q1001 WeakPolarHBondContact O-CB 3.06Å; L997-Q1001 PolarHBondContact O-N 2.81Å; Q1001-L1004 PolarHBondContact O-N 3.45Å; Q1001-T1005 WeakPolarHBondContact O-CG2 3.01Å; Q1001-T1005 PolarHBondContact O-N 2.79Å; Q1001-T1005 PolarHBondContact O-OG1 3.18Å; Q1001-T1005 VanDerWaalsContact O-OG1 3.14Å |
| 1002 | A | 80.2 | Confident | 78.4 | Confident | 42 Ų | 42 | 95 Ų | 95 | 35% | 0.347 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -66.7 | -38.6 | 168.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | E998 T1005 N1006 | E998-A1002 WeakPolarHBondContact O-CB 3.27Å; E998-A1002 PolarHBondContact O-N 2.88Å; A1002-T1005 WeakPolarHBondContact CA-OG1 2.99Å; A1002-T1005 PolarHBondContact O-OG1 3.38Å; A1002-T1005 VanDerWaalsContact O-OG1 3.05Å; A1002-N1006 WeakPolarHBondContact O-CB 3.37Å; A1002-N1006 PolarHBondContact O-N 3.26Å; A1002-N1006 PolarHBondContact O-ND2 3.48Å; A1002-N1006 VanDerWaalsContact O-ND2 3.13Å |
| 1003 | K | 81.6 | Confident | 78.1 | Confident | 103 Ų | 103 | 94.5 Ų | 94.5 | 45% | 0.448 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -63.3 | -43.5 | 170.5 | -78 | 164.8 | -171.4 | 164.6 | 0 | 111.1 | E999 I1000 N1006 E1007 | E999-K1003 HydrophobicContact CG-CD 4.49Å; E999-K1003 VanDerWaalsContact O-CB 3.29Å; E999-K1003 WeakPolarHBondContact O-CB 3.5Å; E999-K1003 WeakPolarHBondContact O-CD 3.14Å; E999-K1003 WeakPolarHBondContact O-CG 3.41Å; E999-K1003 PolarHBondContact O-N 3.15Å; E999-K1003 VanDerWaalsContact OE1-CE 3.29Å; E999-K1003 WeakPolarHBondContact OE1-CE 3.14Å; E999-K1003 IonicContact OE1-NZ 3.72Å; E999-K1003 PolarHBondContact OE1-NZ 3.34Å; I1000-K1003 CarbonylContact O-C 3.11Å; I1000-K1003 PolarHBondContact O-N 2.72Å; K1003-N1006 CarbonylContact O-C 3.51Å; K1003-N1006 PolarHBondContact O-N 3.21Å; K1003-N1006 VanDerWaalsContact O-N 3.15Å; K1003-E1007 WeakPolarHBondContact O-CB 3.31Å; K1003-E1007 WeakPolarHBondContact O-CG 3.34Å; K1003-E1007 PolarHBondContact O-N 2.97Å |
| 1004 | L | 74.8 | Confident | 78 | Confident | 90 Ų | 90 | 92.6 Ų | 92.6 | 47% | 0.471 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.8 | -48.5 | 175.7 | -169 | 72.6 | 0 | 0 | 0 | 110.4 | I1000 Q1001 N1006 E1007 E1008 | I1000-L1004 WeakPolarHBondContact O-CB 3.29Å; I1000-L1004 PolarHBondContact O-N 2.84Å; Q1001-L1004 PolarHBondContact O-N 3.45Å; L1004-N1006 PolarHBondContact O-N 2.88Å; L1004-E1007 CarbonylContact O-C 3.56Å; L1004-E1007 PolarHBondContact O-N 3.39Å; L1004-E1007 VanDerWaalsContact O-N 3.15Å; L1004-E1008 HydrophobicContact CG-CG 4.43Å; L1004-E1008 VanDerWaalsContact O-CB 3.3Å; L1004-E1008 WeakPolarHBondContact O-CB 3.21Å; L1004-E1008 VanDerWaalsContact O-CG 3.22Å; L1004-E1008 WeakPolarHBondContact O-CG 3.44Å; L1004-E1008 PolarHBondContact O-N 3.41Å |
| 1005 | T | 77.4 | Confident | 77.6 | Confident | 68 Ų | 68 | 91.9 Ų | 91.9 | 42% | 0.417 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.3 | -25.8 | 175.4 | 56.3 | 0 | 0 | 0 | 0 | 113.2 | Q1001 A1002 E1008 A1009 | Q1001-T1005 WeakPolarHBondContact O-CG2 3.01Å; Q1001-T1005 PolarHBondContact O-N 2.79Å; Q1001-T1005 PolarHBondContact O-OG1 3.18Å; Q1001-T1005 VanDerWaalsContact O-OG1 3.14Å; A1002-T1005 WeakPolarHBondContact CA-OG1 2.99Å; A1002-T1005 PolarHBondContact O-OG1 3.38Å; A1002-T1005 VanDerWaalsContact O-OG1 3.05Å; T1005-E1008 WeakPolarHBondContact CA-OE2 3.17Å; T1005-A1009 WeakPolarHBondContact O-CB 3.42Å; T1005-A1009 PolarHBondContact O-N 2.86Å |
| 1006 | N | 79.3 | Confident | 77.5 | Confident | 109 Ų | 109 | 91.8 Ų | 91.8 | 58% | 0.583 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -78.8 | -33.1 | 173.2 | -74.5 | -24.3 | 0 | 0 | 0 | 111.9 | A1002 K1003 L1004 A1010 | A1002-N1006 WeakPolarHBondContact O-CB 3.37Å; A1002-N1006 PolarHBondContact O-N 3.26Å; A1002-N1006 PolarHBondContact O-ND2 3.48Å; A1002-N1006 VanDerWaalsContact O-ND2 3.13Å; K1003-N1006 CarbonylContact O-C 3.51Å; K1003-N1006 PolarHBondContact O-N 3.21Å; K1003-N1006 VanDerWaalsContact O-N 3.15Å; L1004-N1006 PolarHBondContact O-N 2.88Å; N1006-A1010 WeakPolarHBondContact O-CA 3.17Å; N1006-A1010 WeakPolarHBondContact O-CB 3.39Å; N1006-A1010 PolarHBondContact O-N 3.31Å |
| 1007 | E | 74.3 | Confident | 77.4 | Confident | 131 Ų | 131 | 93.2 Ų | 93.2 | 61% | 0.612 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -75.2 | -36.5 | 172.8 | -78.2 | -178.2 | 172.4 | 0 | 0 | 110.9 | K1003 L1004 A1010 H1011 | K1003-E1007 WeakPolarHBondContact O-CB 3.31Å; K1003-E1007 WeakPolarHBondContact O-CG 3.34Å; K1003-E1007 PolarHBondContact O-N 2.97Å; L1004-E1007 CarbonylContact O-C 3.56Å; L1004-E1007 PolarHBondContact O-N 3.39Å; L1004-E1007 VanDerWaalsContact O-N 3.15Å; E1007-A1010 CarbonylContact O-C 3.59Å; E1007-A1010 PolarHBondContact O-N 2.73Å; E1007-H1011 VanDerWaalsContact O-CB 3.28Å; E1007-H1011 WeakPolarHBondContact O-CB 3.46Å; E1007-H1011 PolarHBondContact O-N 2.91Å |
| 1008 | E | 72.9 | Confident | 77.2 | Confident | 108 Ų | 108 | 90.8 Ų | 90.8 | 51% | 0.505 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -63.9 | -47.1 | 168.3 | -72.9 | 169.4 | 165.7 | 0 | 0 | 110.5 | L1004 T1005 A1010 H1011 E1012 | L1004-E1008 HydrophobicContact CG-CG 4.43Å; L1004-E1008 VanDerWaalsContact O-CB 3.3Å; L1004-E1008 WeakPolarHBondContact O-CB 3.21Å; L1004-E1008 VanDerWaalsContact O-CG 3.22Å; L1004-E1008 WeakPolarHBondContact O-CG 3.44Å; L1004-E1008 PolarHBondContact O-N 3.41Å; T1005-E1008 WeakPolarHBondContact CA-OE2 3.17Å; E1008-A1010 VanDerWaalsContact C-N 3.33Å; E1008-A1010 PolarHBondContact O-N 3.43Å; E1008-H1011 CarbonylContact O-C 3.51Å; E1008-H1011 PolarHBondContact O-N 3.09Å; E1008-E1012 WeakPolarHBondContact O-CB 3.27Å; E1008-E1012 PolarHBondContact O-N 3.17Å |
| 1009 | A | 79.8 | Confident | 77.1 | Confident | 44 Ų | 44 | 90.3 Ų | 90.3 | 36% | 0.364 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -69.3 | -29.8 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T1005 S1013 | T1005-A1009 WeakPolarHBondContact O-CB 3.42Å; T1005-A1009 PolarHBondContact O-N 2.86Å; A1009-S1013 WeakPolarHBondContact O-CB 3.24Å; A1009-S1013 PolarHBondContact O-N 3.45Å; A1009-S1013 PolarHBondContact O-OG 3.45Å |
| 1010 | A | 78.5 | Confident | 77 | Confident | 56 Ų | 56 | 90.2 Ų | 90.2 | 46% | 0.463 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.4 | -35.9 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.4 | N1006 E1007 E1008 S1013 A1014 | N1006-A1010 WeakPolarHBondContact O-CA 3.17Å; N1006-A1010 WeakPolarHBondContact O-CB 3.39Å; N1006-A1010 PolarHBondContact O-N 3.31Å; E1007-A1010 CarbonylContact O-C 3.59Å; E1007-A1010 PolarHBondContact O-N 2.73Å; E1008-A1010 VanDerWaalsContact C-N 3.33Å; E1008-A1010 PolarHBondContact O-N 3.43Å; A1010-S1013 CarbonylContact O-C 3.51Å; A1010-S1013 PolarHBondContact O-N 3.23Å; A1010-A1014 WeakPolarHBondContact O-CA 3.16Å; A1010-A1014 WeakPolarHBondContact O-CB 3.28Å; A1010-A1014 PolarHBondContact O-N 2.96Å |
| 1011 | H | 73 | Confident | 77.1 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 62% | 0.616 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -68.4 | -40.2 | 171 | -109.9 | -76.4 | 0 | 0 | 0 | 111.2 | E1007 E1008 S1013 A1014 M1015 | E1007-H1011 VanDerWaalsContact O-CB 3.28Å; E1007-H1011 WeakPolarHBondContact O-CB 3.46Å; E1007-H1011 PolarHBondContact O-N 2.91Å; E1008-H1011 CarbonylContact O-C 3.51Å; E1008-H1011 PolarHBondContact O-N 3.09Å; H1011-S1013 VanDerWaalsContact C-N 3.32Å; H1011-A1014 PolarHBondContact O-N 3.02Å; H1011-M1015 WeakPolarHBondContact O-CB 3.46Å; H1011-M1015 WeakPolarHBondContact O-CG 3.21Å; H1011-M1015 PolarHBondContact O-N 3Å |
| 1012 | E | 77.2 | Confident | 77 | Confident | 110 Ų | 110 | 89.5 Ų | 89.5 | 51% | 0.514 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -68.8 | -34.9 | 175.5 | -152.3 | -154 | 174.9 | 0 | 0 | 110.5 | E1008 K1016 | E1008-E1012 WeakPolarHBondContact O-CB 3.27Å; E1008-E1012 PolarHBondContact O-N 3.17Å; E1012-K1016 VanDerWaalsContact O-CB 3.26Å; E1012-K1016 WeakPolarHBondContact O-CB 3.19Å; E1012-K1016 VanDerWaalsContact O-CD 3.32Å; E1012-K1016 WeakPolarHBondContact O-CD 3.24Å; E1012-K1016 WeakPolarHBondContact O-CG 3.33Å; E1012-K1016 PolarHBondContact O-N 2.85Å; E1012-K1016 VanDerWaalsContact OE1-CE 3.25Å; E1012-K1016 WeakPolarHBondContact OE1-CE 3.4Å; E1012-K1016 IonicContact OE1-NZ 3.33Å; E1012-K1016 PolarHBondContact OE1-NZ 3.24Å; E1012-K1016 IonicContact OE2-NZ 3.32Å; E1012-K1016 PolarHBondContact OE2-NZ 3.01Å |
| 1013 | S | 75.9 | Confident | 77 | Confident | 70 Ų | 70 | 92.6 Ų | 92.6 | 49% | 0.49 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73.2 | -34.7 | 172.3 | -60.1 | 0 | 0 | 0 | 0 | 112.7 | A1009 A1010 H1011 K1016 E1017 | A1009-S1013 WeakPolarHBondContact O-CB 3.24Å; A1009-S1013 PolarHBondContact O-N 3.45Å; A1009-S1013 PolarHBondContact O-OG 3.45Å; A1010-S1013 CarbonylContact O-C 3.51Å; A1010-S1013 PolarHBondContact O-N 3.23Å; H1011-S1013 VanDerWaalsContact C-N 3.32Å; S1013-K1016 PolarHBondContact O-N 2.71Å; S1013-E1017 WeakPolarHBondContact O-CB 3.32Å; S1013-E1017 PolarHBondContact O-N 3.48Å |
| 1014 | A | 78.1 | Confident | 76.9 | Confident | 54 Ų | 54 | 93.7 Ų | 93.7 | 45% | 0.446 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -75.4 | -33.5 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | A1010 H1011 E1017 S1018 | A1010-A1014 WeakPolarHBondContact O-CA 3.16Å; A1010-A1014 WeakPolarHBondContact O-CB 3.28Å; A1010-A1014 PolarHBondContact O-N 2.96Å; H1011-A1014 PolarHBondContact O-N 3.02Å; A1014-E1017 PolarHBondContact O-N 3.25Å; A1014-S1018 WeakPolarHBondContact O-CB 3.36Å; A1014-S1018 PolarHBondContact O-N 3.11Å |
| 1015 | M | 74.2 | Confident | 77.1 | Confident | 106 Ų | 106 | 95 Ų | 95 | 52% | 0.522 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.6 | -44 | 167.8 | -76.8 | -64 | -63.5 | 0 | 0 | 110.3 | H1011 E1017 S1018 D1019 | H1011-M1015 WeakPolarHBondContact O-CB 3.46Å; H1011-M1015 WeakPolarHBondContact O-CG 3.21Å; H1011-M1015 PolarHBondContact O-N 3Å; M1015-E1017 VanDerWaalsContact C-N 3.35Å; M1015-E1017 PolarHBondContact O-N 3.19Å; M1015-S1018 CarbonylContact O-C 3.54Å; M1015-S1018 PolarHBondContact O-N 2.73Å; M1015-S1018 VanDerWaalsContact O-N 3.16Å; M1015-D1019 WeakPolarHBondContact O-CB 3.06Å; M1015-D1019 PolarHBondContact O-N 3.45Å |
| 1016 | K | 78.6 | Confident | 77.1 | Confident | 103 Ų | 103 | 96.6 Ų | 96.6 | 45% | 0.448 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.1 | -38.7 | 172.4 | -74.9 | 162.8 | -170.5 | 167.3 | 0 | 111.9 | E1012 S1013 E1020 | E1012-K1016 VanDerWaalsContact O-CB 3.26Å; E1012-K1016 WeakPolarHBondContact O-CB 3.19Å; E1012-K1016 VanDerWaalsContact O-CD 3.32Å; E1012-K1016 WeakPolarHBondContact O-CD 3.24Å; E1012-K1016 WeakPolarHBondContact O-CG 3.33Å; E1012-K1016 PolarHBondContact O-N 2.85Å; E1012-K1016 VanDerWaalsContact OE1-CE 3.25Å; E1012-K1016 WeakPolarHBondContact OE1-CE 3.4Å; E1012-K1016 IonicContact OE1-NZ 3.33Å; E1012-K1016 PolarHBondContact OE1-NZ 3.24Å; E1012-K1016 IonicContact OE2-NZ 3.32Å; E1012-K1016 PolarHBondContact OE2-NZ 3.01Å; S1013-K1016 PolarHBondContact O-N 2.71Å; K1016-E1020 WeakPolarHBondContact O-CB 3.47Å; K1016-E1020 PolarHBondContact O-N 2.87Å |
| 1017 | E | 78.1 | Confident | 77.1 | Confident | 109 Ų | 109 | 95.1 Ų | 95.1 | 51% | 0.509 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -67.7 | -37.1 | 171 | -92.4 | -157 | -146.1 | 0 | 0 | 112.4 | S1013 A1014 M1015 E1020 R1021 | S1013-E1017 WeakPolarHBondContact O-CB 3.32Å; S1013-E1017 PolarHBondContact O-N 3.48Å; A1014-E1017 PolarHBondContact O-N 3.25Å; M1015-E1017 VanDerWaalsContact C-N 3.35Å; M1015-E1017 PolarHBondContact O-N 3.19Å; E1017-E1020 PolarHBondContact O-N 2.83Å; E1017-R1021 WeakPolarHBondContact O-CB 3.43Å; E1017-R1021 WeakPolarHBondContact O-CD 3.4Å; E1017-R1021 WeakPolarHBondContact O-CG 3.4Å; E1017-R1021 PolarHBondContact O-N 2.91Å; E1017-R1021 IonicContact OE2-CZ 2.65Å; E1017-R1021 IonicContact OE2-NE 3.75Å; E1017-R1021 PolarHBondContact OE2-NE 2.88Å; E1017-R1021 IonicContact OE2-NH2 3.51Å; E1017-R1021 PolarHBondContact OE2-NH2 2.78Å |
| 1018 | S | 73.9 | Confident | 77.4 | Confident | 59 Ų | 59 | 93.3 Ų | 93.3 | 41% | 0.413 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -66.9 | -42.3 | 176.1 | -167.7 | 0 | 0 | 0 | 0 | 111.1 | A1014 M1015 S1022 | A1014-S1018 WeakPolarHBondContact O-CB 3.36Å; A1014-S1018 PolarHBondContact O-N 3.11Å; M1015-S1018 CarbonylContact O-C 3.54Å; M1015-S1018 PolarHBondContact O-N 2.73Å; M1015-S1018 VanDerWaalsContact O-N 3.16Å; S1018-S1022 WeakPolarHBondContact O-CB 3.26Å; S1018-S1022 PolarHBondContact O-N 3.35Å; S1018-S1022 PolarHBondContact O-OG 3.2Å |
| 1019 | D | 78.1 | Confident | 77.7 | Confident | 77 Ų | 77 | 91.9 Ų | 91.9 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.3 | -42.7 | 172.7 | -81.5 | -3.9 | 0 | 0 | 0 | 111.3 | M1015 S1022 K1023 | M1015-D1019 WeakPolarHBondContact O-CB 3.06Å; M1015-D1019 PolarHBondContact O-N 3.45Å; D1019-S1022 CarbonylContact O-C 3.29Å; D1019-S1022 WeakPolarHBondContact O-CB 3.26Å; D1019-S1022 PolarHBondContact O-N 2.8Å; D1019-K1023 WeakPolarHBondContact O-CB 3.45Å; D1019-K1023 VanDerWaalsContact O-CG 3.27Å; D1019-K1023 WeakPolarHBondContact O-CG 3.32Å; D1019-K1023 PolarHBondContact O-N 3.45Å |
| 1020 | E | 79.5 | Confident | 77.9 | Confident | 92 Ų | 92 | 93.5 Ų | 93.5 | 43% | 0.43 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -77.2 | -31.3 | 179.8 | -128.6 | 64.9 | -167 | 0 | 0 | 112.2 | K1016 E1017 S1022 K1023 Q1024 | K1016-E1020 WeakPolarHBondContact O-CB 3.47Å; K1016-E1020 PolarHBondContact O-N 2.87Å; E1017-E1020 PolarHBondContact O-N 2.83Å; E1020-S1022 VanDerWaalsContact C-N 3.32Å; E1020-K1023 IonicContact OE1-NZ 2.73Å; E1020-K1023 WeakPolarHBondContact OE2-CD 3.45Å; E1020-K1023 IonicContact OE2-NZ 3.78Å; E1020-K1023 PolarHBondContact OE2-NZ 2.68Å; E1020-Q1024 VanDerWaalsContact O-CB 3.24Å; E1020-Q1024 WeakPolarHBondContact O-CB 3.34Å; E1020-Q1024 WeakPolarHBondContact O-CG 3.08Å; E1020-Q1024 PolarHBondContact O-N 3.48Å |
| 1021 | R | 76.6 | Confident | 78 | Confident | 161 Ų | 161 | 94 Ų | 94 | 61% | 0.608 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -64.1 | -38.5 | 165.3 | -72.5 | 166 | -167.6 | -153.9 | 8.3 | 110.4 | E1017 Q1024 K1025 | E1017-R1021 WeakPolarHBondContact O-CB 3.43Å; E1017-R1021 WeakPolarHBondContact O-CD 3.4Å; E1017-R1021 WeakPolarHBondContact O-CG 3.4Å; E1017-R1021 PolarHBondContact O-N 2.91Å; E1017-R1021 IonicContact OE2-CZ 2.65Å; E1017-R1021 IonicContact OE2-NE 3.75Å; E1017-R1021 PolarHBondContact OE2-NE 2.88Å; E1017-R1021 IonicContact OE2-NH2 3.51Å; E1017-R1021 PolarHBondContact OE2-NH2 2.78Å; R1021-Q1024 PolarHBondContact O-N 3.31Å; R1021-K1025 VanDerWaalsContact O-CB 3.3Å; R1021-K1025 WeakPolarHBondContact O-CB 3.39Å; R1021-K1025 PolarHBondContact O-N 2.87Å |
| 1022 | S | 74.6 | Confident | 78.5 | Confident | 55 Ų | 55 | 92 Ų | 92 | 39% | 0.385 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -69.7 | -41.3 | 175.9 | -63.4 | 0 | 0 | 0 | 0 | 111.7 | S1018 D1019 E1020 K1025 I1026 | S1018-S1022 WeakPolarHBondContact O-CB 3.26Å; S1018-S1022 PolarHBondContact O-N 3.35Å; S1018-S1022 PolarHBondContact O-OG 3.2Å; D1019-S1022 CarbonylContact O-C 3.29Å; D1019-S1022 WeakPolarHBondContact O-CB 3.26Å; D1019-S1022 PolarHBondContact O-N 2.8Å; E1020-S1022 VanDerWaalsContact C-N 3.32Å; S1022-K1025 CarbonylContact O-C 3.53Å; S1022-K1025 PolarHBondContact O-N 3.46Å; S1022-I1026 WeakPolarHBondContact O-CB 3.23Å; S1022-I1026 WeakPolarHBondContact O-CD1 3.47Å; S1022-I1026 WeakPolarHBondContact O-CG1 3.37Å; S1022-I1026 PolarHBondContact O-N 3.22Å |
| 1023 | K | 80.1 | Confident | 78.7 | Confident | 106 Ų | 106 | 90.2 Ų | 90.2 | 46% | 0.461 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -67.5 | -35.9 | 172.2 | -71 | 169 | -152.9 | 153.8 | 0 | 111.9 | D1019 E1020 S1027 | D1019-K1023 WeakPolarHBondContact O-CB 3.45Å; D1019-K1023 VanDerWaalsContact O-CG 3.27Å; D1019-K1023 WeakPolarHBondContact O-CG 3.32Å; D1019-K1023 PolarHBondContact O-N 3.45Å; E1020-K1023 IonicContact OE1-NZ 2.73Å; E1020-K1023 WeakPolarHBondContact OE2-CD 3.45Å; E1020-K1023 IonicContact OE2-NZ 3.78Å; E1020-K1023 PolarHBondContact OE2-NZ 2.68Å; K1023-S1027 WeakPolarHBondContact O-CB 2.83Å; K1023-S1027 PolarHBondContact O-N 3.29Å |
| 1024 | Q | 79.8 | Confident | 79.1 | Confident | 127 Ų | 127 | 91.2 Ų | 91.2 | 59% | 0.593 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.6 | -43.4 | 170.1 | -77.5 | 171 | 26.4 | 0 | 0 | 110.6 | E1020 R1021 S1027 Q1028 | E1020-Q1024 VanDerWaalsContact O-CB 3.24Å; E1020-Q1024 WeakPolarHBondContact O-CB 3.34Å; E1020-Q1024 WeakPolarHBondContact O-CG 3.08Å; E1020-Q1024 PolarHBondContact O-N 3.48Å; R1021-Q1024 PolarHBondContact O-N 3.31Å; Q1024-S1027 CarbonylContact O-C 3.59Å; Q1024-S1027 PolarHBondContact O-N 3.34Å; Q1024-Q1028 WeakPolarHBondContact O-CB 3.18Å; Q1024-Q1028 PolarHBondContact O-N 2.76Å |
| 1025 | K | 78.4 | Confident | 79.4 | Confident | 116 Ų | 116 | 95.1 Ų | 95.1 | 50% | 0.504 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -65.9 | -41 | 176.8 | -163.1 | 68.6 | 178.8 | 172.7 | 0 | 111.8 | R1021 S1022 Q1028 L1029 | R1021-K1025 VanDerWaalsContact O-CB 3.3Å; R1021-K1025 WeakPolarHBondContact O-CB 3.39Å; R1021-K1025 PolarHBondContact O-N 2.87Å; S1022-K1025 CarbonylContact O-C 3.53Å; S1022-K1025 PolarHBondContact O-N 3.46Å; K1025-Q1028 PolarHBondContact O-N 3.1Å; K1025-L1029 HydrophobicContact CG-CD1 4.34Å; K1025-L1029 VanDerWaalsContact O-CB 3.3Å; K1025-L1029 WeakPolarHBondContact O-CB 3.44Å; K1025-L1029 WeakPolarHBondContact O-CG 3.23Å; K1025-L1029 PolarHBondContact O-N 2.87Å |
| 1026 | I | 77.6 | Confident | 79.6 | Confident | 102 Ų | 102 | 95.1 Ų | 95.1 | 52% | 0.523 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -64.5 | -44.7 | 172.8 | -70.4 | 162.4 | 0 | 0 | 0 | 110.2 | S1022 Q1028 L1029 D1030 | S1022-I1026 WeakPolarHBondContact O-CB 3.23Å; S1022-I1026 WeakPolarHBondContact O-CD1 3.47Å; S1022-I1026 WeakPolarHBondContact O-CG1 3.37Å; S1022-I1026 PolarHBondContact O-N 3.22Å; I1026-Q1028 VanDerWaalsContact C-N 3.31Å; I1026-Q1028 PolarHBondContact O-N 3.22Å; I1026-L1029 CarbonylContact O-C 3.36Å; I1026-L1029 PolarHBondContact O-N 2.81Å; I1026-D1030 WeakPolarHBondContact O-CB 3.11Å; I1026-D1030 PolarHBondContact O-N 3.36Å |
| 1027 | S | 80 | Confident | 79.7 | Confident | 78 Ų | 78 | 95 Ų | 95 | 55% | 0.545 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.2 | -31.7 | 175.8 | -176.5 | 0 | 0 | 0 | 0 | 112.8 | K1023 Q1024 S1031 | K1023-S1027 WeakPolarHBondContact O-CB 2.83Å; K1023-S1027 PolarHBondContact O-N 3.29Å; Q1024-S1027 CarbonylContact O-C 3.59Å; Q1024-S1027 PolarHBondContact O-N 3.34Å; S1027-S1031 WeakPolarHBondContact O-CB 3.29Å; S1027-S1031 PolarHBondContact O-N 3.39Å |
| 1028 | Q | 81.2 | Confident | 79.9 | Confident | 93 Ų | 93 | 92 Ų | 92 | 44% | 0.435 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.7 | -48.3 | 175.2 | -173.2 | 173.4 | 47 | 0 | 0 | 109.6 | Q1024 K1025 I1026 D1030 S1031 E1032 | Q1024-Q1028 WeakPolarHBondContact O-CB 3.18Å; Q1024-Q1028 PolarHBondContact O-N 2.76Å; K1025-Q1028 PolarHBondContact O-N 3.1Å; I1026-Q1028 VanDerWaalsContact C-N 3.31Å; I1026-Q1028 PolarHBondContact O-N 3.22Å; Q1028-D1030 VanDerWaalsContact C-N 3.33Å; Q1028-D1030 PolarHBondContact O-N 2.88Å; Q1028-S1031 CarbonylContact O-C 3.53Å; Q1028-S1031 WeakPolarHBondContact O-CA 3.1Å; Q1028-S1031 WeakPolarHBondContact O-CB 3.36Å; Q1028-S1031 PolarHBondContact O-N 2.78Å; Q1028-S1031 PolarHBondContact O-OG 3.05Å; Q1028-E1032 WeakPolarHBondContact O-CG 3.17Å; Q1028-E1032 PolarHBondContact O-N 2.91Å |
| 1029 | L | 79.5 | Confident | 80.4 | Confident | 79 Ų | 79 | 92.1 Ų | 92.1 | 41% | 0.414 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -60.1 | -38 | 171.7 | -72.8 | 168.6 | 0 | 0 | 0 | 112.1 | K1025 I1026 E1032 I1033 | K1025-L1029 HydrophobicContact CG-CD1 4.34Å; K1025-L1029 VanDerWaalsContact O-CB 3.3Å; K1025-L1029 WeakPolarHBondContact O-CB 3.44Å; K1025-L1029 WeakPolarHBondContact O-CG 3.23Å; K1025-L1029 PolarHBondContact O-N 2.87Å; I1026-L1029 CarbonylContact O-C 3.36Å; I1026-L1029 PolarHBondContact O-N 2.81Å; L1029-E1032 PolarHBondContact O-N 2.9Å; L1029-I1033 WeakPolarHBondContact O-CB 3.36Å; L1029-I1033 WeakPolarHBondContact O-CD1 3.35Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.34Å; L1029-I1033 PolarHBondContact O-N 3.27Å |
| 1030 | D | 82.5 | Confident | 80.5 | Confident | 77 Ų | 77 | 93.8 Ų | 93.8 | 41% | 0.412 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -68.3 | -35.6 | 173 | -105.3 | -37.2 | 0 | 0 | 0 | 111.2 | I1026 Q1028 N1034 | I1026-D1030 WeakPolarHBondContact O-CB 3.11Å; I1026-D1030 PolarHBondContact O-N 3.36Å; Q1028-D1030 VanDerWaalsContact C-N 3.33Å; Q1028-D1030 PolarHBondContact O-N 2.88Å; D1030-N1034 WeakPolarHBondContact O-CB 3.33Å; D1030-N1034 VanDerWaalsContact O-CG 3.25Å; D1030-N1034 PolarHBondContact O-N 2.9Å; D1030-N1034 PolarHBondContact O-ND2 2.89Å |
| 1031 | S | 80.9 | Confident | 80.6 | Confident | 68 Ų | 68 | 98.2 Ų | 98.2 | 48% | 0.476 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -67.3 | -39.5 | 173.3 | 82 | 0 | 0 | 0 | 0 | 111.8 | S1027 Q1028 N1034 H1035 | S1027-S1031 WeakPolarHBondContact O-CB 3.29Å; S1027-S1031 PolarHBondContact O-N 3.39Å; Q1028-S1031 CarbonylContact O-C 3.53Å; Q1028-S1031 WeakPolarHBondContact O-CA 3.1Å; Q1028-S1031 WeakPolarHBondContact O-CB 3.36Å; Q1028-S1031 PolarHBondContact O-N 2.78Å; Q1028-S1031 PolarHBondContact O-OG 3.05Å; S1031-N1034 PolarHBondContact O-N 3.16Å; S1031-H1035 WeakPolarHBondContact O-CB 3.49Å; S1031-H1035 PolarHBondContact O-N 3.16Å |
| 1032 | E | 82.9 | Confident | 80.8 | Confident | 91 Ų | 91 | 95.9 Ų | 95.9 | 43% | 0.425 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -68.4 | -45.1 | 174.2 | -73.8 | 171.1 | -161.8 | 0 | 0 | 111.2 | Q1028 L1029 N1034 H1035 L1036 | Q1028-E1032 WeakPolarHBondContact O-CG 3.17Å; Q1028-E1032 PolarHBondContact O-N 2.91Å; L1029-E1032 PolarHBondContact O-N 2.9Å; E1032-N1034 VanDerWaalsContact C-N 3.29Å; E1032-N1034 PolarHBondContact O-N 2.91Å; E1032-H1035 CarbonylContact O-C 3.36Å; E1032-H1035 PolarHBondContact O-N 2.85Å; E1032-H1035 VanDerWaalsContact O-N 3.17Å; E1032-L1036 VanDerWaalsContact O-CB 3.3Å; E1032-L1036 WeakPolarHBondContact O-CB 3.37Å; E1032-L1036 VanDerWaalsContact O-CG 3.25Å; E1032-L1036 WeakPolarHBondContact O-CG 3.17Å; E1032-L1036 PolarHBondContact O-N 3.47Å |
| 1033 | I | 82.3 | Confident | 80.4 | Confident | 72 Ų | 72 | 96.2 Ų | 96.2 | 37% | 0.369 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -61.3 | -38.5 | 174.2 | -75.7 | 165.5 | 0 | 0 | 0 | 110.3 | L1029 K1037 | L1029-I1033 WeakPolarHBondContact O-CB 3.36Å; L1029-I1033 WeakPolarHBondContact O-CD1 3.35Å; L1029-I1033 WeakPolarHBondContact O-CG1 3.34Å; L1029-I1033 PolarHBondContact O-N 3.27Å; I1033-K1037 HydrophobicContact CG2-CD 3.84Å; I1033-K1037 HydrophobicContact CG2-CG 4.47Å; I1033-K1037 VanDerWaalsContact O-CB 3.24Å; I1033-K1037 WeakPolarHBondContact O-CB 3.33Å; I1033-K1037 WeakPolarHBondContact O-CD 3.36Å; I1033-K1037 WeakPolarHBondContact O-CG 3.43Å; I1033-K1037 PolarHBondContact O-N 3.12Å |
| 1034 | N | 84.2 | Confident | 80.1 | Confident | 90 Ų | 90 | 94 Ų | 94 | 48% | 0.481 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -73.2 | -34.8 | 174.7 | -75.8 | -53 | 0 | 0 | 0 | 112.3 | D1030 S1031 E1032 K1037 A1038 | D1030-N1034 WeakPolarHBondContact O-CB 3.33Å; D1030-N1034 VanDerWaalsContact O-CG 3.25Å; D1030-N1034 PolarHBondContact O-N 2.9Å; D1030-N1034 PolarHBondContact O-ND2 2.89Å; S1031-N1034 PolarHBondContact O-N 3.16Å; E1032-N1034 VanDerWaalsContact C-N 3.29Å; E1032-N1034 PolarHBondContact O-N 2.91Å; N1034-K1037 PolarHBondContact O-N 3.19Å; N1034-A1038 WeakPolarHBondContact O-CB 3.44Å; N1034-A1038 PolarHBondContact O-N 3.49Å |
| 1035 | H | 84.2 | Confident | 80.1 | Confident | 136 Ų | 136 | 94 Ų | 94 | 63% | 0.63 | 49% | 0.487 | S | S | * | . | H | α-helix | trans | -66.9 | -41.1 | 171.5 | -171.7 | -6.1 | 0 | 0 | 0 | 111.6 | S1031 E1032 A1038 S1039 | S1031-H1035 WeakPolarHBondContact O-CB 3.49Å; S1031-H1035 PolarHBondContact O-N 3.16Å; E1032-H1035 CarbonylContact O-C 3.36Å; E1032-H1035 PolarHBondContact O-N 2.85Å; E1032-H1035 VanDerWaalsContact O-N 3.17Å; H1035-A1038 CarbonylContact O-C 3.51Å; H1035-A1038 WeakPolarHBondContact O-CB 3.42Å; H1035-A1038 PolarHBondContact O-N 3.46Å; H1035-S1039 WeakPolarHBondContact O-CB 3.29Å; H1035-S1039 PolarHBondContact O-N 3.47Å |
| 1036 | L | 77.5 | Confident | 80.1 | Confident | 107 Ų | 107 | 92.4 Ų | 92.4 | 56% | 0.56 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -67.2 | -42.5 | 174.1 | -72.3 | 169.8 | 0 | 0 | 0 | 110.7 | E1032 A1038 S1039 I1040 | E1032-L1036 VanDerWaalsContact O-CB 3.3Å; E1032-L1036 WeakPolarHBondContact O-CB 3.37Å; E1032-L1036 VanDerWaalsContact O-CG 3.25Å; E1032-L1036 WeakPolarHBondContact O-CG 3.17Å; E1032-L1036 PolarHBondContact O-N 3.47Å; L1036-A1038 VanDerWaalsContact C-N 3.28Å; L1036-A1038 PolarHBondContact O-N 3.29Å; L1036-S1039 PolarHBondContact O-N 3.22Å; L1036-I1040 VanDerWaalsContact O-CB 3.27Å; L1036-I1040 WeakPolarHBondContact O-CB 3.48Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.11Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.46Å; L1036-I1040 PolarHBondContact O-N 3.26Å |
| 1037 | K | 81.3 | Confident | 79.9 | Confident | 101 Ų | 101 | 90.3 Ų | 90.3 | 44% | 0.439 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -60.2 | -36.7 | 170.3 | -76 | 162.8 | -178.2 | 166.1 | 0 | 111.7 | I1033 N1034 R1041 | I1033-K1037 HydrophobicContact CG2-CD 3.84Å; I1033-K1037 HydrophobicContact CG2-CG 4.47Å; I1033-K1037 VanDerWaalsContact O-CB 3.24Å; I1033-K1037 WeakPolarHBondContact O-CB 3.33Å; I1033-K1037 WeakPolarHBondContact O-CD 3.36Å; I1033-K1037 WeakPolarHBondContact O-CG 3.43Å; I1033-K1037 PolarHBondContact O-N 3.12Å; N1034-K1037 PolarHBondContact O-N 3.19Å; K1037-R1041 WeakPolarHBondContact O-CB 3.3Å; K1037-R1041 WeakPolarHBondContact O-CD 3.16Å; K1037-R1041 WeakPolarHBondContact O-CG 3.47Å; K1037-R1041 PolarHBondContact O-N 2.77Å |
| 1038 | A | 82.7 | Confident | 79.8 | Confident | 45 Ų | 45 | 93.7 Ų | 93.7 | 37% | 0.372 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.9 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | N1034 H1035 L1036 R1041 L1042 | N1034-A1038 WeakPolarHBondContact O-CB 3.44Å; N1034-A1038 PolarHBondContact O-N 3.49Å; H1035-A1038 CarbonylContact O-C 3.51Å; H1035-A1038 WeakPolarHBondContact O-CB 3.42Å; H1035-A1038 PolarHBondContact O-N 3.46Å; L1036-A1038 VanDerWaalsContact C-N 3.28Å; L1036-A1038 PolarHBondContact O-N 3.29Å; A1038-R1041 PolarHBondContact O-N 2.65Å; A1038-L1042 WeakPolarHBondContact O-CG 3.36Å; A1038-L1042 PolarHBondContact O-N 2.87Å |
| 1039 | S | 83.6 | Confident | 79.4 | Confident | 62 Ų | 62 | 94 Ų | 94 | 43% | 0.434 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -64.9 | -42.1 | 176.3 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | H1035 L1036 L1042 S1043 | H1035-S1039 WeakPolarHBondContact O-CB 3.29Å; H1035-S1039 PolarHBondContact O-N 3.47Å; L1036-S1039 PolarHBondContact O-N 3.22Å; S1039-L1042 PolarHBondContact O-N 3.47Å; S1039-S1043 VanDerWaalsContact O-CB 3.27Å; S1039-S1043 WeakPolarHBondContact O-CB 3.28Å; S1039-S1043 PolarHBondContact O-N 2.91Å |
| 1040 | I | 80.1 | Confident | 78.7 | Confident | 111 Ų | 111 | 94.3 Ų | 94.3 | 57% | 0.569 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -61.4 | -45 | 170.1 | -70 | 164.8 | 0 | 0 | 0 | 109.9 | L1036 L1042 S1043 D1044 | L1036-I1040 VanDerWaalsContact O-CB 3.27Å; L1036-I1040 WeakPolarHBondContact O-CB 3.48Å; L1036-I1040 WeakPolarHBondContact O-CD1 3.11Å; L1036-I1040 WeakPolarHBondContact O-CG1 3.46Å; L1036-I1040 PolarHBondContact O-N 3.26Å; I1040-L1042 VanDerWaalsContact C-N 3.34Å; I1040-L1042 PolarHBondContact O-N 3.36Å; I1040-S1043 CarbonylContact O-C 3.4Å; I1040-S1043 PolarHBondContact O-N 2.88Å; I1040-D1044 WeakPolarHBondContact O-CB 3.47Å; I1040-D1044 PolarHBondContact O-N 2.83Å |
| 1041 | R | 81.7 | Confident | 77.8 | Confident | 185 Ų | 185 | 98.1 Ų | 98.1 | 70% | 0.698 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -63 | -35.8 | 176 | -78.3 | 168.3 | 178.4 | -177.5 | 0.4 | 113.4 | K1037 A1038 Q1045 | K1037-R1041 WeakPolarHBondContact O-CB 3.3Å; K1037-R1041 WeakPolarHBondContact O-CD 3.16Å; K1037-R1041 WeakPolarHBondContact O-CG 3.47Å; K1037-R1041 PolarHBondContact O-N 2.77Å; A1038-R1041 PolarHBondContact O-N 2.65Å; R1041-Q1045 WeakPolarHBondContact O-CG 3.26Å; R1041-Q1045 PolarHBondContact O-N 3.38Å |
| 1042 | L | 81.4 | Confident | 77.1 | Confident | 112 Ų | 112 | 101.3 Ų | 101.3 | 59% | 0.586 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -70.5 | -46 | 174.1 | -72 | 169.5 | 0 | 0 | 0 | 111.1 | A1038 S1039 I1040 D1044 Q1045 E1046 | A1038-L1042 WeakPolarHBondContact O-CG 3.36Å; A1038-L1042 PolarHBondContact O-N 2.87Å; S1039-L1042 PolarHBondContact O-N 3.47Å; I1040-L1042 VanDerWaalsContact C-N 3.34Å; I1040-L1042 PolarHBondContact O-N 3.36Å; L1042-D1044 VanDerWaalsContact C-N 3.26Å; L1042-D1044 PolarHBondContact O-N 3.36Å; L1042-Q1045 WeakPolarHBondContact O-CB 3.25Å; L1042-Q1045 PolarHBondContact O-N 2.81Å; L1042-Q1045 VanDerWaalsContact O-N 3.16Å; L1042-E1046 WeakPolarHBondContact O-CB 3.31Å; L1042-E1046 PolarHBondContact O-N 2.74Å |
| 1043 | S | 66.8 | Low | 75.9 | Confident | 62 Ų | 62 | 101 Ų | 101 | 43% | 0.434 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.1 | -40 | 171.6 | -177.3 | 0 | 0 | 0 | 0 | 111.3 | S1039 I1040 E1046 I1047 | S1039-S1043 VanDerWaalsContact O-CB 3.27Å; S1039-S1043 WeakPolarHBondContact O-CB 3.28Å; S1039-S1043 PolarHBondContact O-N 2.91Å; I1040-S1043 CarbonylContact O-C 3.4Å; I1040-S1043 PolarHBondContact O-N 2.88Å; S1043-E1046 CarbonylContact O-C 3.51Å; S1043-E1046 PolarHBondContact O-N 2.67Å; S1043-I1047 VanDerWaalsContact O-CB 3.26Å; S1043-I1047 WeakPolarHBondContact O-CB 3.31Å; S1043-I1047 WeakPolarHBondContact O-CD1 3.44Å; S1043-I1047 WeakPolarHBondContact O-CG1 3.3Å; S1043-I1047 PolarHBondContact O-N 2.84Å |
| 1044 | D | 74 | Confident | 74.5 | Confident | 60 Ų | 60 | 102 Ų | 102 | 32% | 0.321 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -74 | -30.2 | 179 | -150.8 | 50.2 | 0 | 0 | 0 | 112 | I1040 L1042 R1048 | I1040-D1044 WeakPolarHBondContact O-CB 3.47Å; I1040-D1044 PolarHBondContact O-N 2.83Å; L1042-D1044 VanDerWaalsContact C-N 3.26Å; L1042-D1044 PolarHBondContact O-N 3.36Å; D1044-R1048 VanDerWaalsContact O-CB 3.3Å; D1044-R1048 WeakPolarHBondContact O-CB 3.43Å; D1044-R1048 VanDerWaalsContact O-CD 3.22Å; D1044-R1048 WeakPolarHBondContact O-CD 3.33Å; D1044-R1048 WeakPolarHBondContact O-CG 3.41Å; D1044-R1048 PolarHBondContact O-N 2.8Å; D1044-R1048 PolarHBondContact O-NE 2.77Å; D1044-R1048 IonicContact OD2-CZ 3.99Å; D1044-R1048 VanDerWaalsContact OD2-CZ 3.31Å; D1044-R1048 IonicContact OD2-NE 3.78Å; D1044-R1048 PolarHBondContact OD2-NE 3.17Å; D1044-R1048 IonicContact OD2-NH2 2.93Å; D1044-R1048 PolarHBondContact OD2-NH2 2.67Å |
| 1045 | Q | 79.2 | Confident | 73.2 | Confident | 128 Ų | 128 | 106 Ų | 106 | 60% | 0.598 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -68.5 | -41 | 167.2 | -78.9 | -178.1 | -9.4 | 0 | 0 | 111.9 | R1041 L1042 R1048 R1049 | R1041-Q1045 WeakPolarHBondContact O-CG 3.26Å; R1041-Q1045 PolarHBondContact O-N 3.38Å; L1042-Q1045 WeakPolarHBondContact O-CB 3.25Å; L1042-Q1045 PolarHBondContact O-N 2.81Å; L1042-Q1045 VanDerWaalsContact O-N 3.16Å; Q1045-R1048 CarbonylContact O-C 3.31Å; Q1045-R1048 PolarHBondContact O-N 2.7Å; Q1045-R1049 PolarHBondContact O-N 3.42Å |
| 1046 | E | 78.8 | Confident | 71.6 | Confident | 81 Ų | 81 | 105.3 Ų | 105.3 | 38% | 0.379 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -69.7 | -42.1 | 178.7 | -166.7 | 63 | -172.3 | 0 | 0 | 111.3 | L1042 S1043 R1048 R1049 L1050 | L1042-E1046 WeakPolarHBondContact O-CB 3.31Å; L1042-E1046 PolarHBondContact O-N 2.74Å; S1043-E1046 CarbonylContact O-C 3.51Å; S1043-E1046 PolarHBondContact O-N 2.67Å; E1046-R1048 VanDerWaalsContact C-N 3.3Å; E1046-R1048 PolarHBondContact O-N 2.8Å; E1046-R1049 CarbonylContact O-C 3.55Å; E1046-R1049 WeakPolarHBondContact O-CA 3.23Å; E1046-R1049 WeakPolarHBondContact O-CB 3.4Å; E1046-R1049 PolarHBondContact O-N 3.44Å; E1046-R1049 IonicContact OE1-CZ 2.66Å; E1046-R1049 VanDerWaalsContact OE1-CZ 3.3Å; E1046-R1049 IonicContact OE1-NE 3.78Å; E1046-R1049 PolarHBondContact OE1-NE 2.77Å; E1046-R1049 VanDerWaalsContact OE1-NE 3.15Å; E1046-R1049 IonicContact OE1-NH2 2.66Å; E1046-R1049 PolarHBondContact OE1-NH2 3.41Å; E1046-R1049 IonicContact OE2-CZ 3.58Å; E1046-R1049 IonicContact OE2-NE 2.7Å; E1046-R1049 PolarHBondContact OE2-NE 3.16Å; E1046-R1049 IonicContact OE2-NH2 2.63Å; E1046-L1050 HydrophobicContact CG-CD1 4.25Å; E1046-L1050 WeakPolarHBondContact O-CB 3.24Å; E1046-L1050 WeakPolarHBondContact O-CG 3.11Å; E1046-L1050 PolarHBondContact O-N 3Å |
| 1047 | I | 72.3 | Confident | 70.6 | Confident | 59 Ų | 59 | 104.9 Ų | 104.9 | 30% | 0.303 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.2 | -38.5 | 169.2 | -72.2 | 164.8 | 0 | 0 | 0 | 110.4 | S1043 R1049 R1051 | S1043-I1047 VanDerWaalsContact O-CB 3.26Å; S1043-I1047 WeakPolarHBondContact O-CB 3.31Å; S1043-I1047 WeakPolarHBondContact O-CD1 3.44Å; S1043-I1047 WeakPolarHBondContact O-CG1 3.3Å; S1043-I1047 PolarHBondContact O-N 2.84Å; I1047-R1049 VanDerWaalsContact C-N 3.34Å; I1047-R1051 HydrophobicContact CG2-CG 4.19Å; I1047-R1051 WeakPolarHBondContact O-CB 3.25Å; I1047-R1051 WeakPolarHBondContact O-CG 3.15Å; I1047-R1051 PolarHBondContact O-N 2.72Å |
| 1048 | R | 77.7 | Confident | 69.2 | Low | 149 Ų | 149 | 105.3 Ų | 105.3 | 56% | 0.562 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -72.3 | -23.8 | 173.5 | -71.3 | 164.8 | -156.4 | -149.6 | 8.9 | 113.3 | D1044 Q1045 E1046 R1052 | D1044-R1048 VanDerWaalsContact O-CB 3.3Å; D1044-R1048 WeakPolarHBondContact O-CB 3.43Å; D1044-R1048 VanDerWaalsContact O-CD 3.22Å; D1044-R1048 WeakPolarHBondContact O-CD 3.33Å; D1044-R1048 WeakPolarHBondContact O-CG 3.41Å; D1044-R1048 PolarHBondContact O-N 2.8Å; D1044-R1048 PolarHBondContact O-NE 2.77Å; D1044-R1048 IonicContact OD2-CZ 3.99Å; D1044-R1048 VanDerWaalsContact OD2-CZ 3.31Å; D1044-R1048 IonicContact OD2-NE 3.78Å; D1044-R1048 PolarHBondContact OD2-NE 3.17Å; D1044-R1048 IonicContact OD2-NH2 2.93Å; D1044-R1048 PolarHBondContact OD2-NH2 2.67Å; Q1045-R1048 CarbonylContact O-C 3.31Å; Q1045-R1048 PolarHBondContact O-N 2.7Å; E1046-R1048 VanDerWaalsContact C-N 3.3Å; E1046-R1048 PolarHBondContact O-N 2.8Å; R1048-R1052 PolarHBondContact O-NE 3.38Å; R1048-R1052 PolarHBondContact O-NH2 3.48Å; R1048-R1052 VanDerWaalsContact O-NH2 3.14Å |
| 1049 | R | 74.7 | Confident | 67.5 | Low | 99 Ų | 99 | 105.6 Ų | 105.6 | 37% | 0.374 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -74.9 | -54.5 | 172.5 | -175.8 | 176.9 | 82.2 | 80.7 | -2.9 | 110.1 | Q1045 E1046 I1047 R1051 R1052 E1053 | Q1045-R1049 PolarHBondContact O-N 3.42Å; E1046-R1049 CarbonylContact O-C 3.55Å; E1046-R1049 WeakPolarHBondContact O-CA 3.23Å; E1046-R1049 WeakPolarHBondContact O-CB 3.4Å; E1046-R1049 PolarHBondContact O-N 3.44Å; E1046-R1049 IonicContact OE1-CZ 2.66Å; E1046-R1049 VanDerWaalsContact OE1-CZ 3.3Å; E1046-R1049 IonicContact OE1-NE 3.78Å; E1046-R1049 PolarHBondContact OE1-NE 2.77Å; E1046-R1049 VanDerWaalsContact OE1-NE 3.15Å; E1046-R1049 IonicContact OE1-NH2 2.66Å; E1046-R1049 PolarHBondContact OE1-NH2 3.41Å; E1046-R1049 IonicContact OE2-CZ 3.58Å; E1046-R1049 IonicContact OE2-NE 2.7Å; E1046-R1049 PolarHBondContact OE2-NE 3.16Å; E1046-R1049 IonicContact OE2-NH2 2.63Å; I1047-R1049 VanDerWaalsContact C-N 3.34Å; R1049-R1051 PolarHBondContact O-N 3.03Å; R1049-R1052 WeakPolarHBondContact O-CA 3.23Å; R1049-R1052 WeakPolarHBondContact O-CB 3.29Å; R1049-R1052 PolarHBondContact O-N 3.39Å; R1049-E1053 WeakPolarHBondContact CG-OE1 3.34Å; R1049-E1053 IonicContact CZ-OE1 2.73Å; R1049-E1053 IonicContact CZ-OE2 2.63Å; R1049-E1053 IonicContact NH1-OE1 3.61Å; R1049-E1053 PolarHBondContact NH1-OE1 2.78Å; R1049-E1053 IonicContact NH1-OE2 3.53Å; R1049-E1053 PolarHBondContact NH1-OE2 3.36Å; R1049-E1053 PolarHBondContact O-N 3.03Å |
| 1050 | L | 63.7 | Low | 66 | Low | 85 Ų | 85 | 109.8 Ų | 109.8 | 45% | 0.445 | 52% | 0.523 | S | S | . | . | H | α-helix | trans | -60.7 | -39.9 | 175.7 | -64.3 | 171.2 | 0 | 0 | 0 | 112.2 | E1046 R1052 E1053 L1054 | E1046-L1050 HydrophobicContact CG-CD1 4.25Å; E1046-L1050 WeakPolarHBondContact O-CB 3.24Å; E1046-L1050 WeakPolarHBondContact O-CG 3.11Å; E1046-L1050 PolarHBondContact O-N 3Å; L1050-R1052 PolarHBondContact O-N 2.92Å; L1050-E1053 PolarHBondContact O-N 3.27Å; L1050-L1054 WeakPolarHBondContact O-CB 3.31Å; L1050-L1054 PolarHBondContact O-N 3.25Å |
| 1051 | R | 64.2 | Low | 64.9 | Low | 158 Ų | 158 | 110.6 Ų | 110.6 | 60% | 0.596 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -73.3 | -0.5 | 172.8 | -70.7 | 176.5 | 179 | 173.1 | 2.9 | 114.8 | I1047 R1049 R1055 | I1047-R1051 HydrophobicContact CG2-CG 4.19Å; I1047-R1051 WeakPolarHBondContact O-CB 3.25Å; I1047-R1051 WeakPolarHBondContact O-CG 3.15Å; I1047-R1051 PolarHBondContact O-N 2.72Å; R1049-R1051 PolarHBondContact O-N 3.03Å; R1051-R1055 WeakPolarHBondContact O-CB 3.41Å; R1051-R1055 PolarHBondContact O-NE 2.75Å |
| 1052 | R | 65.6 | Low | 63.6 | Low | 135 Ų | 135 | 108.3 Ų | 108.3 | 51% | 0.509 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -95.6 | -57 | 162.2 | -107.9 | 176.9 | -76.9 | 103.8 | -1.9 | 109.2 | R1048 R1049 L1050 L1054 R1055 D1056 | R1048-R1052 PolarHBondContact O-NE 3.38Å; R1048-R1052 PolarHBondContact O-NH2 3.48Å; R1048-R1052 VanDerWaalsContact O-NH2 3.14Å; R1049-R1052 WeakPolarHBondContact O-CA 3.23Å; R1049-R1052 WeakPolarHBondContact O-CB 3.29Å; R1049-R1052 PolarHBondContact O-N 3.39Å; L1050-R1052 PolarHBondContact O-N 2.92Å; R1052-L1054 VanDerWaalsContact C-N 3.27Å; R1052-L1054 PolarHBondContact O-N 2.81Å; R1052-L1054 VanDerWaalsContact O-N 3.16Å; R1052-R1055 CarbonylContact O-C 3.57Å; R1052-R1055 WeakPolarHBondContact O-CA 3.12Å; R1052-R1055 WeakPolarHBondContact O-CB 3.39Å; R1052-R1055 PolarHBondContact O-N 3.36Å; R1052-D1056 WeakPolarHBondContact O-CB 3.28Å; R1052-D1056 PolarHBondContact O-N 3.22Å |
| 1053 | E | 57.7 | Low | 62.6 | Low | 84 Ų | 84 | 108.2 Ų | 108.2 | 39% | 0.393 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -54.1 | -39.4 | 179.6 | -71.8 | 163.4 | -159.5 | 0 | 0 | 113.2 | R1049 L1050 S1057 | R1049-E1053 WeakPolarHBondContact CG-OE1 3.34Å; R1049-E1053 IonicContact CZ-OE1 2.73Å; R1049-E1053 IonicContact CZ-OE2 2.63Å; R1049-E1053 IonicContact NH1-OE1 3.61Å; R1049-E1053 PolarHBondContact NH1-OE1 2.78Å; R1049-E1053 IonicContact NH1-OE2 3.53Å; R1049-E1053 PolarHBondContact NH1-OE2 3.36Å; R1049-E1053 PolarHBondContact O-N 3.03Å; L1050-E1053 PolarHBondContact O-N 3.27Å; E1053-S1057 VanDerWaalsContact O-CB 3.26Å; E1053-S1057 WeakPolarHBondContact O-CB 3.34Å; E1053-S1057 PolarHBondContact O-N 3.46Å; E1053-S1057 PolarHBondContact O-OG 3.21Å |
| 1054 | L | 52.7 | Low | 62.6 | Low | 93 Ų | 93 | 108.5 Ų | 108.5 | 49% | 0.487 | 52% | 0.523 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.6 | -43.6 | 173.5 | -162.7 | 82.6 | 0 | 0 | 0 | 112.2 | L1050 R1052 D1056 S1057 E1058 | L1050-L1054 WeakPolarHBondContact O-CB 3.31Å; L1050-L1054 PolarHBondContact O-N 3.25Å; R1052-L1054 VanDerWaalsContact C-N 3.27Å; R1052-L1054 PolarHBondContact O-N 2.81Å; R1052-L1054 VanDerWaalsContact O-N 3.16Å; L1054-D1056 VanDerWaalsContact C-N 3.3Å; L1054-D1056 PolarHBondContact O-N 2.99Å; L1054-S1057 PolarHBondContact O-N 2.85Å; L1054-S1057 VanDerWaalsContact O-N 3.11Å; L1054-E1058 HydrophobicContact CD1-CG 4.31Å; L1054-E1058 WeakPolarHBondContact CD1-OE1 3.39Å; L1054-E1058 VanDerWaalsContact CG-CD 3.5Å; L1054-E1058 HydrophobicContact CG-CG 4.09Å; L1054-E1058 WeakPolarHBondContact O-CB 3.3Å; L1054-E1058 WeakPolarHBondContact O-CG 3.23Å; L1054-E1058 PolarHBondContact O-N 3.12Å |
| 1055 | R | 57.3 | Low | 62.3 | Low | 173 Ų | 173 | 110 Ų | 110 | 65% | 0.653 | 53% | 0.531 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.5 | -32.5 | -179.6 | -170.9 | -171.2 | -51.7 | -117.7 | -6.1 | 112.3 | R1051 R1052 S1057 | R1051-R1055 WeakPolarHBondContact O-CB 3.41Å; R1051-R1055 PolarHBondContact O-NE 2.75Å; R1052-R1055 CarbonylContact O-C 3.57Å; R1052-R1055 WeakPolarHBondContact O-CA 3.12Å; R1052-R1055 WeakPolarHBondContact O-CB 3.39Å; R1052-R1055 PolarHBondContact O-N 3.36Å; R1055-S1057 VanDerWaalsContact C-N 3.31Å |
| 1056 | D | 50.7 | Low | 61.5 | Low | 122 Ų | 122 | 106 Ų | 106 | 65% | 0.652 | 52% | 0.52 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.6 | -9.7 | 176.8 | -56.5 | -26 | 0 | 0 | 0 | 111.7 | R1052 L1054 | R1052-D1056 WeakPolarHBondContact O-CB 3.28Å; R1052-D1056 PolarHBondContact O-N 3.22Å; L1054-D1056 VanDerWaalsContact C-N 3.3Å; L1054-D1056 PolarHBondContact O-N 2.99Å |
| 1057 | S | 55.6 | Low | 61 | Low | 99 Ų | 99 | 107.9 Ų | 107.9 | 69% | 0.692 | 53% | 0.53 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -110.3 | -29.8 | -179.2 | -58.3 | 0 | 0 | 0 | 0 | 115 | E1053 L1054 R1055 | E1053-S1057 VanDerWaalsContact O-CB 3.26Å; E1053-S1057 WeakPolarHBondContact O-CB 3.34Å; E1053-S1057 PolarHBondContact O-N 3.46Å; E1053-S1057 PolarHBondContact O-OG 3.21Å; L1054-S1057 PolarHBondContact O-N 2.85Å; L1054-S1057 VanDerWaalsContact O-N 3.11Å; R1055-S1057 VanDerWaalsContact C-N 3.31Å |
| 1058 | E | 53.3 | Low | 61.2 | Low | 110 Ų | 110 | 111.3 Ų | 111.3 | 51% | 0.514 | 55% | 0.545 | S | S | . | . | S | Bend | trans | -88.9 | -6.7 | -175 | -70.5 | -176.4 | 156.3 | 0 | 0 | 114.5 | L1054 D1060 | L1054-E1058 HydrophobicContact CD1-CG 4.31Å; L1054-E1058 WeakPolarHBondContact CD1-OE1 3.39Å; L1054-E1058 VanDerWaalsContact CG-CD 3.5Å; L1054-E1058 HydrophobicContact CG-CG 4.09Å; L1054-E1058 WeakPolarHBondContact O-CB 3.3Å; L1054-E1058 WeakPolarHBondContact O-CG 3.23Å; L1054-E1058 PolarHBondContact O-N 3.12Å; E1058-D1060 PolarHBondContact O-N 2.88Å |
| 1059 | A | 45.9 | Very low | 61 | Low | 50 Ų | 50 | 110.8 Ų | 110.8 | 41% | 0.413 | 55% | 0.546 | S | S | . | . | S | Bend | trans | -63.5 | -46.2 | -163.4 | 0 | 0 | 0 | 0 | 0 | 115.7 | L1063 | A1059-L1063 WeakPolarHBondContact O-CB 3.26Š|
| 1060 | D | 52.8 | Low | 60.9 | Low | 150 Ų | 150 | 110.4 Ų | 110.4 | 80% | 0.802 | 55% | 0.551 | S | S | * | * | S | Bend | trans | -96.7 | -31.2 | -158.7 | -73 | -22.9 | 0 | 0 | 0 | 115.6 | E1058 | E1058-D1060 PolarHBondContact O-N 2.88Š|
| 1061 | Q | 57.8 | Low | 61.5 | Low | 129 Ų | 129 | 113.4 Ų | 113.4 | 60% | 0.603 | 56% | 0.56 | S | S | * | * | S | Bend | trans | -94.3 | -52.7 | -172.2 | -168.1 | 60.5 | 62.6 | 0 | 0 | 113.7 | L1063 S1064 | Q1061-L1063 VanDerWaalsContact C-N 3.28Å; Q1061-L1063 PolarHBondContact O-N 3.41Å; Q1061-S1064 PolarHBondContact O-N 3.47Å |
| 1062 | H | 53.3 | Low | 62.1 | Low | 136 Ų | 136 | 111.5 Ų | 111.5 | 63% | 0.63 | 56% | 0.558 | S | S | * | * | H | α-helix | trans | -69 | -26.4 | -176.4 | -74.2 | -52.6 | 0 | 0 | 0 | 113.3 | S1064 A1066 | H1062-S1064 VanDerWaalsContact C-N 3.35Å; H1062-A1066 VanDerWaalsContact O-CB 3.3Å; H1062-A1066 WeakPolarHBondContact O-CB 3.41Å; H1062-A1066 PolarHBondContact O-N 2.83Å |
| 1063 | L | 61.7 | Low | 62.5 | Low | 110 Ų | 110 | 109.3 Ų | 109.3 | 58% | 0.576 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -67.4 | -35.1 | 175.5 | -172.4 | 60.4 | 0 | 0 | 0 | 112 | A1059 Q1061 A1066 M1067 | A1059-L1063 WeakPolarHBondContact O-CB 3.26Å; Q1061-L1063 VanDerWaalsContact C-N 3.28Å; Q1061-L1063 PolarHBondContact O-N 3.41Å; L1063-A1066 PolarHBondContact O-N 2.84Å; L1063-M1067 HydrophobicContact CG-SD 4.42Å; L1063-M1067 WeakPolarHBondContact O-CB 3.44Å; L1063-M1067 VanDerWaalsContact O-CG 3.29Å; L1063-M1067 WeakPolarHBondContact O-CG 3.19Å; L1063-M1067 PolarHBondContact O-N 3.09Å |
| 1064 | S | 66.4 | Low | 63.3 | Low | 68 Ų | 68 | 110.1 Ų | 110.1 | 48% | 0.476 | 56% | 0.56 | S | S | . | * | H | α-helix | trans | -64.2 | -50.7 | 176.2 | -176.1 | 0 | 0 | 0 | 0 | 111.6 | Q1061 H1062 A1066 M1067 E1068 | Q1061-S1064 PolarHBondContact O-N 3.47Å; H1062-S1064 VanDerWaalsContact C-N 3.35Å; S1064-A1066 VanDerWaalsContact C-N 3.27Å; S1064-A1066 PolarHBondContact O-N 2.61Å; S1064-M1067 PolarHBondContact O-N 2.98Å; S1064-M1067 VanDerWaalsContact O-N 3.15Å; S1064-E1068 PolarHBondContact O-N 2.81Å |
| 1065 | D | 68 | Low | 64.5 | Low | 93 Ų | 93 | 108.4 Ų | 108.4 | 50% | 0.497 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -61.8 | -37.8 | 178.3 | -63.3 | -3.8 | 0 | 0 | 0 | 111.2 | E1068 K1069 | D1065-E1068 PolarHBondContact O-N 3.32Å; D1065-K1069 WeakPolarHBondContact O-CB 3.24Å; D1065-K1069 PolarHBondContact O-N 3.46Å |
| 1066 | A | 61.5 | Low | 65.6 | Low | 43 Ų | 43 | 105.7 Ų | 105.7 | 36% | 0.355 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -65.9 | -40.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | H1062 L1063 S1064 K1069 I1070 | H1062-A1066 VanDerWaalsContact O-CB 3.3Å; H1062-A1066 WeakPolarHBondContact O-CB 3.41Å; H1062-A1066 PolarHBondContact O-N 2.83Å; L1063-A1066 PolarHBondContact O-N 2.84Å; S1064-A1066 VanDerWaalsContact C-N 3.27Å; S1064-A1066 PolarHBondContact O-N 2.61Å; A1066-K1069 WeakPolarHBondContact O-CB 3.17Å; A1066-K1069 PolarHBondContact O-N 3.44Å; A1066-I1070 VanDerWaalsContact O-CG1 3.26Å; A1066-I1070 WeakPolarHBondContact O-CG1 3.37Å; A1066-I1070 PolarHBondContact O-N 3Å |
| 1067 | M | 68.2 | Low | 66.8 | Low | 121 Ų | 121 | 104.3 Ų | 104.3 | 60% | 0.596 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -64.2 | -39.4 | 175.9 | -76.5 | 177.4 | 73.4 | 0 | 0 | 112.2 | L1063 S1064 I1070 K1071 | L1063-M1067 HydrophobicContact CG-SD 4.42Å; L1063-M1067 WeakPolarHBondContact O-CB 3.44Å; L1063-M1067 VanDerWaalsContact O-CG 3.29Å; L1063-M1067 WeakPolarHBondContact O-CG 3.19Å; L1063-M1067 PolarHBondContact O-N 3.09Å; S1064-M1067 PolarHBondContact O-N 2.98Å; S1064-M1067 VanDerWaalsContact O-N 3.15Å; M1067-I1070 PolarHBondContact O-N 3.18Å; M1067-K1071 PolarHBondContact O-N 3.3Å |
| 1068 | E | 76.3 | Confident | 68.1 | Low | 131 Ų | 131 | 104.4 Ų | 104.4 | 61% | 0.612 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -70.1 | -34.9 | 174.7 | -170.5 | 149.9 | -126.9 | 0 | 0 | 112 | S1064 D1065 K1071 Q1072 | S1064-E1068 PolarHBondContact O-N 2.81Å; D1065-E1068 PolarHBondContact O-N 3.32Å; E1068-K1071 PolarHBondContact O-N 3.48Å; E1068-Q1072 WeakPolarHBondContact O-CG 3.25Å; E1068-Q1072 PolarHBondContact O-N 2.96Å |
| 1069 | K | 74.2 | Confident | 69.4 | Low | 137 Ų | 137 | 105.8 Ų | 105.8 | 60% | 0.596 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -60.2 | -45.7 | 169.9 | -156.1 | 81.2 | 171.6 | -167.6 | 0 | 112.1 | D1065 A1066 K1071 Q1072 L1073 | D1065-K1069 WeakPolarHBondContact O-CB 3.24Å; D1065-K1069 PolarHBondContact O-N 3.46Å; A1066-K1069 WeakPolarHBondContact O-CB 3.17Å; A1066-K1069 PolarHBondContact O-N 3.44Å; K1069-K1071 VanDerWaalsContact C-N 3.33Å; K1069-K1071 PolarHBondContact O-N 3.08Å; K1069-Q1072 PolarHBondContact O-N 3.39Å; K1069-L1073 WeakPolarHBondContact O-CG 3.25Å; K1069-L1073 PolarHBondContact O-N 3.48Å |
| 1070 | I | 71.7 | Confident | 70.7 | Confident | 92 Ų | 92 | 107.1 Ų | 107.1 | 47% | 0.472 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -59.4 | -45.3 | 176 | -72.6 | 162.4 | 0 | 0 | 0 | 109.8 | A1066 M1067 Q1072 L1073 E1074 | A1066-I1070 VanDerWaalsContact O-CG1 3.26Å; A1066-I1070 WeakPolarHBondContact O-CG1 3.37Å; A1066-I1070 PolarHBondContact O-N 3Å; M1067-I1070 PolarHBondContact O-N 3.18Å; I1070-Q1072 VanDerWaalsContact C-N 3.31Å; I1070-Q1072 PolarHBondContact O-N 2.89Å; I1070-L1073 CarbonylContact O-C 3.58Å; I1070-L1073 WeakPolarHBondContact O-CA 3.36Å; I1070-L1073 WeakPolarHBondContact O-CB 3.47Å; I1070-L1073 PolarHBondContact O-N 3.06Å; I1070-E1074 HydrophobicContact CG2-CG 4.38Å; I1070-E1074 WeakPolarHBondContact O-CG 3.12Å; I1070-E1074 PolarHBondContact O-N 3.46Å |
| 1071 | K | 77.5 | Confident | 71.9 | Confident | 148 Ų | 148 | 103.9 Ų | 103.9 | 64% | 0.643 | 52% | 0.521 | S | S | * | . | H | α-helix | trans | -63.5 | -33.6 | 178.8 | -147 | 171.4 | -169.1 | 173.6 | 0 | 113.5 | M1067 E1068 K1069 S1075 | M1067-K1071 PolarHBondContact O-N 3.3Å; E1068-K1071 PolarHBondContact O-N 3.48Å; K1069-K1071 VanDerWaalsContact C-N 3.33Å; K1069-K1071 PolarHBondContact O-N 3.08Å; K1071-S1075 PolarHBondContact O-N 3.01Å; K1071-S1075 VanDerWaalsContact O-N 3.14Å |
| 1072 | Q | 77 | Confident | 73 | Confident | 118 Ų | 118 | 102.4 Ų | 102.4 | 55% | 0.551 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -69.4 | -38.1 | 170.7 | -69.6 | 179 | 13.8 | 0 | 0 | 112 | E1068 K1069 I1070 S1075 Q1076 | E1068-Q1072 WeakPolarHBondContact O-CG 3.25Å; E1068-Q1072 PolarHBondContact O-N 2.96Å; K1069-Q1072 PolarHBondContact O-N 3.39Å; I1070-Q1072 VanDerWaalsContact C-N 3.31Å; I1070-Q1072 PolarHBondContact O-N 2.89Å; Q1072-S1075 WeakPolarHBondContact O-CB 3.2Å; Q1072-S1075 PolarHBondContact O-N 3.31Å; Q1072-Q1076 PolarHBondContact O-N 3.5Å |
| 1073 | L | 73.2 | Confident | 74.1 | Confident | 88 Ų | 88 | 99 Ų | 99 | 46% | 0.461 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -67.7 | -39.4 | 174.1 | -69.2 | 168.6 | 0 | 0 | 0 | 111.9 | K1069 I1070 S1075 Q1076 I1077 | K1069-L1073 WeakPolarHBondContact O-CG 3.25Å; K1069-L1073 PolarHBondContact O-N 3.48Å; I1070-L1073 CarbonylContact O-C 3.58Å; I1070-L1073 WeakPolarHBondContact O-CA 3.36Å; I1070-L1073 WeakPolarHBondContact O-CB 3.47Å; I1070-L1073 PolarHBondContact O-N 3.06Å; L1073-S1075 VanDerWaalsContact C-N 3.31Å; L1073-S1075 PolarHBondContact O-N 2.92Å; L1073-Q1076 CarbonylContact O-C 3.58Å; L1073-Q1076 WeakPolarHBondContact O-CA 3.22Å; L1073-Q1076 WeakPolarHBondContact O-CB 3.5Å; L1073-Q1076 PolarHBondContact O-N 2.83Å; L1073-Q1076 VanDerWaalsContact O-N 3.1Å; L1073-I1077 VanDerWaalsContact O-CG1 3.27Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.34Å; L1073-I1077 PolarHBondContact O-N 2.81Å |
| 1074 | E | 75.3 | Confident | 74.9 | Confident | 101 Ų | 101 | 97.4 Ų | 97.4 | 47% | 0.472 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -57.6 | -43.4 | 171 | -71.4 | 173.1 | 161.8 | 0 | 0 | 111.4 | I1070 Q1076 I1077 I1078 | I1070-E1074 HydrophobicContact CG2-CG 4.38Å; I1070-E1074 WeakPolarHBondContact O-CG 3.12Å; I1070-E1074 PolarHBondContact O-N 3.46Å; E1074-Q1076 VanDerWaalsContact C-N 3.33Å; E1074-Q1076 PolarHBondContact O-N 3.34Å; E1074-I1077 PolarHBondContact O-N 3.13Å; E1074-I1078 WeakPolarHBondContact O-CG1 3.35Å; E1074-I1078 PolarHBondContact O-N 3.43Å |
| 1075 | S | 77.2 | Confident | 75.5 | Confident | 58 Ų | 58 | 100.5 Ų | 100.5 | 41% | 0.406 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -61.6 | -38.5 | 174 | -169.9 | 0 | 0 | 0 | 0 | 112.6 | K1071 Q1072 L1073 K1079 | K1071-S1075 PolarHBondContact O-N 3.01Å; K1071-S1075 VanDerWaalsContact O-N 3.14Å; Q1072-S1075 WeakPolarHBondContact O-CB 3.2Å; Q1072-S1075 PolarHBondContact O-N 3.31Å; L1073-S1075 VanDerWaalsContact C-N 3.31Å; L1073-S1075 PolarHBondContact O-N 2.92Å; S1075-K1079 WeakPolarHBondContact O-CG 3.44Å; S1075-K1079 PolarHBondContact O-N 2.87Å |
| 1076 | Q | 79.9 | Confident | 76.1 | Confident | 116 Ų | 116 | 101.6 Ų | 101.6 | 54% | 0.542 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -69.6 | -38.7 | 172.7 | -71.5 | -172.8 | -5.4 | 0 | 0 | 112.3 | Q1072 L1073 E1074 K1079 L1080 | Q1072-Q1076 PolarHBondContact O-N 3.5Å; L1073-Q1076 CarbonylContact O-C 3.58Å; L1073-Q1076 WeakPolarHBondContact O-CA 3.22Å; L1073-Q1076 WeakPolarHBondContact O-CB 3.5Å; L1073-Q1076 PolarHBondContact O-N 2.83Å; L1073-Q1076 VanDerWaalsContact O-N 3.1Å; E1074-Q1076 VanDerWaalsContact C-N 3.33Å; E1074-Q1076 PolarHBondContact O-N 3.34Å; Q1076-K1079 PolarHBondContact O-N 2.78Å; Q1076-L1080 WeakPolarHBondContact O-CB 3.5Å; Q1076-L1080 VanDerWaalsContact O-CG 3.29Å; Q1076-L1080 WeakPolarHBondContact O-CG 3.36Å; Q1076-L1080 PolarHBondContact O-N 2.81Å |
| 1077 | I | 77 | Confident | 76.7 | Confident | 92 Ų | 92 | 104.2 Ų | 104.2 | 47% | 0.472 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -64.1 | -40 | 176.5 | -70.9 | 162 | 0 | 0 | 0 | 110.8 | L1073 E1074 L1080 N1081 | L1073-I1077 VanDerWaalsContact O-CG1 3.27Å; L1073-I1077 WeakPolarHBondContact O-CG1 3.34Å; L1073-I1077 PolarHBondContact O-N 2.81Å; E1074-I1077 PolarHBondContact O-N 3.13Å; I1077-L1080 PolarHBondContact O-N 2.96Å; I1077-N1081 WeakPolarHBondContact O-CB 3.46Å; I1077-N1081 PolarHBondContact O-N 3.35Å |
| 1078 | I | 81.3 | Confident | 77.1 | Confident | 102 Ų | 102 | 103.4 Ų | 103.4 | 52% | 0.523 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.3 | -42.2 | 174.4 | -68.3 | 165 | 0 | 0 | 0 | 110.9 | E1074 N1081 N1082 | E1074-I1078 WeakPolarHBondContact O-CG1 3.35Å; E1074-I1078 PolarHBondContact O-N 3.43Å; I1078-N1081 PolarHBondContact O-N 2.85Å; I1078-N1082 PolarHBondContact O-N 2.94Å |
| 1079 | K | 81 | Confident | 77.1 | Confident | 139 Ų | 139 | 100.9 Ų | 100.9 | 60% | 0.604 | 50% | 0.5 | S | S | * | . | H | α-helix | trans | -64.3 | -42.6 | 174.7 | -72.2 | 172.4 | -178.5 | 176.3 | 0 | 112.1 | S1075 Q1076 N1082 T1083 | S1075-K1079 WeakPolarHBondContact O-CG 3.44Å; S1075-K1079 PolarHBondContact O-N 2.87Å; Q1076-K1079 PolarHBondContact O-N 2.78Å; K1079-N1082 PolarHBondContact O-N 3.5Å; K1079-T1083 PolarHBondContact O-N 3.13Å; K1079-T1083 PolarHBondContact O-OG1 3.1Å |
| 1080 | L | 74.1 | Confident | 77.4 | Confident | 78 Ų | 78 | 99.5 Ų | 99.5 | 41% | 0.408 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -65.6 | -37.4 | 175.5 | -74.5 | 169 | 0 | 0 | 0 | 112.1 | Q1076 I1077 N1082 T1083 I1084 | Q1076-L1080 WeakPolarHBondContact O-CB 3.5Å; Q1076-L1080 VanDerWaalsContact O-CG 3.29Å; Q1076-L1080 WeakPolarHBondContact O-CG 3.36Å; Q1076-L1080 PolarHBondContact O-N 2.81Å; I1077-L1080 PolarHBondContact O-N 2.96Å; L1080-N1082 VanDerWaalsContact C-N 3.32Å; L1080-T1083 PolarHBondContact O-N 3.16Å; L1080-T1083 PolarHBondContact O-OG1 2.66Å; L1080-I1084 VanDerWaalsContact O-CB 3.29Å; L1080-I1084 WeakPolarHBondContact O-CB 3.39Å; L1080-I1084 WeakPolarHBondContact O-CD1 3.24Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.19Å; L1080-I1084 PolarHBondContact O-N 3.37Å |
| 1081 | N | 77.6 | Confident | 77.5 | Confident | 82 Ų | 82 | 100.3 Ų | 100.3 | 44% | 0.439 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.9 | -33.7 | 173.7 | -81.8 | -12.9 | 0 | 0 | 0 | 111.9 | I1077 I1078 K1085 | I1077-N1081 WeakPolarHBondContact O-CB 3.46Å; I1077-N1081 PolarHBondContact O-N 3.35Å; I1078-N1081 PolarHBondContact O-N 2.85Å; N1081-K1085 WeakPolarHBondContact O-CB 3.4Å; N1081-K1085 WeakPolarHBondContact O-CG 3.41Å; N1081-K1085 PolarHBondContact O-N 3.25Å |
| 1082 | N | 80.2 | Confident | 77.6 | Confident | 97 Ų | 97 | 100 Ų | 100 | 52% | 0.519 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -71 | -40.1 | 174.8 | -71.1 | -13.5 | 0 | 0 | 0 | 111.9 | I1078 K1079 L1080 K1085 Q1086 | I1078-N1082 PolarHBondContact O-N 2.94Å; K1079-N1082 PolarHBondContact O-N 3.5Å; L1080-N1082 VanDerWaalsContact C-N 3.32Å; N1082-K1085 PolarHBondContact O-N 3.01Å; N1082-Q1086 WeakPolarHBondContact O-CB 3.47Å; N1082-Q1086 PolarHBondContact O-N 2.73Å |
| 1083 | T | 77.7 | Confident | 77.6 | Confident | 65 Ų | 65 | 98.7 Ų | 98.7 | 40% | 0.399 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -72.5 | -31.8 | 172.4 | 53 | 0 | 0 | 0 | 0 | 112.7 | K1079 L1080 Q1086 N1087 | K1079-T1083 PolarHBondContact O-N 3.13Å; K1079-T1083 PolarHBondContact O-OG1 3.1Å; L1080-T1083 PolarHBondContact O-N 3.16Å; L1080-T1083 PolarHBondContact O-OG1 2.66Å; T1083-Q1086 PolarHBondContact O-N 3.14Å; T1083-N1087 WeakPolarHBondContact O-CB 3.37Å; T1083-N1087 PolarHBondContact O-N 2.74Å; T1083-N1087 PolarHBondContact O-OD1 3.3Å; T1083-N1087 VanDerWaalsContact O-OD1 3.09Å |
| 1084 | I | 77 | Confident | 77.3 | Confident | 76 Ų | 76 | 98 Ų | 98 | 39% | 0.39 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.3 | -46.9 | 169.7 | -74 | 162.5 | 0 | 0 | 0 | 109.9 | L1080 Q1086 N1087 E1088 | L1080-I1084 VanDerWaalsContact O-CB 3.29Å; L1080-I1084 WeakPolarHBondContact O-CB 3.39Å; L1080-I1084 WeakPolarHBondContact O-CD1 3.24Å; L1080-I1084 WeakPolarHBondContact O-CG1 3.19Å; L1080-I1084 PolarHBondContact O-N 3.37Å; I1084-Q1086 VanDerWaalsContact C-N 3.3Å; I1084-Q1086 PolarHBondContact O-N 3.09Å; I1084-N1087 CarbonylContact O-C 3.5Å; I1084-N1087 WeakPolarHBondContact O-CA 3.48Å; I1084-N1087 WeakPolarHBondContact O-CB 3.16Å; I1084-N1087 PolarHBondContact O-N 3Å; I1084-N1087 VanDerWaalsContact O-N 3.14Å; I1084-E1088 HydrophobicContact CG2-CG 4.35Å; I1084-E1088 WeakPolarHBondContact O-CG 3.48Å; I1084-E1088 PolarHBondContact O-N 3.3Å |
| 1085 | K | 79.7 | Confident | 77.2 | Confident | 133 Ų | 133 | 97.5 Ų | 97.5 | 58% | 0.578 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -61.3 | -36.7 | 174.9 | -78.4 | 179.9 | 175.5 | -174.7 | 0 | 113.4 | N1081 N1082 E1088 T1089 | N1081-K1085 WeakPolarHBondContact O-CB 3.4Å; N1081-K1085 WeakPolarHBondContact O-CG 3.41Å; N1081-K1085 PolarHBondContact O-N 3.25Å; N1082-K1085 PolarHBondContact O-N 3.01Å; K1085-E1088 PolarHBondContact O-N 3.24Å; K1085-T1089 PolarHBondContact O-N 3.29Å; K1085-T1089 PolarHBondContact O-OG1 3.43Å |
| 1086 | Q | 80 | Confident | 77.4 | Confident | 117 Ų | 117 | 100.1 Ų | 100.1 | 55% | 0.547 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 175.3 | -163.2 | 167.5 | 9.7 | 0 | 0 | 111.5 | N1082 T1083 I1084 T1089 Q1090 | N1082-Q1086 WeakPolarHBondContact O-CB 3.47Å; N1082-Q1086 PolarHBondContact O-N 2.73Å; T1083-Q1086 PolarHBondContact O-N 3.14Å; I1084-Q1086 VanDerWaalsContact C-N 3.3Å; I1084-Q1086 PolarHBondContact O-N 3.09Å; Q1086-T1089 WeakPolarHBondContact CA-OG1 3.37Å; Q1086-T1089 PolarHBondContact O-N 2.85Å; Q1086-T1089 PolarHBondContact O-OG1 3.06Å; Q1086-Q1090 WeakPolarHBondContact O-CG 3.23Å; Q1086-Q1090 PolarHBondContact O-N 3.45Å |
| 1087 | N | 74.4 | Confident | 77.4 | Confident | 98 Ų | 98 | 99.9 Ų | 99.9 | 52% | 0.524 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -69.7 | -32 | 171 | -68.6 | 15.1 | 0 | 0 | 0 | 112.1 | T1083 I1084 Q1090 L1091 | T1083-N1087 WeakPolarHBondContact O-CB 3.37Å; T1083-N1087 PolarHBondContact O-N 2.74Å; T1083-N1087 PolarHBondContact O-OD1 3.3Å; T1083-N1087 VanDerWaalsContact O-OD1 3.09Å; I1084-N1087 CarbonylContact O-C 3.5Å; I1084-N1087 WeakPolarHBondContact O-CA 3.48Å; I1084-N1087 WeakPolarHBondContact O-CB 3.16Å; I1084-N1087 PolarHBondContact O-N 3Å; I1084-N1087 VanDerWaalsContact O-N 3.14Å; N1087-Q1090 PolarHBondContact O-N 2.85Å; N1087-L1091 VanDerWaalsContact O-CB 3.26Å; N1087-L1091 WeakPolarHBondContact O-CB 3.33Å; N1087-L1091 PolarHBondContact O-N 2.75Å |
| 1088 | E | 76.1 | Confident | 77.5 | Confident | 104 Ų | 104 | 102.7 Ų | 102.7 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -67.1 | -37.3 | 173.5 | -75.4 | 175.9 | 155 | 0 | 0 | 111.4 | I1084 K1085 K1092 | I1084-E1088 HydrophobicContact CG2-CG 4.35Å; I1084-E1088 WeakPolarHBondContact O-CG 3.48Å; I1084-E1088 PolarHBondContact O-N 3.3Å; K1085-E1088 PolarHBondContact O-N 3.24Å; E1088-K1092 WeakPolarHBondContact O-CG 3.09Å; E1088-K1092 PolarHBondContact O-N 3.49Å |
| 1089 | T | 76.7 | Confident | 77.3 | Confident | 78 Ų | 78 | 100.5 Ų | 100.5 | 48% | 0.479 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.6 | -46.4 | 170.8 | 41.6 | 0 | 0 | 0 | 0 | 111.3 | K1085 Q1086 L1091 K1092 D1093 | K1085-T1089 PolarHBondContact O-N 3.29Å; K1085-T1089 PolarHBondContact O-OG1 3.43Å; Q1086-T1089 WeakPolarHBondContact CA-OG1 3.37Å; Q1086-T1089 PolarHBondContact O-N 2.85Å; Q1086-T1089 PolarHBondContact O-OG1 3.06Å; T1089-L1091 VanDerWaalsContact C-N 3.32Å; T1089-L1091 PolarHBondContact O-N 2.79Å; T1089-K1092 PolarHBondContact O-N 3.15Å; T1089-K1092 VanDerWaalsContact O-N 3.16Å; T1089-D1093 VanDerWaalsContact O-CG 3.23Å; T1089-D1093 PolarHBondContact O-N 2.84Å |
| 1090 | Q | 80.6 | Confident | 77.3 | Confident | 107 Ų | 107 | 98.6 Ų | 98.6 | 50% | 0.5 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -63.1 | -36.3 | 175.3 | -71.8 | 176.4 | -18.7 | 0 | 0 | 112.7 | Q1086 N1087 K1092 D1093 C1094 | Q1086-Q1090 WeakPolarHBondContact O-CG 3.23Å; Q1086-Q1090 PolarHBondContact O-N 3.45Å; N1087-Q1090 PolarHBondContact O-N 2.85Å; Q1090-K1092 VanDerWaalsContact C-N 3.35Å; Q1090-D1093 PolarHBondContact O-N 2.83Å; Q1090-C1094 WeakPolarHBondContact O-CB 3.28Å; Q1090-C1094 PolarHBondContact O-N 2.67Å; Q1090-C1094 PolarHBondContact O-SG 2.97Å; Q1090-C1094 VanDerWaalsContact O-SG 3.34Å |
| 1091 | L | 73.9 | Confident | 77.4 | Confident | 109 Ų | 109 | 100 Ų | 100 | 57% | 0.571 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -66.4 | -39.1 | 176 | -160.5 | 90.5 | 0 | 0 | 0 | 110.5 | N1087 T1089 C1094 E1095 | N1087-L1091 VanDerWaalsContact O-CB 3.26Å; N1087-L1091 WeakPolarHBondContact O-CB 3.33Å; N1087-L1091 PolarHBondContact O-N 2.75Å; T1089-L1091 VanDerWaalsContact C-N 3.32Å; T1089-L1091 PolarHBondContact O-N 2.79Å; L1091-C1094 CarbonylContact O-C 3.54Å; L1091-C1094 PolarHBondContact O-N 2.93Å; L1091-E1095 VanDerWaalsContact O-CB 3.32Å; L1091-E1095 WeakPolarHBondContact O-CB 3.11Å; L1091-E1095 VanDerWaalsContact O-CG 3.3Å; L1091-E1095 WeakPolarHBondContact O-CG 3.48Å; L1091-E1095 PolarHBondContact O-N 3.45Å |
| 1092 | K | 79.2 | Confident | 77.2 | Confident | 142 Ų | 142 | 99.6 Ų | 99.6 | 62% | 0.617 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -65.7 | -40.5 | 173.2 | -77.2 | 175.5 | 178 | 178.5 | 0 | 112.3 | E1088 T1089 Q1090 C1094 E1095 Q1096 | E1088-K1092 WeakPolarHBondContact O-CG 3.09Å; E1088-K1092 PolarHBondContact O-N 3.49Å; T1089-K1092 PolarHBondContact O-N 3.15Å; T1089-K1092 VanDerWaalsContact O-N 3.16Å; Q1090-K1092 VanDerWaalsContact C-N 3.35Å; K1092-C1094 VanDerWaalsContact C-N 3.34Å; K1092-E1095 PolarHBondContact O-N 3.4Å; K1092-Q1096 WeakPolarHBondContact O-CB 3.35Å; K1092-Q1096 PolarHBondContact O-N 2.82Å |
| 1093 | D | 78 | Confident | 77.1 | Confident | 91 Ų | 91 | 100.7 Ų | 100.7 | 49% | 0.487 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -62.9 | -42.6 | 174.3 | -61 | -26.3 | 0 | 0 | 0 | 110.5 | T1089 Q1090 Q1096 Q1097 | T1089-D1093 VanDerWaalsContact O-CG 3.23Å; T1089-D1093 PolarHBondContact O-N 2.84Å; Q1090-D1093 PolarHBondContact O-N 2.83Å; D1093-Q1096 PolarHBondContact O-N 2.83Å; D1093-Q1097 WeakPolarHBondContact O-CB 3.47Å; D1093-Q1097 VanDerWaalsContact O-CG 3.3Å; D1093-Q1097 WeakPolarHBondContact O-CG 3.11Å; D1093-Q1097 PolarHBondContact O-N 2.8Å |
| 1094 | C | 66.6 | Low | 77.2 | Confident | 72 Ų | 72 | 102 Ų | 102 | 49% | 0.486 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -70.6 | -32.4 | 174.5 | -70.5 | 0 | 0 | 0 | 0 | 113.6 | Q1090 L1091 K1092 R1098 | Q1090-C1094 WeakPolarHBondContact O-CB 3.28Å; Q1090-C1094 PolarHBondContact O-N 2.67Å; Q1090-C1094 PolarHBondContact O-SG 2.97Å; Q1090-C1094 VanDerWaalsContact O-SG 3.34Å; L1091-C1094 CarbonylContact O-C 3.54Å; L1091-C1094 PolarHBondContact O-N 2.93Å; K1092-C1094 VanDerWaalsContact C-N 3.34Å; C1094-R1098 VanDerWaalsContact O-CB 3.26Å; C1094-R1098 WeakPolarHBondContact O-CB 3.18Å; C1094-R1098 PolarHBondContact O-N 3.22Å |
| 1095 | E | 73.6 | Confident | 77.3 | Confident | 92 Ų | 92 | 102.4 Ų | 102.4 | 43% | 0.43 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -72.2 | -34.5 | 173.3 | -78.8 | -169 | 134.5 | 0 | 0 | 111.5 | L1091 K1092 R1098 S1099 | L1091-E1095 VanDerWaalsContact O-CB 3.32Å; L1091-E1095 WeakPolarHBondContact O-CB 3.11Å; L1091-E1095 VanDerWaalsContact O-CG 3.3Å; L1091-E1095 WeakPolarHBondContact O-CG 3.48Å; L1091-E1095 PolarHBondContact O-N 3.45Å; K1092-E1095 PolarHBondContact O-N 3.4Å; E1095-R1098 PolarHBondContact O-N 3.33Å; E1095-R1098 IonicContact OE1-NH2 3.39Å; E1095-S1099 WeakPolarHBondContact O-CB 3.43Å; E1095-S1099 PolarHBondContact O-N 2.87Å |
| 1096 | Q | 80.2 | Confident | 77.2 | Confident | 113 Ų | 113 | 99.5 Ų | 99.5 | 53% | 0.528 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -49.7 | 169.4 | -179.3 | 176.1 | -28.5 | 0 | 0 | 110.3 | K1092 D1093 R1098 S1099 E1100 | K1092-Q1096 WeakPolarHBondContact O-CB 3.35Å; K1092-Q1096 PolarHBondContact O-N 2.82Å; D1093-Q1096 PolarHBondContact O-N 2.83Å; Q1096-R1098 VanDerWaalsContact C-N 3.27Å; Q1096-R1098 PolarHBondContact O-N 2.84Å; Q1096-S1099 CarbonylContact O-C 3.48Å; Q1096-S1099 WeakPolarHBondContact O-CA 3.43Å; Q1096-S1099 VanDerWaalsContact O-CB 3.31Å; Q1096-S1099 WeakPolarHBondContact O-CB 3.5Å; Q1096-S1099 PolarHBondContact O-N 3.5Å; Q1096-E1100 HydrophobicContact CG-CG 4.46Å; Q1096-E1100 VanDerWaalsContact CG-OE1 3.32Å; Q1096-E1100 WeakPolarHBondContact CG-OE1 3.42Å; Q1096-E1100 PolarHBondContact NE2-OE1 3.06Å; Q1096-E1100 WeakPolarHBondContact O-CG 3.28Å; Q1096-E1100 PolarHBondContact O-N 3.41Å |
| 1097 | Q | 81.1 | Confident | 77.3 | Confident | 111 Ų | 111 | 98.3 Ų | 98.3 | 52% | 0.519 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -57.5 | -39.1 | 173.5 | -74.7 | 173.5 | -5 | 0 | 0 | 112.1 | D1093 E1100 L1101 | D1093-Q1097 WeakPolarHBondContact O-CB 3.47Å; D1093-Q1097 VanDerWaalsContact O-CG 3.3Å; D1093-Q1097 WeakPolarHBondContact O-CG 3.11Å; D1093-Q1097 PolarHBondContact O-N 2.8Å; Q1097-E1100 PolarHBondContact O-N 3.34Å; Q1097-L1101 VanDerWaalsContact O-CB 3.29Å; Q1097-L1101 WeakPolarHBondContact O-CB 3.25Å; Q1097-L1101 VanDerWaalsContact O-CG 3.28Å; Q1097-L1101 WeakPolarHBondContact O-CG 3.4Å; Q1097-L1101 PolarHBondContact O-N 2.87Å |
| 1098 | R | 78.1 | Confident | 77.3 | Confident | 150 Ų | 150 | 98.2 Ų | 98.2 | 57% | 0.566 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -67.6 | -35.5 | 173.5 | -169.7 | -172.3 | 65.9 | -173.2 | -10.2 | 111.8 | C1094 E1095 Q1096 C1102 | C1094-R1098 VanDerWaalsContact O-CB 3.26Å; C1094-R1098 WeakPolarHBondContact O-CB 3.18Å; C1094-R1098 PolarHBondContact O-N 3.22Å; E1095-R1098 PolarHBondContact O-N 3.33Å; E1095-R1098 IonicContact OE1-NH2 3.39Å; Q1096-R1098 VanDerWaalsContact C-N 3.27Å; Q1096-R1098 PolarHBondContact O-N 2.84Å; R1098-C1102 VanDerWaalsContact O-CB 3.22Å; R1098-C1102 WeakPolarHBondContact O-CB 3.38Å; R1098-C1102 PolarHBondContact O-N 3.21Å; R1098-C1102 PolarHBondContact O-SG 3.37Å |
| 1099 | S | 78.2 | Confident | 77.6 | Confident | 56 Ų | 56 | 98.8 Ų | 98.8 | 39% | 0.392 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -65.7 | -44.8 | 173.6 | -169 | 0 | 0 | 0 | 0 | 111.1 | E1095 Q1096 C1102 Q1103 | E1095-S1099 WeakPolarHBondContact O-CB 3.43Å; E1095-S1099 PolarHBondContact O-N 2.87Å; Q1096-S1099 CarbonylContact O-C 3.48Å; Q1096-S1099 WeakPolarHBondContact O-CA 3.43Å; Q1096-S1099 VanDerWaalsContact O-CB 3.31Å; Q1096-S1099 WeakPolarHBondContact O-CB 3.5Å; Q1096-S1099 PolarHBondContact O-N 3.5Å; S1099-C1102 PolarHBondContact O-N 3.4Å; S1099-Q1103 WeakPolarHBondContact O-CB 3.11Å; S1099-Q1103 VanDerWaalsContact O-CG 3.32Å; S1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; S1099-Q1103 PolarHBondContact O-N 3.36Å |
| 1100 | E | 81.2 | Confident | 77.7 | Confident | 100 Ų | 100 | 101.5 Ų | 101.5 | 47% | 0.467 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.5 | -43.5 | 176 | -70.2 | 170.4 | -169.8 | 0 | 0 | 111.3 | Q1096 Q1097 Q1103 Q1104 | Q1096-E1100 HydrophobicContact CG-CG 4.46Å; Q1096-E1100 VanDerWaalsContact CG-OE1 3.32Å; Q1096-E1100 WeakPolarHBondContact CG-OE1 3.42Å; Q1096-E1100 PolarHBondContact NE2-OE1 3.06Å; Q1096-E1100 WeakPolarHBondContact O-CG 3.28Å; Q1096-E1100 PolarHBondContact O-N 3.41Å; Q1097-E1100 PolarHBondContact O-N 3.34Å; E1100-Q1103 PolarHBondContact O-N 3Å; E1100-Q1104 WeakPolarHBondContact O-CB 3.5Å; E1100-Q1104 PolarHBondContact O-N 3.08Å |
| 1101 | L | 75.6 | Confident | 77.6 | Confident | 108 Ų | 108 | 99.8 Ų | 99.8 | 57% | 0.565 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -65.2 | -38.3 | 172.1 | -75.4 | 169.3 | 0 | 0 | 0 | 112.5 | Q1097 Q1104 I1105 | Q1097-L1101 VanDerWaalsContact O-CB 3.29Å; Q1097-L1101 WeakPolarHBondContact O-CB 3.25Å; Q1097-L1101 VanDerWaalsContact O-CG 3.28Å; Q1097-L1101 WeakPolarHBondContact O-CG 3.4Å; Q1097-L1101 PolarHBondContact O-N 2.87Å; L1101-Q1104 PolarHBondContact O-N 3.07Å; L1101-I1105 WeakPolarHBondContact O-CB 3.42Å; L1101-I1105 VanDerWaalsContact O-CG1 3.23Å; L1101-I1105 WeakPolarHBondContact O-CG1 3.34Å; L1101-I1105 PolarHBondContact O-N 2.78Å |
| 1102 | C | 73.9 | Confident | 77.6 | Confident | 72 Ų | 72 | 98 Ų | 98 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.4 | -37.6 | 173.8 | -74.8 | 0 | 0 | 0 | 0 | 111.6 | R1098 S1099 I1105 N1106 | R1098-C1102 VanDerWaalsContact O-CB 3.22Å; R1098-C1102 WeakPolarHBondContact O-CB 3.38Å; R1098-C1102 PolarHBondContact O-N 3.21Å; R1098-C1102 PolarHBondContact O-SG 3.37Å; S1099-C1102 PolarHBondContact O-N 3.4Å; C1102-I1105 PolarHBondContact O-N 2.89Å; C1102-N1106 WeakPolarHBondContact O-CB 3.29Å; C1102-N1106 PolarHBondContact O-N 3Å |
| 1103 | Q | 76.7 | Confident | 77.5 | Confident | 120 Ų | 120 | 94 Ų | 94 | 56% | 0.561 | 48% | 0.479 | S | S | * | . | H | α-helix | trans | -66 | -43 | 173 | -73.8 | 178.3 | 37.8 | 0 | 0 | 110.9 | S1099 E1100 N1106 I1107 | S1099-Q1103 WeakPolarHBondContact O-CB 3.11Å; S1099-Q1103 VanDerWaalsContact O-CG 3.32Å; S1099-Q1103 WeakPolarHBondContact O-CG 3.4Å; S1099-Q1103 PolarHBondContact O-N 3.36Å; E1100-Q1103 PolarHBondContact O-N 3Å; Q1103-N1106 PolarHBondContact O-N 2.88Å; Q1103-I1107 WeakPolarHBondContact O-CB 3.19Å; Q1103-I1107 VanDerWaalsContact O-CG1 3.25Å; Q1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; Q1103-I1107 PolarHBondContact O-N 3.15Å |
| 1104 | Q | 81.3 | Confident | 77.5 | Confident | 92 Ų | 92 | 91.7 Ų | 91.7 | 43% | 0.43 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.2 | -47 | 173.7 | -178.1 | 61.6 | 24.5 | 0 | 0 | 111.4 | E1100 L1101 N1106 I1107 E1108 | E1100-Q1104 WeakPolarHBondContact O-CB 3.5Å; E1100-Q1104 PolarHBondContact O-N 3.08Å; L1101-Q1104 PolarHBondContact O-N 3.07Å; Q1104-N1106 VanDerWaalsContact C-N 3.32Å; Q1104-N1106 PolarHBondContact O-N 3.46Å; Q1104-I1107 PolarHBondContact O-N 3.46Å; Q1104-E1108 PolarHBondContact NE2-OE1 3.25Å; Q1104-E1108 WeakPolarHBondContact O-CB 3.2Å; Q1104-E1108 WeakPolarHBondContact O-CG 3.33Å; Q1104-E1108 PolarHBondContact O-N 2.77Å |
| 1105 | I | 78.2 | Confident | 78.2 | Confident | 85 Ų | 85 | 93.3 Ų | 93.3 | 44% | 0.436 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -64 | -35.3 | 175.2 | -70.4 | 165.3 | 0 | 0 | 0 | 111.3 | L1101 C1102 E1108 Q1109 | L1101-I1105 WeakPolarHBondContact O-CB 3.42Å; L1101-I1105 VanDerWaalsContact O-CG1 3.23Å; L1101-I1105 WeakPolarHBondContact O-CG1 3.34Å; L1101-I1105 PolarHBondContact O-N 2.78Å; C1102-I1105 PolarHBondContact O-N 2.89Å; I1105-E1108 PolarHBondContact O-N 3.21Å; I1105-Q1109 HydrophobicContact CG2-CG 4.38Å; I1105-Q1109 VanDerWaalsContact O-CB 3.31Å; I1105-Q1109 WeakPolarHBondContact O-CB 3.33Å; I1105-Q1109 VanDerWaalsContact O-CG 3.26Å; I1105-Q1109 WeakPolarHBondContact O-CG 3.34Å; I1105-Q1109 PolarHBondContact O-N 2.97Å |
| 1106 | N | 78.5 | Confident | 78.3 | Confident | 73 Ų | 73 | 96.9 Ų | 96.9 | 39% | 0.39 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -72 | -35.9 | 176.8 | -158.1 | -74.8 | 0 | 0 | 0 | 111.5 | C1102 Q1103 Q1104 K1110 | C1102-N1106 WeakPolarHBondContact O-CB 3.29Å; C1102-N1106 PolarHBondContact O-N 3Å; Q1103-N1106 PolarHBondContact O-N 2.88Å; Q1104-N1106 VanDerWaalsContact C-N 3.32Å; Q1104-N1106 PolarHBondContact O-N 3.46Å; N1106-K1110 WeakPolarHBondContact O-CB 3.33Å; N1106-K1110 WeakPolarHBondContact O-CD 3.26Å; N1106-K1110 VanDerWaalsContact O-CG 3.27Å; N1106-K1110 WeakPolarHBondContact O-CG 3.41Å; N1106-K1110 PolarHBondContact O-N 3.01Å; N1106-K1110 WeakPolarHBondContact OD1-CE 3.17Å; N1106-K1110 PolarHBondContact OD1-NZ 3.36Å |
| 1107 | I | 80.7 | Confident | 78.2 | Confident | 92 Ų | 92 | 96.3 Ų | 96.3 | 47% | 0.472 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -65.1 | -44.6 | 169.9 | -69.6 | 163.1 | 0 | 0 | 0 | 110 | Q1103 Q1104 K1110 T1111 | Q1103-I1107 WeakPolarHBondContact O-CB 3.19Å; Q1103-I1107 VanDerWaalsContact O-CG1 3.25Å; Q1103-I1107 WeakPolarHBondContact O-CG1 3.46Å; Q1103-I1107 PolarHBondContact O-N 3.15Å; Q1104-I1107 PolarHBondContact O-N 3.46Å; I1107-K1110 CarbonylContact O-C 3.53Å; I1107-K1110 WeakPolarHBondContact O-CB 3.49Å; I1107-K1110 PolarHBondContact O-N 3.45Å; I1107-K1110 VanDerWaalsContact O-N 3.16Å; I1107-T1111 WeakPolarHBondContact O-CG2 3.38Å; I1107-T1111 PolarHBondContact O-N 3.16Å; I1107-T1111 PolarHBondContact O-OG1 2.91Å |
| 1108 | E | 75.7 | Confident | 78.2 | Confident | 95 Ų | 95 | 96.8 Ų | 96.8 | 44% | 0.444 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -67.1 | -35.8 | 176.2 | -74.7 | 176.2 | -162.7 | 0 | 0 | 112.6 | Q1104 I1105 K1110 T1111 V1112 | Q1104-E1108 PolarHBondContact NE2-OE1 3.25Å; Q1104-E1108 WeakPolarHBondContact O-CB 3.2Å; Q1104-E1108 WeakPolarHBondContact O-CG 3.33Å; Q1104-E1108 PolarHBondContact O-N 2.77Å; I1105-E1108 PolarHBondContact O-N 3.21Å; E1108-K1110 VanDerWaalsContact C-N 3.33Å; E1108-T1111 WeakPolarHBondContact CA-OG1 3.29Å; E1108-T1111 PolarHBondContact O-N 3.35Å; E1108-T1111 PolarHBondContact O-OG1 3.26Å; E1108-V1112 WeakPolarHBondContact O-CB 3.38Å; E1108-V1112 WeakPolarHBondContact O-CG2 3.34Å; E1108-V1112 PolarHBondContact O-N 3.21Å |
| 1109 | Q | 80.9 | Confident | 78.4 | Confident | 117 Ų | 117 | 95.4 Ų | 95.4 | 55% | 0.547 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -66.8 | -36.1 | 170.6 | -78 | 177.2 | -2.5 | 0 | 0 | 111 | I1105 S1113 | I1105-Q1109 HydrophobicContact CG2-CG 4.38Å; I1105-Q1109 VanDerWaalsContact O-CB 3.31Å; I1105-Q1109 WeakPolarHBondContact O-CB 3.33Å; I1105-Q1109 VanDerWaalsContact O-CG 3.26Å; I1105-Q1109 WeakPolarHBondContact O-CG 3.34Å; I1105-Q1109 PolarHBondContact O-N 2.97Å; Q1109-S1113 WeakPolarHBondContact O-CB 3.43Å; Q1109-S1113 PolarHBondContact O-N 2.87Å; Q1109-S1113 PolarHBondContact O-OG 2.84Å |
| 1110 | K | 79.5 | Confident | 78.6 | Confident | 135 Ų | 135 | 97.1 Ų | 97.1 | 59% | 0.587 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -70.9 | -39.6 | 174.9 | -79.3 | 166 | 176.1 | 157.8 | 0 | 112.2 | N1106 I1107 E1108 S1113 A1114 | N1106-K1110 WeakPolarHBondContact O-CB 3.33Å; N1106-K1110 WeakPolarHBondContact O-CD 3.26Å; N1106-K1110 VanDerWaalsContact O-CG 3.27Å; N1106-K1110 WeakPolarHBondContact O-CG 3.41Å; N1106-K1110 PolarHBondContact O-N 3.01Å; N1106-K1110 WeakPolarHBondContact OD1-CE 3.17Å; N1106-K1110 PolarHBondContact OD1-NZ 3.36Å; I1107-K1110 CarbonylContact O-C 3.53Å; I1107-K1110 WeakPolarHBondContact O-CB 3.49Å; I1107-K1110 PolarHBondContact O-N 3.45Å; I1107-K1110 VanDerWaalsContact O-N 3.16Å; E1108-K1110 VanDerWaalsContact C-N 3.33Å; K1110-S1113 PolarHBondContact O-N 3.28Å; K1110-A1114 VanDerWaalsContact O-CB 3.28Å; K1110-A1114 WeakPolarHBondContact O-CB 3.12Å; K1110-A1114 PolarHBondContact O-N 3.26Å |
| 1111 | T | 78.4 | Confident | 78.3 | Confident | 70 Ų | 70 | 97.4 Ų | 97.4 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -73.7 | -36.1 | 174.3 | 58 | 0 | 0 | 0 | 0 | 112.1 | I1107 E1108 S1113 A1114 L1115 | I1107-T1111 WeakPolarHBondContact O-CG2 3.38Å; I1107-T1111 PolarHBondContact O-N 3.16Å; I1107-T1111 PolarHBondContact O-OG1 2.91Å; E1108-T1111 WeakPolarHBondContact CA-OG1 3.29Å; E1108-T1111 PolarHBondContact O-N 3.35Å; E1108-T1111 PolarHBondContact O-OG1 3.26Å; T1111-S1113 VanDerWaalsContact C-N 3.33Å; T1111-A1114 PolarHBondContact O-N 2.86Å; T1111-L1115 VanDerWaalsContact O-CB 3.27Å; T1111-L1115 WeakPolarHBondContact O-CB 3.38Å; T1111-L1115 WeakPolarHBondContact O-CG 3.34Å; T1111-L1115 PolarHBondContact O-N 2.97Å |
| 1112 | V | 74.5 | Confident | 78.4 | Confident | 71 Ų | 71 | 97.3 Ų | 97.3 | 43% | 0.43 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -66.9 | -34.5 | 170.4 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | E1108 R1116 | E1108-V1112 WeakPolarHBondContact O-CB 3.38Å; E1108-V1112 WeakPolarHBondContact O-CG2 3.34Å; E1108-V1112 PolarHBondContact O-N 3.21Å; V1112-R1116 HydrophobicContact CG1-CG 4.5Å; V1112-R1116 WeakPolarHBondContact O-CB 3.49Å; V1112-R1116 WeakPolarHBondContact O-CG 3.44Å; V1112-R1116 PolarHBondContact O-N 3.42Å |
| 1113 | S | 75.8 | Confident | 78.7 | Confident | 59 Ų | 59 | 100.7 Ų | 100.7 | 41% | 0.413 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -70.9 | -40 | 172.9 | -59 | 0 | 0 | 0 | 0 | 111.8 | Q1109 K1110 T1111 R1116 N1117 | Q1109-S1113 WeakPolarHBondContact O-CB 3.43Å; Q1109-S1113 PolarHBondContact O-N 2.87Å; Q1109-S1113 PolarHBondContact O-OG 2.84Å; K1110-S1113 PolarHBondContact O-N 3.28Å; T1111-S1113 VanDerWaalsContact C-N 3.33Å; S1113-R1116 PolarHBondContact O-N 2.95Å; S1113-N1117 WeakPolarHBondContact O-CB 3.15Å; S1113-N1117 PolarHBondContact O-N 3.34Å; S1113-N1117 PolarHBondContact O-ND2 2.99Å; S1113-N1117 PolarHBondContact O-OD1 3.47Å |
| 1114 | A | 79.2 | Confident | 78.6 | Confident | 43 Ų | 43 | 98.9 Ų | 98.9 | 36% | 0.355 | 49% | 0.494 | S | S | . | . | H | α-helix | trans | -62.4 | -51.1 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111 | K1110 T1111 R1116 N1117 E1118 | K1110-A1114 VanDerWaalsContact O-CB 3.28Å; K1110-A1114 WeakPolarHBondContact O-CB 3.12Å; K1110-A1114 PolarHBondContact O-N 3.26Å; T1111-A1114 PolarHBondContact O-N 2.86Å; A1114-R1116 VanDerWaalsContact C-N 3.3Å; A1114-R1116 PolarHBondContact O-N 3.46Å; A1114-N1117 CarbonylContact O-C 3.58Å; A1114-N1117 PolarHBondContact O-N 2.88Å; A1114-N1117 VanDerWaalsContact O-N 3.07Å; A1114-E1118 WeakPolarHBondContact O-CB 3.5Å; A1114-E1118 WeakPolarHBondContact O-CG 3.43Å; A1114-E1118 PolarHBondContact O-N 3.19Å |
| 1115 | L | 79.9 | Confident | 78.2 | Confident | 105 Ų | 105 | 98.9 Ų | 98.9 | 55% | 0.55 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.3 | -32.2 | 176.4 | -71.3 | 168 | 0 | 0 | 0 | 112.7 | T1111 L1119 | T1111-L1115 VanDerWaalsContact O-CB 3.27Å; T1111-L1115 WeakPolarHBondContact O-CB 3.38Å; T1111-L1115 WeakPolarHBondContact O-CG 3.34Å; T1111-L1115 PolarHBondContact O-N 2.97Å; L1115-L1119 WeakPolarHBondContact O-CB 3.08Å; L1115-L1119 PolarHBondContact O-N 2.81Å |
| 1116 | R | 77.7 | Confident | 78.1 | Confident | 167 Ų | 167 | 99.7 Ų | 99.7 | 63% | 0.63 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -67.6 | -44.4 | 170 | -83.1 | 175.2 | 173.3 | -167.6 | -1.3 | 111.4 | V1112 S1113 A1114 L1119 I1120 | V1112-R1116 HydrophobicContact CG1-CG 4.5Å; V1112-R1116 WeakPolarHBondContact O-CB 3.49Å; V1112-R1116 WeakPolarHBondContact O-CG 3.44Å; V1112-R1116 PolarHBondContact O-N 3.42Å; S1113-R1116 PolarHBondContact O-N 2.95Å; A1114-R1116 VanDerWaalsContact C-N 3.3Å; A1114-R1116 PolarHBondContact O-N 3.46Å; R1116-L1119 PolarHBondContact O-N 3.2Å; R1116-I1120 VanDerWaalsContact O-CB 3.27Å; R1116-I1120 WeakPolarHBondContact O-CB 3.4Å; R1116-I1120 WeakPolarHBondContact O-CD1 3.27Å; R1116-I1120 WeakPolarHBondContact O-CG1 3.22Å; R1116-I1120 PolarHBondContact O-N 3.49Å |
| 1117 | N | 78.1 | Confident | 77.8 | Confident | 101 Ų | 101 | 102.5 Ų | 102.5 | 54% | 0.54 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -67.1 | -39.5 | 177.8 | -70.6 | -10.1 | 0 | 0 | 0 | 111.2 | S1113 A1114 I1120 M1121 | S1113-N1117 WeakPolarHBondContact O-CB 3.15Å; S1113-N1117 PolarHBondContact O-N 3.34Å; S1113-N1117 PolarHBondContact O-ND2 2.99Å; S1113-N1117 PolarHBondContact O-OD1 3.47Å; A1114-N1117 CarbonylContact O-C 3.58Å; A1114-N1117 PolarHBondContact O-N 2.88Å; A1114-N1117 VanDerWaalsContact O-N 3.07Å; N1117-I1120 PolarHBondContact O-N 2.72Å; N1117-M1121 VanDerWaalsContact O-CB 3.29Å; N1117-M1121 WeakPolarHBondContact O-CB 3.14Å; N1117-M1121 WeakPolarHBondContact O-CG 3.23Å; N1117-M1121 PolarHBondContact O-N 2.94Å |
| 1118 | E | 80.1 | Confident | 77.2 | Confident | 121 Ų | 121 | 104 Ų | 104 | 57% | 0.565 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -62.4 | -47.8 | 171.4 | -74.9 | 174.3 | -177 | 0 | 0 | 110.9 | A1114 I1120 M1121 E1122 | A1114-E1118 WeakPolarHBondContact O-CB 3.5Å; A1114-E1118 WeakPolarHBondContact O-CG 3.43Å; A1114-E1118 PolarHBondContact O-N 3.19Å; E1118-I1120 VanDerWaalsContact C-N 3.32Å; E1118-I1120 PolarHBondContact O-N 3.11Å; E1118-M1121 CarbonylContact O-C 3.47Å; E1118-M1121 PolarHBondContact O-N 2.98Å; E1118-M1121 VanDerWaalsContact O-N 3.17Å; E1118-E1122 WeakPolarHBondContact O-CB 3.36Å; E1118-E1122 PolarHBondContact O-N 3.19Å |
| 1119 | L | 81.6 | Confident | 76.7 | Confident | 121 Ų | 121 | 107 Ų | 107 | 63% | 0.634 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -65.2 | -33.7 | 176.5 | -172.8 | 69.2 | 0 | 0 | 0 | 112.6 | L1115 R1116 K1123 | L1115-L1119 WeakPolarHBondContact O-CB 3.08Å; L1115-L1119 PolarHBondContact O-N 2.81Å; R1116-L1119 PolarHBondContact O-N 3.2Å; L1119-K1123 WeakPolarHBondContact O-CB 3.29Å; L1119-K1123 PolarHBondContact O-N 3.29Å |
| 1120 | I | 82.6 | Confident | 76.3 | Confident | 93 Ų | 93 | 106.1 Ų | 106.1 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -69.8 | -40.5 | 172.8 | -73.6 | 164.2 | 0 | 0 | 0 | 110.1 | R1116 N1117 E1118 K1123 I1124 | R1116-I1120 VanDerWaalsContact O-CB 3.27Å; R1116-I1120 WeakPolarHBondContact O-CB 3.4Å; R1116-I1120 WeakPolarHBondContact O-CD1 3.27Å; R1116-I1120 WeakPolarHBondContact O-CG1 3.22Å; R1116-I1120 PolarHBondContact O-N 3.49Å; N1117-I1120 PolarHBondContact O-N 2.72Å; E1118-I1120 VanDerWaalsContact C-N 3.32Å; E1118-I1120 PolarHBondContact O-N 3.11Å; I1120-K1123 CarbonylContact O-C 3.56Å; I1120-K1123 PolarHBondContact O-N 2.78Å; I1120-I1124 HydrophobicContact CG2-CD1 3.7Å; I1120-I1124 HydrophobicContact CG2-CG1 4.42Å; I1120-I1124 WeakPolarHBondContact O-CB 3.14Å; I1120-I1124 WeakPolarHBondContact O-CG1 3.31Å; I1120-I1124 PolarHBondContact O-N 2.88Å |
| 1121 | M | 75.5 | Confident | 75.5 | Confident | 106 Ų | 106 | 102.8 Ų | 102.8 | 52% | 0.522 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.3 | -40.2 | 175.8 | -73.8 | -69.4 | -76.7 | 0 | 0 | 112 | N1117 E1118 I1124 Q1125 | N1117-M1121 VanDerWaalsContact O-CB 3.29Å; N1117-M1121 WeakPolarHBondContact O-CB 3.14Å; N1117-M1121 WeakPolarHBondContact O-CG 3.23Å; N1117-M1121 PolarHBondContact O-N 2.94Å; E1118-M1121 CarbonylContact O-C 3.47Å; E1118-M1121 PolarHBondContact O-N 2.98Å; E1118-M1121 VanDerWaalsContact O-N 3.17Å; M1121-I1124 PolarHBondContact O-N 2.82Å; M1121-Q1125 VanDerWaalsContact O-CB 3.32Å; M1121-Q1125 WeakPolarHBondContact O-CB 3.46Å; M1121-Q1125 VanDerWaalsContact O-CG 3.25Å; M1121-Q1125 WeakPolarHBondContact O-CG 3.4Å; M1121-Q1125 PolarHBondContact O-N 3.34Å |
| 1122 | E | 77.5 | Confident | 74.8 | Confident | 106 Ų | 106 | 104 Ų | 104 | 50% | 0.495 | 51% | 0.514 | S | S | . | . | H | α-helix | trans | -56.6 | -50.2 | 167.2 | -106.8 | -89.9 | 120 | 0 | 0 | 110.1 | E1118 I1124 Q1125 L1126 | E1118-E1122 WeakPolarHBondContact O-CB 3.36Å; E1118-E1122 PolarHBondContact O-N 3.19Å; E1122-I1124 VanDerWaalsContact C-N 3.34Å; E1122-I1124 PolarHBondContact O-N 3.32Å; E1122-Q1125 CarbonylContact O-C 3.59Å; E1122-Q1125 PolarHBondContact O-N 3.21Å; E1122-L1126 WeakPolarHBondContact O-CB 3.15Å; E1122-L1126 WeakPolarHBondContact O-CG 3.36Å; E1122-L1126 PolarHBondContact O-N 2.98Å |
| 1123 | K | 80.9 | Confident | 74 | Confident | 143 Ų | 143 | 105.4 Ų | 105.4 | 62% | 0.622 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -63.7 | -37.3 | 177.9 | -174.7 | 175.6 | 177.8 | -177.6 | 0 | 112.5 | L1119 I1120 Q1127 | L1119-K1123 WeakPolarHBondContact O-CB 3.29Å; L1119-K1123 PolarHBondContact O-N 3.29Å; I1120-K1123 CarbonylContact O-C 3.56Å; I1120-K1123 PolarHBondContact O-N 2.78Å; K1123-Q1127 WeakPolarHBondContact O-CB 3.26Å; K1123-Q1127 PolarHBondContact O-N 3.26Å |
| 1124 | I | 74.2 | Confident | 73.3 | Confident | 81 Ų | 81 | 109 Ų | 109 | 42% | 0.415 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -71 | -35.9 | 174.6 | -72.4 | 167 | 0 | 0 | 0 | 110.8 | I1120 M1121 E1122 K1128 | I1120-I1124 HydrophobicContact CG2-CD1 3.7Å; I1120-I1124 HydrophobicContact CG2-CG1 4.42Å; I1120-I1124 WeakPolarHBondContact O-CB 3.14Å; I1120-I1124 WeakPolarHBondContact O-CG1 3.31Å; I1120-I1124 PolarHBondContact O-N 2.88Å; M1121-I1124 PolarHBondContact O-N 2.82Å; E1122-I1124 VanDerWaalsContact C-N 3.34Å; E1122-I1124 PolarHBondContact O-N 3.32Å; I1124-K1128 VanDerWaalsContact O-CB 3.27Å; I1124-K1128 WeakPolarHBondContact O-CB 3.37Å; I1124-K1128 WeakPolarHBondContact O-CG 3.39Å; I1124-K1128 PolarHBondContact O-N 3.44Å |
| 1125 | Q | 73.3 | Confident | 72.1 | Confident | 93 Ų | 93 | 110.6 Ų | 110.6 | 44% | 0.435 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -71 | -39.1 | 174.1 | -76.3 | -178.1 | 38 | 0 | 0 | 112.1 | M1121 E1122 K1128 R1129 | M1121-Q1125 VanDerWaalsContact O-CB 3.32Å; M1121-Q1125 WeakPolarHBondContact O-CB 3.46Å; M1121-Q1125 VanDerWaalsContact O-CG 3.25Å; M1121-Q1125 WeakPolarHBondContact O-CG 3.4Å; M1121-Q1125 PolarHBondContact O-N 3.34Å; E1122-Q1125 CarbonylContact O-C 3.59Å; E1122-Q1125 PolarHBondContact O-N 3.21Å; Q1125-K1128 PolarHBondContact O-N 2.74Å; Q1125-R1129 VanDerWaalsContact O-CB 3.31Å; Q1125-R1129 WeakPolarHBondContact O-CB 3.42Å; Q1125-R1129 WeakPolarHBondContact O-CG 3.37Å; Q1125-R1129 PolarHBondContact O-N 3.01Å |
| 1126 | L | 75.9 | Confident | 70.4 | Confident | 101 Ų | 101 | 110.1 Ų | 110.1 | 53% | 0.529 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -66.6 | -40.9 | 171.5 | -74.6 | 168.7 | 0 | 0 | 0 | 111 | E1122 N1130 | E1122-L1126 WeakPolarHBondContact O-CB 3.15Å; E1122-L1126 WeakPolarHBondContact O-CG 3.36Å; E1122-L1126 PolarHBondContact O-N 2.98Å; L1126-N1130 WeakPolarHBondContact O-CB 3.42Å; L1126-N1130 PolarHBondContact O-N 3.16Å |
| 1127 | Q | 71.1 | Confident | 69 | Low | 132 Ų | 132 | 107.8 Ų | 107.8 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -69.1 | -38.7 | 175.5 | -174.6 | 170.5 | -13.7 | 0 | 0 | 111.6 | K1123 S1131 | K1123-Q1127 WeakPolarHBondContact O-CB 3.26Å; K1123-Q1127 PolarHBondContact O-N 3.26Å; Q1127-S1131 VanDerWaalsContact O-CB 3.31Å; Q1127-S1131 WeakPolarHBondContact O-CB 3.5Å; Q1127-S1131 PolarHBondContact O-N 3Å; Q1127-S1131 PolarHBondContact O-OG 3.38Å |
| 1128 | K | 68.3 | Low | 68 | Low | 125 Ų | 125 | 107 Ų | 107 | 54% | 0.543 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -60 | -58 | 169.3 | -89.6 | -166.6 | 166.2 | -170.2 | 0 | 110.6 | I1124 Q1125 N1130 S1131 E1132 | I1124-K1128 VanDerWaalsContact O-CB 3.27Å; I1124-K1128 WeakPolarHBondContact O-CB 3.37Å; I1124-K1128 WeakPolarHBondContact O-CG 3.39Å; I1124-K1128 PolarHBondContact O-N 3.44Å; Q1125-K1128 PolarHBondContact O-N 2.74Å; K1128-N1130 VanDerWaalsContact C-N 3.26Å; K1128-N1130 PolarHBondContact O-N 3.39Å; K1128-S1131 WeakPolarHBondContact CA-OG 3.31Å; K1128-S1131 CarbonylContact O-C 3.58Å; K1128-S1131 WeakPolarHBondContact O-CA 3.36Å; K1128-S1131 PolarHBondContact O-N 3.34Å; K1128-S1131 PolarHBondContact O-OG 2.85Å; K1128-E1132 WeakPolarHBondContact O-CB 3.46Å; K1128-E1132 VanDerWaalsContact O-CG 3.29Å; K1128-E1132 WeakPolarHBondContact O-CG 3.42Å; K1128-E1132 PolarHBondContact O-N 3.34Å |
| 1129 | R | 66.5 | Low | 66.5 | Low | 156 Ų | 156 | 104.1 Ų | 104.1 | 59% | 0.589 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -56.7 | -35 | 177.8 | -80.5 | -170.6 | 167.1 | 112.9 | 0.7 | 113.6 | Q1125 L1133 | Q1125-R1129 VanDerWaalsContact O-CB 3.31Å; Q1125-R1129 WeakPolarHBondContact O-CB 3.42Å; Q1125-R1129 WeakPolarHBondContact O-CG 3.37Å; Q1125-R1129 PolarHBondContact O-N 3.01Å; R1129-L1133 WeakPolarHBondContact O-CB 3.45Å; R1129-L1133 WeakPolarHBondContact O-CG 3.23Å; R1129-L1133 PolarHBondContact O-N 2.8Å |
| 1130 | N | 71.4 | Confident | 64.7 | Low | 99 Ų | 99 | 99.9 Ų | 99.9 | 53% | 0.529 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -74.1 | -36.5 | 175.2 | -168.2 | -3.8 | 0 | 0 | 0 | 111.6 | L1126 K1128 K1134 | L1126-N1130 WeakPolarHBondContact O-CB 3.42Å; L1126-N1130 PolarHBondContact O-N 3.16Å; K1128-N1130 VanDerWaalsContact C-N 3.26Å; K1128-N1130 PolarHBondContact O-N 3.39Å; N1130-K1134 WeakPolarHBondContact O-CB 3.36Å; N1130-K1134 PolarHBondContact O-N 2.91Å |
| 1131 | S | 63.3 | Low | 63.1 | Low | 66 Ų | 66 | 102.3 Ų | 102.3 | 46% | 0.462 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.2 | -34.5 | 171.8 | 71.9 | 0 | 0 | 0 | 0 | 112.9 | Q1127 K1128 C1135 | Q1127-S1131 VanDerWaalsContact O-CB 3.31Å; Q1127-S1131 WeakPolarHBondContact O-CB 3.5Å; Q1127-S1131 PolarHBondContact O-N 3Å; Q1127-S1131 PolarHBondContact O-OG 3.38Å; K1128-S1131 WeakPolarHBondContact CA-OG 3.31Å; K1128-S1131 CarbonylContact O-C 3.58Å; K1128-S1131 WeakPolarHBondContact O-CA 3.36Å; K1128-S1131 PolarHBondContact O-N 3.34Å; K1128-S1131 PolarHBondContact O-OG 2.85Å; S1131-C1135 WeakPolarHBondContact O-CB 3.48Å; S1131-C1135 PolarHBondContact O-N 3.33Å |
| 1132 | E | 64.2 | Low | 62 | Low | 94 Ų | 94 | 104.9 Ų | 104.9 | 44% | 0.439 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -69.5 | -46.9 | 173.5 | -71.7 | 157.5 | -166.8 | 0 | 0 | 109.7 | K1128 K1134 C1135 I1136 | K1128-E1132 WeakPolarHBondContact O-CB 3.46Å; K1128-E1132 VanDerWaalsContact O-CG 3.29Å; K1128-E1132 WeakPolarHBondContact O-CG 3.42Å; K1128-E1132 PolarHBondContact O-N 3.34Å; E1132-K1134 PolarHBondContact O-N 3.21Å; E1132-C1135 PolarHBondContact O-N 3.19Å; E1132-I1136 VanDerWaalsContact O-CB 3.28Å; E1132-I1136 WeakPolarHBondContact O-CB 3.49Å; E1132-I1136 WeakPolarHBondContact O-CD1 3.46Å; E1132-I1136 WeakPolarHBondContact O-CG1 3.44Å; E1132-I1136 PolarHBondContact O-N 3.17Å |
| 1133 | L | 57.8 | Low | 60.7 | Low | 101 Ų | 101 | 109 Ų | 109 | 53% | 0.529 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.1 | -46.1 | 171.4 | -90.3 | 163.5 | 0 | 0 | 0 | 112 | R1129 I1136 Q1137 | R1129-L1133 WeakPolarHBondContact O-CB 3.45Å; R1129-L1133 WeakPolarHBondContact O-CG 3.23Å; R1129-L1133 PolarHBondContact O-N 2.8Å; L1133-I1136 PolarHBondContact O-N 2.73Å; L1133-Q1137 WeakPolarHBondContact O-CB 3.33Å; L1133-Q1137 PolarHBondContact O-N 3.5Å |
| 1134 | K | 60.3 | Low | 59 | Low | 134 Ų | 134 | 105.4 Ų | 105.4 | 58% | 0.583 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -63.6 | -40.9 | 174.3 | -95.4 | -175.2 | 169.5 | -179.7 | 0 | 112.5 | N1130 E1132 V1138 | N1130-K1134 WeakPolarHBondContact O-CB 3.36Å; N1130-K1134 PolarHBondContact O-N 2.91Å; E1132-K1134 PolarHBondContact O-N 3.21Å; K1134-V1138 VanDerWaalsContact O-CB 3.31Å; K1134-V1138 WeakPolarHBondContact O-CB 3.3Å; K1134-V1138 VanDerWaalsContact O-CG2 3.24Å; K1134-V1138 WeakPolarHBondContact O-CG2 3.5Å; K1134-V1138 PolarHBondContact O-N 3.15Å |
| 1135 | C | 53 | Low | 57.2 | Low | 77 Ų | 77 | 107.1 Ų | 107.1 | 52% | 0.52 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -66.7 | -40 | 177.7 | -166.3 | 0 | 0 | 0 | 0 | 111.2 | S1131 E1132 C1139 | S1131-C1135 WeakPolarHBondContact O-CB 3.48Å; S1131-C1135 PolarHBondContact O-N 3.33Å; E1132-C1135 PolarHBondContact O-N 3.19Å; C1135-C1139 WeakPolarHBondContact O-CB 3.47Å; C1135-C1139 PolarHBondContact O-N 3.47Å; C1135-C1139 PolarHBondContact O-SG 3.13Å |
| 1136 | I | 44.5 | Very low | 56 | Low | 95 Ų | 95 | 106.5 Ų | 106.5 | 49% | 0.487 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68 | -45.7 | 176.3 | -71 | 164.4 | 0 | 0 | 0 | 110.3 | E1132 L1133 C1139 L1140 | E1132-I1136 VanDerWaalsContact O-CB 3.28Å; E1132-I1136 WeakPolarHBondContact O-CB 3.49Å; E1132-I1136 WeakPolarHBondContact O-CD1 3.46Å; E1132-I1136 WeakPolarHBondContact O-CG1 3.44Å; E1132-I1136 PolarHBondContact O-N 3.17Å; L1133-I1136 PolarHBondContact O-N 2.73Å; I1136-C1139 CarbonylContact O-C 3.57Å; I1136-C1139 PolarHBondContact O-N 3.09Å; I1136-L1140 HydrophobicContact CG2-CD1 3.64Å; I1136-L1140 HydrophobicContact CG2-CG 4.25Å; I1136-L1140 WeakPolarHBondContact O-CB 3.39Å; I1136-L1140 VanDerWaalsContact O-CG 3.25Å; I1136-L1140 WeakPolarHBondContact O-CG 3.22Å; I1136-L1140 PolarHBondContact O-N 3.07Å |
| 1137 | Q | 49.8 | Very low | 54.8 | Low | 118 Ų | 118 | 109.5 Ų | 109.5 | 55% | 0.551 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -57.7 | -51.2 | 175.3 | -175.6 | 176.9 | 12.3 | 0 | 0 | 111.1 | L1133 C1139 L1140 E1141 | L1133-Q1137 WeakPolarHBondContact O-CB 3.33Å; L1133-Q1137 PolarHBondContact O-N 3.5Å; Q1137-C1139 VanDerWaalsContact C-N 3.33Å; Q1137-C1139 PolarHBondContact O-N 3.33Å; Q1137-L1140 PolarHBondContact O-N 2.8Å; Q1137-E1141 PolarHBondContact O-N 3.17Å |
| 1138 | V | 56.6 | Low | 53.8 | Low | 84 Ų | 84 | 108.5 Ų | 108.5 | 51% | 0.509 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -63.9 | -36.2 | 176.7 | 170.1 | 0 | 0 | 0 | 0 | 111.7 | K1134 K1142 | K1134-V1138 VanDerWaalsContact O-CB 3.31Å; K1134-V1138 WeakPolarHBondContact O-CB 3.3Å; K1134-V1138 VanDerWaalsContact O-CG2 3.24Å; K1134-V1138 WeakPolarHBondContact O-CG2 3.5Å; K1134-V1138 PolarHBondContact O-N 3.15Å; V1138-K1142 WeakPolarHBondContact O-CB 3.29Å; V1138-K1142 PolarHBondContact O-N 2.82Å; V1138-K1142 VanDerWaalsContact O-N 3.09Å |
| 1139 | C | 48.3 | Very low | 52.5 | Low | 62 Ų | 62 | 107 Ų | 107 | 42% | 0.419 | 55% | 0.547 | S | S | . | . | H | α-helix | trans | -69.2 | -36.5 | 174.4 | -80.7 | 0 | 0 | 0 | 0 | 112.8 | C1135 I1136 Q1137 K1142 Y1143 | C1135-C1139 WeakPolarHBondContact O-CB 3.47Å; C1135-C1139 PolarHBondContact O-N 3.47Å; C1135-C1139 PolarHBondContact O-SG 3.13Å; I1136-C1139 CarbonylContact O-C 3.57Å; I1136-C1139 PolarHBondContact O-N 3.09Å; Q1137-C1139 VanDerWaalsContact C-N 3.33Å; Q1137-C1139 PolarHBondContact O-N 3.33Å; C1139-K1142 PolarHBondContact O-N 3.07Å; C1139-Y1143 WeakPolarHBondContact O-CD2 3.19Å; C1139-Y1143 PolarHBondContact O-N 3.19Å |
| 1140 | L | 44.5 | Very low | 51.9 | Low | 32 Ų | 32 | 105.4 Ų | 105.4 | 17% | 0.168 | 54% | 0.544 | C | S | . | . | H | α-helix | trans | -74.9 | -41.7 | 179.5 | -71.8 | 169.9 | 0 | 0 | 0 | 112 | I1136 Q1137 K1142 Y1143 G1144 L1145 W1149 | I1136-L1140 HydrophobicContact CG2-CD1 3.64Å; I1136-L1140 HydrophobicContact CG2-CG 4.25Å; I1136-L1140 WeakPolarHBondContact O-CB 3.39Å; I1136-L1140 VanDerWaalsContact O-CG 3.25Å; I1136-L1140 WeakPolarHBondContact O-CG 3.22Å; I1136-L1140 PolarHBondContact O-N 3.07Å; Q1137-L1140 PolarHBondContact O-N 2.8Å; L1140-K1142 VanDerWaalsContact C-N 3.28Å; L1140-K1142 PolarHBondContact O-N 2.82Å; L1140-Y1143 CarbonylContact O-C 3.6Å; L1140-Y1143 PolarHBondContact O-N 3.35Å; L1140-G1144 PolarHBondContact O-N 3.13Å; L1140-L1145 HydrophobicContact CD2-CD1 4.11Å; L1140-W1149 HydrophobicContact CD1-CE3 4.17Å; L1140-W1149 HydrophobicContact CD1-CH2 3.97Å; L1140-W1149 HydrophobicContact CD1-CZ3 3.41Å; L1140-W1149 VanDerWaalsContact CD1-CZ3 3.41Å |
| 1141 | E | 49.3 | Very low | 51 | Low | 143 Ų | 143 | 105.5 Ų | 105.5 | 67% | 0.668 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -56 | -45.5 | 168.2 | -77.2 | -172.2 | 114.7 | 0 | 0 | 110.8 | Q1137 Y1143 G1144 | Q1137-E1141 PolarHBondContact O-N 3.17Å; E1141-Y1143 PolarHBondContact O-N 2.8Å; E1141-Y1143 VanDerWaalsContact O-N 3.15Å; E1141-G1144 PolarHBondContact O-N 2.69Å; E1141-G1144 VanDerWaalsContact O-N 3.13Å |
| 1142 | K | 52 | Low | 50.4 | Low | 160 Ų | 160 | 109.4 Ų | 109.4 | 70% | 0.696 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.3 | -14 | -179 | -169.2 | 173.1 | -175 | -179.8 | 0 | 114.3 | V1138 C1139 L1140 | V1138-K1142 WeakPolarHBondContact O-CB 3.29Å; V1138-K1142 PolarHBondContact O-N 2.82Å; V1138-K1142 VanDerWaalsContact O-N 3.09Å; C1139-K1142 PolarHBondContact O-N 3.07Å; L1140-K1142 VanDerWaalsContact C-N 3.28Å; L1140-K1142 PolarHBondContact O-N 2.82Å |
| 1143 | Y | 50.4 | Low | 49.8 | Very low | 194 Ų | 194 | 108 Ų | 108 | 76% | 0.761 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -118.9 | 10.7 | 173 | -71.8 | -71.4 | 0 | 0 | 0 | 114.3 | C1139 L1140 E1141 | C1139-Y1143 WeakPolarHBondContact O-CD2 3.19Å; C1139-Y1143 PolarHBondContact O-N 3.19Å; L1140-Y1143 CarbonylContact O-C 3.6Å; L1140-Y1143 PolarHBondContact O-N 3.35Å; E1141-Y1143 PolarHBondContact O-N 2.8Å; E1141-Y1143 VanDerWaalsContact O-N 3.15Å |
| 1144 | G | 43.2 | Very low | 49.5 | Very low | 67 Ų | 67 | 106.8 Ų | 106.8 | 69% | 0.691 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 75.4 | 33.7 | 158 | 0 | 0 | 0 | 0 | 0 | 117.1 | L1140 E1141 | L1140-G1144 PolarHBondContact O-N 3.13Å; E1141-G1144 PolarHBondContact O-N 2.69Å; E1141-G1144 VanDerWaalsContact O-N 3.13Å |
| 1145 | L | 38.4 | Very low | 48.8 | Very low | 116 Ų | 116 | 104.3 Ų | 104.3 | 61% | 0.607 | 55% | 0.551 | S | S | * | * | trans | -93.4 | 136.7 | 173.8 | -69.5 | 170 | 0 | 0 | 0 | 111.5 | L1140 | L1140-L1145 HydrophobicContact CD2-CD1 4.11Š| ||
| 1146 | S | 46.7 | Very low | 48.3 | Very low | 80 Ų | 80 | 107 Ų | 107 | 56% | 0.559 | 55% | 0.553 | S | S | * | * | trans | -71.1 | 149.1 | -170.5 | -163.3 | 0 | 0 | 0 | 0 | 113.9 | D1148 W1149 | S1146-D1148 VanDerWaalsContact CB-OD2 3.27Å; S1146-D1148 WeakPolarHBondContact CB-OD2 3.24Å; S1146-D1148 PolarHBondContact O-N 3.18Å; S1146-D1148 VanDerWaalsContact O-N 3.12Å; S1146-D1148 PolarHBondContact OG-OD2 3.01Å; S1146-W1149 PolarHBondContact O-N 2.87Å | ||
| 1147 | E | 50.6 | Low | 48.5 | Very low | 164 Ų | 164 | 111.3 Ų | 111.3 | 77% | 0.766 | 57% | 0.571 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58 | -23.7 | -178.7 | -169.4 | 172.3 | -170.7 | 0 | 0 | 113.6 | W1149 F1150 | E1147-W1149 PolarHBondContact O-N 2.98Å; E1147-W1149 VanDerWaalsContact O-N 3.09Å; E1147-F1150 WeakPolarHBondContact O-CB 3.19Å; E1147-F1150 PolarHBondContact O-N 3.07Å |
| 1148 | D | 50.6 | Low | 48.2 | Very low | 112 Ų | 112 | 111.7 Ų | 111.7 | 60% | 0.599 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -51.5 | -33.2 | 176.3 | -52.6 | -76.7 | 0 | 0 | 0 | 113.4 | S1146 F1150 N1151 E1152 | S1146-D1148 VanDerWaalsContact CB-OD2 3.27Å; S1146-D1148 WeakPolarHBondContact CB-OD2 3.24Å; S1146-D1148 PolarHBondContact O-N 3.18Å; S1146-D1148 VanDerWaalsContact O-N 3.12Å; S1146-D1148 PolarHBondContact OG-OD2 3.01Å; D1148-F1150 PolarHBondContact O-N 3.33Å; D1148-N1151 PolarHBondContact O-N 3.1Å; D1148-E1152 PolarHBondContact O-N 2.89Å |
| 1149 | W | 41.8 | Very low | 48 | Very low | 92 Ų | 92 | 111.4 Ų | 111.4 | 35% | 0.348 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -60 | -32.6 | 177.6 | -178.1 | 70.4 | 0 | 0 | 0 | 113 | L1140 S1146 E1147 F1169 | L1140-W1149 HydrophobicContact CD1-CE3 4.17Å; L1140-W1149 HydrophobicContact CD1-CH2 3.97Å; L1140-W1149 HydrophobicContact CD1-CZ3 3.41Å; L1140-W1149 VanDerWaalsContact CD1-CZ3 3.41Å; S1146-W1149 PolarHBondContact O-N 2.87Å; E1147-W1149 PolarHBondContact O-N 2.98Å; E1147-W1149 VanDerWaalsContact O-N 3.09Å; W1149-F1169 HydrophobicContact CZ2-CD1 4.26Å; W1149-F1169 HydrophobicContact CZ2-CE1 4.37Å; W1149-F1169 AromaticContact NE1-CD1 3.93Å; W1149-F1169 AromaticContact NE1-CE1 3.28Å; W1149-F1169 VanDerWaalsContact NE1-CE1 3.28Å; W1149-F1169 AromaticContact NE1-CZ 3.42Å |
| 1150 | F | 53.2 | Low | 48.3 | Very low | 123 Ų | 123 | 114.5 Ų | 114.5 | 54% | 0.539 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -75 | -30.5 | -179.6 | -158.6 | -92.1 | 0 | 0 | 0 | 112.4 | E1147 D1148 S1154 | E1147-F1150 WeakPolarHBondContact O-CB 3.19Å; E1147-F1150 PolarHBondContact O-N 3.07Å; D1148-F1150 PolarHBondContact O-N 3.33Å; F1150-S1154 WeakPolarHBondContact O-CB 3.1Å; F1150-S1154 PolarHBondContact O-N 3.27Å; F1150-S1154 VanDerWaalsContact O-N 3.13Å; F1150-S1154 PolarHBondContact O-OG 3.18Å |
| 1151 | N | 52.8 | Low | 48.6 | Very low | 101 Ų | 101 | 119.3 Ų | 119.3 | 54% | 0.54 | 61% | 0.612 | S | S | . | * | H | α-helix | trans | -71.6 | -39.2 | 179.4 | -70.3 | -48.6 | 0 | 0 | 0 | 112 | D1148 S1154 S1155 | D1148-N1151 PolarHBondContact O-N 3.1Å; N1151-S1154 PolarHBondContact O-N 3.43Å; N1151-S1155 PolarHBondContact O-N 3.19Å |
| 1152 | E | 50 | Low | 48.5 | Very low | 149 Ų | 149 | 116.1 Ų | 116.1 | 70% | 0.696 | 60% | 0.597 | S | S | * | * | H | α-helix | trans | -67.1 | -41.1 | 177.5 | -168.7 | 164.1 | -151.6 | 0 | 0 | 111.5 | D1148 S1154 S1155 | D1148-E1152 PolarHBondContact O-N 2.89Å; E1152-S1154 VanDerWaalsContact C-N 3.33Å; E1152-S1154 PolarHBondContact O-N 3.4Å; E1152-S1155 PolarHBondContact O-N 3.36Å; E1152-S1155 PolarHBondContact O-OG 3.05Å |
| 1153 | L | 51.2 | Low | 48.9 | Very low | 63 Ų | 63 | 111.7 Ų | 111.7 | 33% | 0.33 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -62.1 | -38.9 | 175 | -127.7 | 80.1 | 0 | 0 | 0 | 112.9 | S1155 Q1162 | L1153-S1155 VanDerWaalsContact C-N 3.28Å; L1153-S1155 PolarHBondContact O-N 2.89Å; L1153-Q1162 PolarHBondContact O-NE2 2.8Å |
| 1154 | S | 52.1 | Low | 49.4 | Very low | 76 Ų | 76 | 109.4 Ų | 109.4 | 53% | 0.531 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -70.9 | -21.3 | 178.6 | -59 | 0 | 0 | 0 | 0 | 113.2 | F1150 N1151 E1152 K1156 | F1150-S1154 WeakPolarHBondContact O-CB 3.1Å; F1150-S1154 PolarHBondContact O-N 3.27Å; F1150-S1154 VanDerWaalsContact O-N 3.13Å; F1150-S1154 PolarHBondContact O-OG 3.18Å; N1151-S1154 PolarHBondContact O-N 3.43Å; E1152-S1154 VanDerWaalsContact C-N 3.33Å; E1152-S1154 PolarHBondContact O-N 3.4Å; S1154-K1156 VanDerWaalsContact C-N 3.35Å; S1154-K1156 PolarHBondContact O-N 2.9Å |
| 1155 | S | 46.6 | Very low | 50.4 | Low | 82 Ų | 82 | 110.9 Ų | 110.9 | 57% | 0.573 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77.9 | -9.6 | -171.6 | 74.4 | 0 | 0 | 0 | 0 | 115.9 | N1151 E1152 L1153 | N1151-S1155 PolarHBondContact O-N 3.19Å; E1152-S1155 PolarHBondContact O-N 3.36Å; E1152-S1155 PolarHBondContact O-OG 3.05Å; L1153-S1155 VanDerWaalsContact C-N 3.28Å; L1153-S1155 PolarHBondContact O-N 2.89Å |
| 1156 | K | 42.6 | Very low | 51.4 | Low | 133 Ų | 133 | 109.2 Ų | 109.2 | 58% | 0.578 | 56% | 0.56 | S | S | * | * | trans | -132.3 | 87.7 | -175.2 | -72.9 | -176.7 | 180 | 174.8 | 0 | 112.3 | S1154 N1158 Q1162 | S1154-K1156 VanDerWaalsContact C-N 3.35Å; S1154-K1156 PolarHBondContact O-N 2.9Å; K1156-N1158 PolarHBondContact O-N 2.9Å; K1156-Q1162 VanDerWaalsContact O-CD 3.26Å; K1156-Q1162 VanDerWaalsContact O-CG 3.28Å; K1156-Q1162 WeakPolarHBondContact O-CG 3.46Å; K1156-Q1162 PolarHBondContact O-NE2 2.88Å; K1156-Q1162 VanDerWaalsContact O-NE2 3.08Å | ||
| 1157 | E | 47.6 | Very low | 52.3 | Low | 186 Ų | 186 | 110.1 Ų | 110.1 | 87% | 0.869 | 56% | 0.559 | S | S | * | * | trans | -65.7 | 3.5 | -172.8 | -149.2 | 166.8 | -157.3 | 0 | 0 | 115.9 | S1159 | E1157-S1159 PolarHBondContact O-N 3.01Š| ||
| 1158 | N | 44.6 | Very low | 53.2 | Low | 127 Ų | 127 | 105 Ų | 105 | 68% | 0.679 | 54% | 0.541 | S | S | * | . | trans | -91.2 | 94.1 | -177.6 | -79.1 | -39.4 | 0 | 0 | 0 | 112.1 | K1156 I1160 E1161 Q1162 | K1156-N1158 PolarHBondContact O-N 2.9Å; N1158-I1160 PolarHBondContact O-N 2.86Å; N1158-E1161 PolarHBondContact O-N 2.93Å; N1158-Q1162 PolarHBondContact O-N 3.01Å | ||
| 1159 | S | 52.4 | Low | 53.8 | Low | 77 Ų | 77 | 104.3 Ų | 104.3 | 54% | 0.538 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -39.2 | -37.2 | -176 | 174.8 | 0 | 0 | 0 | 0 | 117.2 | E1157 Q1162 T1163 | E1157-S1159 PolarHBondContact O-N 3.01Å; S1159-Q1162 PolarHBondContact O-N 3.09Å; S1159-T1163 PolarHBondContact O-N 2.8Å; S1159-T1163 PolarHBondContact O-OG1 3.05Å |
| 1160 | I | 52.9 | Low | 54.8 | Low | 127 Ų | 127 | 104.7 Ų | 104.7 | 65% | 0.651 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -76.5 | -26.9 | -174.8 | -60.7 | 173.1 | 0 | 0 | 0 | 113 | N1158 T1163 | N1158-I1160 PolarHBondContact O-N 2.86Å; I1160-T1163 PolarHBondContact O-OG1 3.3Å |
| 1161 | E | 51.8 | Low | 55.7 | Low | 133 Ų | 133 | 105.3 Ų | 105.3 | 62% | 0.621 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -83.7 | -34.4 | 170.3 | -69.6 | -165.8 | 155 | 0 | 0 | 111.1 | N1158 T1163 K1164 L1165 | N1158-E1161 PolarHBondContact O-N 2.93Å; E1161-T1163 PolarHBondContact O-N 3.25Å; E1161-K1164 PolarHBondContact O-N 3.48Å; E1161-L1165 WeakPolarHBondContact O-CB 3.14Å; E1161-L1165 PolarHBondContact O-N 3.13Å |
| 1162 | Q | 46.7 | Very low | 56.5 | Low | 76 Ų | 76 | 105.5 Ų | 105.5 | 36% | 0.355 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -57.9 | -45.1 | 174.2 | -70.1 | -178.1 | -41 | 0 | 0 | 111.9 | L1153 K1156 N1158 S1159 L1166 | L1153-Q1162 PolarHBondContact O-NE2 2.8Å; K1156-Q1162 VanDerWaalsContact O-CD 3.26Å; K1156-Q1162 VanDerWaalsContact O-CG 3.28Å; K1156-Q1162 WeakPolarHBondContact O-CG 3.46Å; K1156-Q1162 PolarHBondContact O-NE2 2.88Å; K1156-Q1162 VanDerWaalsContact O-NE2 3.08Å; N1158-Q1162 PolarHBondContact O-N 3.01Å; S1159-Q1162 PolarHBondContact O-N 3.09Å; Q1162-L1166 WeakPolarHBondContact O-CB 3.29Å; Q1162-L1166 PolarHBondContact O-N 2.88Å |
| 1163 | T | 60.1 | Low | 57.4 | Low | 68 Ų | 68 | 102.7 Ų | 102.7 | 42% | 0.417 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -46.5 | 177.3 | 50.9 | 0 | 0 | 0 | 0 | 112.2 | S1159 I1160 E1161 L1165 L1166 D1167 | S1159-T1163 PolarHBondContact O-N 2.8Å; S1159-T1163 PolarHBondContact O-OG1 3.05Å; I1160-T1163 PolarHBondContact O-OG1 3.3Å; E1161-T1163 PolarHBondContact O-N 3.25Å; T1163-L1165 PolarHBondContact O-N 2.87Å; T1163-L1166 CarbonylContact O-C 3.56Å; T1163-L1166 WeakPolarHBondContact O-CB 3.4Å; T1163-L1166 PolarHBondContact O-N 2.96Å; T1163-D1167 WeakPolarHBondContact O-CB 3.4Å; T1163-D1167 PolarHBondContact O-N 2.89Å |
| 1164 | K | 62.1 | Low | 58.4 | Low | 146 Ų | 146 | 104.2 Ų | 104.2 | 64% | 0.635 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -66.4 | -35.3 | -179.8 | -69.5 | -178.9 | 179.8 | -179.9 | 0 | 113.5 | E1161 S1168 | E1161-K1164 PolarHBondContact O-N 3.48Å; K1164-S1168 PolarHBondContact O-N 3.28Å |
| 1165 | L | 63 | Low | 59.4 | Low | 97 Ų | 97 | 105.5 Ų | 105.5 | 51% | 0.508 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -69 | -41.1 | 174 | -174.4 | 63 | 0 | 0 | 0 | 110.6 | E1161 T1163 S1168 F1169 | E1161-L1165 WeakPolarHBondContact O-CB 3.14Å; E1161-L1165 PolarHBondContact O-N 3.13Å; T1163-L1165 PolarHBondContact O-N 2.87Å; L1165-S1168 PolarHBondContact O-N 2.98Å; L1165-F1169 WeakPolarHBondContact O-CB 3.08Å; L1165-F1169 PolarHBondContact O-N 3.46Å |
| 1166 | L | 59.4 | Low | 60.6 | Low | 82 Ų | 82 | 107.2 Ų | 107.2 | 43% | 0.429 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -62.9 | -44.7 | 174.7 | -178.4 | 64.1 | 0 | 0 | 0 | 111.9 | Q1162 T1163 S1168 F1169 M1170 | Q1162-L1166 WeakPolarHBondContact O-CB 3.29Å; Q1162-L1166 PolarHBondContact O-N 2.88Å; T1163-L1166 CarbonylContact O-C 3.56Å; T1163-L1166 WeakPolarHBondContact O-CB 3.4Å; T1163-L1166 PolarHBondContact O-N 2.96Å; L1166-S1168 PolarHBondContact O-N 2.95Å; L1166-F1169 CarbonylContact O-C 3.59Å; L1166-F1169 WeakPolarHBondContact O-CB 3.05Å; L1166-F1169 PolarHBondContact O-N 2.79Å; L1166-F1169 VanDerWaalsContact O-N 3.16Å; L1166-M1170 HydrophobicContact CD1-CG 4.34Å; L1166-M1170 HydrophobicContact CG-CG 4.4Å; L1166-M1170 WeakPolarHBondContact O-CB 3.43Å; L1166-M1170 VanDerWaalsContact O-CG 3.24Å; L1166-M1170 WeakPolarHBondContact O-CG 3.09Å; L1166-M1170 PolarHBondContact O-N 3.16Å |
| 1167 | D | 66.8 | Low | 61.8 | Low | 99 Ų | 99 | 104.8 Ų | 104.8 | 53% | 0.529 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -58.6 | -47.4 | 176.9 | -66.8 | -30.2 | 0 | 0 | 0 | 110.7 | T1163 F1169 M1170 E1171 | T1163-D1167 WeakPolarHBondContact O-CB 3.4Å; T1163-D1167 PolarHBondContact O-N 2.89Å; D1167-F1169 VanDerWaalsContact C-N 3.33Å; D1167-F1169 PolarHBondContact O-N 3.45Å; D1167-M1170 PolarHBondContact O-N 3.36Å; D1167-E1171 PolarHBondContact O-N 2.81Å |
| 1168 | S | 68.1 | Low | 63.1 | Low | 57 Ų | 57 | 98.9 Ų | 98.9 | 40% | 0.399 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.5 | -32.4 | 176.4 | -169.8 | 0 | 0 | 0 | 0 | 113 | K1164 L1165 L1166 N1172 | K1164-S1168 PolarHBondContact O-N 3.28Å; L1165-S1168 PolarHBondContact O-N 2.98Å; L1166-S1168 PolarHBondContact O-N 2.95Å; S1168-N1172 PolarHBondContact O-N 2.82Å; S1168-N1172 PolarHBondContact O-ND2 3.49Å |
| 1169 | F | 64.5 | Low | 64.6 | Low | 96 Ų | 96 | 99.4 Ų | 99.4 | 42% | 0.421 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -68.6 | -39.3 | 171.5 | -118.6 | -89.6 | 0 | 0 | 0 | 112.1 | W1149 L1165 L1166 D1167 N1172 F1173 | W1149-F1169 HydrophobicContact CZ2-CD1 4.26Å; W1149-F1169 HydrophobicContact CZ2-CE1 4.37Å; W1149-F1169 AromaticContact NE1-CD1 3.93Å; W1149-F1169 AromaticContact NE1-CE1 3.28Å; W1149-F1169 VanDerWaalsContact NE1-CE1 3.28Å; W1149-F1169 AromaticContact NE1-CZ 3.42Å; L1165-F1169 WeakPolarHBondContact O-CB 3.08Å; L1165-F1169 PolarHBondContact O-N 3.46Å; L1166-F1169 CarbonylContact O-C 3.59Å; L1166-F1169 WeakPolarHBondContact O-CB 3.05Å; L1166-F1169 PolarHBondContact O-N 2.79Å; L1166-F1169 VanDerWaalsContact O-N 3.16Å; D1167-F1169 VanDerWaalsContact C-N 3.33Å; D1167-F1169 PolarHBondContact O-N 3.45Å; F1169-N1172 PolarHBondContact O-N 2.86Å; F1169-F1173 WeakPolarHBondContact O-CB 2.98Å; F1169-F1173 PolarHBondContact O-N 3.32Å |
| 1170 | M | 62.5 | Low | 65.4 | Low | 101 Ų | 101 | 100 Ų | 100 | 50% | 0.498 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.1 | -40.6 | 177.1 | -72.6 | -69.9 | -71.7 | 0 | 0 | 111.3 | L1166 D1167 F1173 I1174 | L1166-M1170 HydrophobicContact CD1-CG 4.34Å; L1166-M1170 HydrophobicContact CG-CG 4.4Å; L1166-M1170 WeakPolarHBondContact O-CB 3.43Å; L1166-M1170 VanDerWaalsContact O-CG 3.24Å; L1166-M1170 WeakPolarHBondContact O-CG 3.09Å; L1166-M1170 PolarHBondContact O-N 3.16Å; D1167-M1170 PolarHBondContact O-N 3.36Å; M1170-F1173 PolarHBondContact O-N 2.91Å; M1170-I1174 WeakPolarHBondContact O-CB 3.34Å; M1170-I1174 WeakPolarHBondContact O-CD1 3.37Å; M1170-I1174 WeakPolarHBondContact O-CG1 3.46Å; M1170-I1174 PolarHBondContact O-N 3.25Å |
| 1171 | E | 71.7 | Confident | 66.4 | Low | 136 Ų | 136 | 98.5 Ų | 98.5 | 64% | 0.636 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -58.1 | -48.4 | 171.2 | -73.6 | -173.7 | 136.8 | 0 | 0 | 111.7 | D1167 F1173 I1174 D1175 | D1167-E1171 PolarHBondContact O-N 2.81Å; E1171-F1173 VanDerWaalsContact C-N 3.33Å; E1171-F1173 PolarHBondContact O-N 3.45Å; E1171-I1174 PolarHBondContact O-N 2.79Å; E1171-D1175 PolarHBondContact O-N 3.5Å |
| 1172 | N | 68.9 | Low | 67.6 | Low | 105 Ų | 105 | 96.2 Ų | 96.2 | 56% | 0.561 | 49% | 0.486 | S | S | * | . | H | α-helix | trans | -61.9 | -38.4 | 176.7 | -81.6 | -85.9 | 0 | 0 | 0 | 112.6 | S1168 F1169 D1175 Q1176 | S1168-N1172 PolarHBondContact O-N 2.82Å; S1168-N1172 PolarHBondContact O-ND2 3.49Å; F1169-N1172 PolarHBondContact O-N 2.86Å; N1172-D1175 PolarHBondContact O-N 2.88Å; N1172-Q1176 WeakPolarHBondContact O-CB 3.42Å; N1172-Q1176 PolarHBondContact O-N 3.33Å |
| 1173 | F | 69.6 | Low | 69 | Low | 90 Ų | 90 | 96.8 Ų | 96.8 | 40% | 0.395 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -69.4 | -37.4 | 177.6 | -158.6 | -100 | 0 | 0 | 0 | 111.8 | F1169 M1170 E1171 Q1176 L1177 | F1169-F1173 WeakPolarHBondContact O-CB 2.98Å; F1169-F1173 PolarHBondContact O-N 3.32Å; M1170-F1173 PolarHBondContact O-N 2.91Å; E1171-F1173 VanDerWaalsContact C-N 3.33Å; E1171-F1173 PolarHBondContact O-N 3.45Å; F1173-Q1176 PolarHBondContact O-N 3.35Å; F1173-L1177 HydrophobicContact CD1-CD1 3.76Å; F1173-L1177 HydrophobicContact CD1-CG 4.08Å; F1173-L1177 HydrophobicContact CE1-CD1 3.77Å; F1173-L1177 HydrophobicContact CE1-CD2 4.36Å; F1173-L1177 HydrophobicContact CE1-CG 4.05Å; F1173-L1177 WeakPolarHBondContact O-CB 3.46Å; F1173-L1177 WeakPolarHBondContact O-CG 3.43Å; F1173-L1177 PolarHBondContact O-N 2.73Å |
| 1174 | I | 72.1 | Confident | 69.4 | Low | 95 Ų | 95 | 99.3 Ų | 99.3 | 49% | 0.487 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -63.9 | -43.3 | 172.8 | -71.6 | 163.6 | 0 | 0 | 0 | 110.7 | M1170 E1171 Q1176 L1177 T1178 | M1170-I1174 WeakPolarHBondContact O-CB 3.34Å; M1170-I1174 WeakPolarHBondContact O-CD1 3.37Å; M1170-I1174 WeakPolarHBondContact O-CG1 3.46Å; M1170-I1174 PolarHBondContact O-N 3.25Å; E1171-I1174 PolarHBondContact O-N 2.79Å; I1174-Q1176 VanDerWaalsContact C-N 3.33Å; I1174-Q1176 PolarHBondContact O-N 3.49Å; I1174-L1177 PolarHBondContact O-N 3.31Å; I1174-T1178 VanDerWaalsContact O-CB 3.32Å; I1174-T1178 WeakPolarHBondContact O-CB 3.47Å; I1174-T1178 PolarHBondContact O-N 3.31Å; I1174-T1178 PolarHBondContact O-OG1 2.72Å |
| 1175 | D | 73.2 | Confident | 69.8 | Low | 102 Ų | 102 | 96.4 Ų | 96.4 | 55% | 0.545 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.1 | -39.8 | 175 | -112 | 16.7 | 0 | 0 | 0 | 112.1 | E1171 N1172 T1178 K1179 | E1171-D1175 PolarHBondContact O-N 3.5Å; N1172-D1175 PolarHBondContact O-N 2.88Å; D1175-T1178 PolarHBondContact O-N 3.47Å; D1175-K1179 PolarHBondContact O-N 2.99Å |
| 1176 | Q | 71.9 | Confident | 70.4 | Confident | 119 Ų | 119 | 98.4 Ų | 98.4 | 56% | 0.556 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -71.3 | -39.9 | 178 | -167.4 | 170.3 | 4.9 | 0 | 0 | 112.3 | N1172 F1173 I1174 K1179 N1180 | N1172-Q1176 WeakPolarHBondContact O-CB 3.42Å; N1172-Q1176 PolarHBondContact O-N 3.33Å; F1173-Q1176 PolarHBondContact O-N 3.35Å; I1174-Q1176 VanDerWaalsContact C-N 3.33Å; I1174-Q1176 PolarHBondContact O-N 3.49Å; Q1176-K1179 PolarHBondContact O-N 3.44Å; Q1176-N1180 PolarHBondContact O-N 2.81Å; Q1176-N1180 VanDerWaalsContact O-N 3.11Å |
| 1177 | L | 68.5 | Low | 71.2 | Confident | 81 Ų | 81 | 98.8 Ų | 98.8 | 42% | 0.424 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -63.5 | -41.1 | 170.5 | -74 | 177.2 | 0 | 0 | 0 | 111.6 | F1173 I1174 K1179 N1180 I1181 | F1173-L1177 HydrophobicContact CD1-CD1 3.76Å; F1173-L1177 HydrophobicContact CD1-CG 4.08Å; F1173-L1177 HydrophobicContact CE1-CD1 3.77Å; F1173-L1177 HydrophobicContact CE1-CD2 4.36Å; F1173-L1177 HydrophobicContact CE1-CG 4.05Å; F1173-L1177 WeakPolarHBondContact O-CB 3.46Å; F1173-L1177 WeakPolarHBondContact O-CG 3.43Å; F1173-L1177 PolarHBondContact O-N 2.73Å; I1174-L1177 PolarHBondContact O-N 3.31Å; L1177-K1179 VanDerWaalsContact C-N 3.34Å; L1177-K1179 PolarHBondContact O-N 2.81Å; L1177-N1180 PolarHBondContact O-N 3.37Å; L1177-N1180 VanDerWaalsContact O-N 3.14Å; L1177-I1181 WeakPolarHBondContact O-CB 3.38Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.43Å; L1177-I1181 PolarHBondContact O-N 3.24Å |
| 1178 | T | 74.6 | Confident | 71.5 | Confident | 62 Ų | 62 | 100.6 Ų | 100.6 | 38% | 0.38 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -61.5 | -42 | 177.8 | -58.2 | 0 | 0 | 0 | 0 | 111 | I1174 D1175 I1181 N1182 | I1174-T1178 VanDerWaalsContact O-CB 3.32Å; I1174-T1178 WeakPolarHBondContact O-CB 3.47Å; I1174-T1178 PolarHBondContact O-N 3.31Å; I1174-T1178 PolarHBondContact O-OG1 2.72Å; D1175-T1178 PolarHBondContact O-N 3.47Å; T1178-I1181 PolarHBondContact O-N 2.92Å; T1178-N1182 VanDerWaalsContact O-CG 3.28Å; T1178-N1182 PolarHBondContact O-N 3.23Å; T1178-N1182 PolarHBondContact O-ND2 2.86Å |
| 1179 | K | 75.5 | Confident | 71.8 | Confident | 139 Ų | 139 | 101.6 Ų | 101.6 | 60% | 0.604 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -60.8 | -44.9 | 171.6 | -79.1 | 173.3 | 179.6 | 160.9 | 0 | 112.6 | D1175 Q1176 L1177 I1181 N1182 I1183 | D1175-K1179 PolarHBondContact O-N 2.99Å; Q1176-K1179 PolarHBondContact O-N 3.44Å; L1177-K1179 VanDerWaalsContact C-N 3.34Å; L1177-K1179 PolarHBondContact O-N 2.81Å; K1179-I1181 PolarHBondContact O-N 3.01Å; K1179-N1182 PolarHBondContact O-N 3.32Å; K1179-I1183 WeakPolarHBondContact O-CG1 3.44Å; K1179-I1183 PolarHBondContact O-N 3.15Å |
| 1180 | N | 70.1 | Confident | 72.2 | Confident | 88 Ų | 88 | 100 Ų | 100 | 47% | 0.471 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -65.8 | -37 | 178.4 | -73.2 | -19.1 | 0 | 0 | 0 | 112.6 | Q1176 L1177 I1183 K1184 | Q1176-N1180 PolarHBondContact O-N 2.81Å; Q1176-N1180 VanDerWaalsContact O-N 3.11Å; L1177-N1180 PolarHBondContact O-N 3.37Å; L1177-N1180 VanDerWaalsContact O-N 3.14Å; N1180-I1183 PolarHBondContact O-N 3.24Å; N1180-K1184 WeakPolarHBondContact O-CG 3.35Å; N1180-K1184 PolarHBondContact O-N 3.31Å |
| 1181 | I | 74.1 | Confident | 72.6 | Confident | 97 Ų | 97 | 100 Ų | 100 | 50% | 0.497 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -66.3 | -40.6 | 174.2 | -71.3 | 166.5 | 0 | 0 | 0 | 110.7 | L1177 T1178 K1179 K1184 N1185 | L1177-I1181 WeakPolarHBondContact O-CB 3.38Å; L1177-I1181 WeakPolarHBondContact O-CG1 3.43Å; L1177-I1181 PolarHBondContact O-N 3.24Å; T1178-I1181 PolarHBondContact O-N 2.92Å; K1179-I1181 PolarHBondContact O-N 3.01Å; I1181-K1184 CarbonylContact O-C 3.34Å; I1181-K1184 PolarHBondContact O-N 3.29Å; I1181-N1185 VanDerWaalsContact O-CG 3.27Å; I1181-N1185 PolarHBondContact O-N 3.08Å; I1181-N1185 PolarHBondContact O-ND2 2.75Å |
| 1182 | N | 76.3 | Confident | 72.4 | Confident | 84 Ų | 84 | 98.6 Ų | 98.6 | 45% | 0.449 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -63.6 | -43.1 | 175.8 | -71.8 | -19.6 | 0 | 0 | 0 | 112.1 | T1178 K1179 K1184 N1185 E1186 | T1178-N1182 VanDerWaalsContact O-CG 3.28Å; T1178-N1182 PolarHBondContact O-N 3.23Å; T1178-N1182 PolarHBondContact O-ND2 2.86Å; K1179-N1182 PolarHBondContact O-N 3.32Å; N1182-K1184 VanDerWaalsContact C-N 3.3Å; N1182-K1184 PolarHBondContact O-N 2.92Å; N1182-N1185 PolarHBondContact O-N 3.38Å; N1182-N1185 VanDerWaalsContact O-N 3.13Å; N1182-E1186 PolarHBondContact O-N 2.84Å |
| 1183 | I | 76.2 | Confident | 72.7 | Confident | 89 Ų | 89 | 100.7 Ų | 100.7 | 46% | 0.456 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.1 | -39.9 | 172.9 | -64.9 | 163.9 | 0 | 0 | 0 | 110.9 | K1179 N1180 N1185 E1186 E1187 | K1179-I1183 WeakPolarHBondContact O-CG1 3.44Å; K1179-I1183 PolarHBondContact O-N 3.15Å; N1180-I1183 PolarHBondContact O-N 3.24Å; I1183-N1185 VanDerWaalsContact C-N 3.34Å; I1183-N1185 PolarHBondContact O-N 3Å; I1183-E1186 PolarHBondContact O-N 3.49Å; I1183-E1187 PolarHBondContact O-N 2.86Å |
| 1184 | K | 68.9 | Low | 72.9 | Confident | 121 Ų | 121 | 102.7 Ų | 102.7 | 53% | 0.526 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -66.6 | -32.1 | 174.7 | -76.3 | -73.2 | 166.6 | -134.1 | 0 | 113.3 | N1180 I1181 N1182 E1187 F1188 | N1180-K1184 WeakPolarHBondContact O-CG 3.35Å; N1180-K1184 PolarHBondContact O-N 3.31Å; I1181-K1184 CarbonylContact O-C 3.34Å; I1181-K1184 PolarHBondContact O-N 3.29Å; N1182-K1184 VanDerWaalsContact C-N 3.3Å; N1182-K1184 PolarHBondContact O-N 2.92Å; K1184-E1187 WeakPolarHBondContact CD-OE2 3.37Å; K1184-E1187 IonicContact NZ-OE1 2.62Å; K1184-E1187 PolarHBondContact NZ-OE1 3.47Å; K1184-E1187 IonicContact NZ-OE2 2.84Å; K1184-E1187 PolarHBondContact NZ-OE2 2.74Å; K1184-F1188 WeakPolarHBondContact O-CB 3.16Å; K1184-F1188 PolarHBondContact O-N 2.89Å |
| 1185 | N | 69.6 | Low | 72.4 | Confident | 84 Ų | 84 | 102.6 Ų | 102.6 | 45% | 0.449 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -71.2 | -37.9 | 173 | -69.7 | -28 | 0 | 0 | 0 | 111.6 | I1181 N1182 I1183 F1188 D1189 | I1181-N1185 VanDerWaalsContact O-CG 3.27Å; I1181-N1185 PolarHBondContact O-N 3.08Å; I1181-N1185 PolarHBondContact O-ND2 2.75Å; N1182-N1185 PolarHBondContact O-N 3.38Å; N1182-N1185 VanDerWaalsContact O-N 3.13Å; I1183-N1185 VanDerWaalsContact C-N 3.34Å; I1183-N1185 PolarHBondContact O-N 3Å; N1185-F1188 PolarHBondContact O-N 2.77Å; N1185-D1189 PolarHBondContact O-N 3.24Å |
| 1186 | E | 75.7 | Confident | 72.3 | Confident | 140 Ų | 140 | 102 Ų | 102 | 65% | 0.654 | 50% | 0.503 | S | S | * | . | H | α-helix | trans | -63.5 | -41.8 | 172.3 | -71.2 | 176.8 | -175 | 0 | 0 | 112 | N1182 I1183 F1188 S1190 | N1182-E1186 PolarHBondContact O-N 2.84Å; I1183-E1186 PolarHBondContact O-N 3.49Å; E1186-F1188 VanDerWaalsContact C-N 3.34Å; E1186-S1190 WeakPolarHBondContact O-CB 3.35Å; E1186-S1190 PolarHBondContact O-N 2.97Å |
| 1187 | E | 76.4 | Confident | 72.5 | Confident | 90 Ų | 90 | 98.2 Ų | 98.2 | 42% | 0.421 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 169.3 | -73.5 | 179.1 | -163.1 | 0 | 0 | 111.7 | I1183 K1184 S1190 I1191 | I1183-E1187 PolarHBondContact O-N 2.86Å; K1184-E1187 WeakPolarHBondContact CD-OE2 3.37Å; K1184-E1187 IonicContact NZ-OE1 2.62Å; K1184-E1187 PolarHBondContact NZ-OE1 3.47Å; K1184-E1187 IonicContact NZ-OE2 2.84Å; K1184-E1187 PolarHBondContact NZ-OE2 2.74Å; E1187-S1190 WeakPolarHBondContact O-CB 3.27Å; E1187-S1190 PolarHBondContact O-N 3.41Å; E1187-I1191 WeakPolarHBondContact O-CG1 3.07Å; E1187-I1191 PolarHBondContact O-N 3.02Å |
| 1188 | F | 71.9 | Confident | 72.4 | Confident | 136 Ų | 136 | 100 Ų | 100 | 60% | 0.596 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67 | -44.2 | -178.3 | -164.3 | -90.4 | 0 | 0 | 0 | 112.4 | K1184 N1185 E1186 S1190 I1191 K1192 | K1184-F1188 WeakPolarHBondContact O-CB 3.16Å; K1184-F1188 PolarHBondContact O-N 2.89Å; N1185-F1188 PolarHBondContact O-N 2.77Å; E1186-F1188 VanDerWaalsContact C-N 3.34Å; F1188-S1190 VanDerWaalsContact C-N 3.31Å; F1188-S1190 PolarHBondContact O-N 3.18Å; F1188-I1191 PolarHBondContact O-N 3.26Å; F1188-K1192 VanDerWaalsContact O-CB 3.3Å; F1188-K1192 WeakPolarHBondContact O-CB 3.34Å; F1188-K1192 PolarHBondContact O-N 3.29Å |
| 1189 | D | 75.2 | Confident | 71.7 | Confident | 79 Ų | 79 | 102.5 Ų | 102.5 | 42% | 0.422 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -69.5 | -27.7 | 175.7 | -83.5 | -30.6 | 0 | 0 | 0 | 112.1 | N1185 K1192 Q1193 | N1185-D1189 PolarHBondContact O-N 3.24Å; D1189-K1192 WeakPolarHBondContact O-CB 3.4Å; D1189-K1192 PolarHBondContact O-N 3.08Å; D1189-K1192 WeakPolarHBondContact OD1-CD 3.46Å; D1189-K1192 IonicContact OD1-NZ 2.68Å; D1189-K1192 PolarHBondContact OD1-NZ 3.25Å; D1189-Q1193 PolarHBondContact O-N 3.44Å |
| 1190 | S | 73.2 | Confident | 71.7 | Confident | 62 Ų | 62 | 101.7 Ų | 101.7 | 43% | 0.434 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -65.3 | -45.9 | 168.7 | -174.4 | 0 | 0 | 0 | 0 | 111.9 | E1186 E1187 F1188 K1192 Q1193 Q1194 | E1186-S1190 WeakPolarHBondContact O-CB 3.35Å; E1186-S1190 PolarHBondContact O-N 2.97Å; E1187-S1190 WeakPolarHBondContact O-CB 3.27Å; E1187-S1190 PolarHBondContact O-N 3.41Å; F1188-S1190 VanDerWaalsContact C-N 3.31Å; F1188-S1190 PolarHBondContact O-N 3.18Å; S1190-K1192 VanDerWaalsContact C-N 3.29Å; S1190-K1192 PolarHBondContact O-N 2.97Å; S1190-Q1193 PolarHBondContact O-N 2.85Å; S1190-Q1194 PolarHBondContact O-N 3.48Å |
| 1191 | I | 70.4 | Confident | 71.9 | Confident | 102 Ų | 102 | 104.2 Ų | 104.2 | 52% | 0.523 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -62.1 | -38 | 173.2 | -69 | 165.7 | 0 | 0 | 0 | 111 | E1187 F1188 Q1194 M1195 | E1187-I1191 WeakPolarHBondContact O-CG1 3.07Å; E1187-I1191 PolarHBondContact O-N 3.02Å; F1188-I1191 PolarHBondContact O-N 3.26Å; I1191-Q1194 WeakPolarHBondContact O-CB 3.43Å; I1191-Q1194 PolarHBondContact O-N 2.73Å; I1191-Q1194 VanDerWaalsContact O-N 3.16Å; I1191-M1195 PolarHBondContact O-N 3.33Å |
| 1192 | K | 68.6 | Low | 71.7 | Confident | 105 Ų | 105 | 104.8 Ų | 104.8 | 46% | 0.457 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -66.6 | -37.2 | 176.6 | -162.8 | -178.4 | -176.7 | 178.7 | 0 | 112.1 | F1188 D1189 S1190 M1195 N1196 | F1188-K1192 VanDerWaalsContact O-CB 3.3Å; F1188-K1192 WeakPolarHBondContact O-CB 3.34Å; F1188-K1192 PolarHBondContact O-N 3.29Å; D1189-K1192 WeakPolarHBondContact O-CB 3.4Å; D1189-K1192 PolarHBondContact O-N 3.08Å; D1189-K1192 WeakPolarHBondContact OD1-CD 3.46Å; D1189-K1192 IonicContact OD1-NZ 2.68Å; D1189-K1192 PolarHBondContact OD1-NZ 3.25Å; S1190-K1192 VanDerWaalsContact C-N 3.29Å; S1190-K1192 PolarHBondContact O-N 2.97Å; K1192-M1195 PolarHBondContact O-N 3.06Å; K1192-N1196 VanDerWaalsContact O-CG 3.24Å; K1192-N1196 PolarHBondContact O-N 3.47Å |
| 1193 | Q | 73.4 | Confident | 71.4 | Confident | 150 Ų | 150 | 103.9 Ų | 103.9 | 70% | 0.701 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -62.7 | -41.1 | 168.4 | -76.4 | -169.3 | 7 | 0 | 0 | 112 | D1189 S1190 M1195 N1196 G1197 | D1189-Q1193 PolarHBondContact O-N 3.44Å; S1190-Q1193 PolarHBondContact O-N 2.85Å; Q1193-M1195 VanDerWaalsContact C-N 3.35Å; Q1193-M1195 PolarHBondContact O-N 2.89Å; Q1193-N1196 PolarHBondContact O-N 2.88Å; Q1193-G1197 PolarHBondContact O-N 3.32Å |
| 1194 | Q | 74.3 | Confident | 71.3 | Confident | 131 Ų | 131 | 105.2 Ų | 105.2 | 61% | 0.612 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -62.7 | -41 | 174.4 | -66.2 | -177.6 | 6.7 | 0 | 0 | 111.9 | S1190 I1191 G1197 L1198 | S1190-Q1194 PolarHBondContact O-N 3.48Å; I1191-Q1194 WeakPolarHBondContact O-CB 3.43Å; I1191-Q1194 PolarHBondContact O-N 2.73Å; I1191-Q1194 VanDerWaalsContact O-N 3.16Å; Q1194-G1197 PolarHBondContact O-N 2.93Å; Q1194-L1198 WeakPolarHBondContact O-CG 3.33Å; Q1194-L1198 PolarHBondContact O-N 2.96Å |
| 1195 | M | 61.9 | Low | 71.1 | Confident | 94 Ų | 94 | 104.1 Ų | 104.1 | 46% | 0.463 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.7 | -44.2 | 176.7 | -136.8 | -64.4 | -69.3 | 0 | 0 | 111.8 | I1191 K1192 Q1193 G1197 L1198 Q1199 | I1191-M1195 PolarHBondContact O-N 3.33Å; K1192-M1195 PolarHBondContact O-N 3.06Å; Q1193-M1195 VanDerWaalsContact C-N 3.35Å; Q1193-M1195 PolarHBondContact O-N 2.89Å; M1195-G1197 VanDerWaalsContact C-N 3.32Å; M1195-G1197 PolarHBondContact O-N 2.83Å; M1195-L1198 PolarHBondContact O-N 3.43Å; M1195-Q1199 HydrophobicContact CE-CG 4.03Å; M1195-Q1199 PolarHBondContact O-N 2.88Å; M1195-Q1199 HydrophobicContact SD-CG 4.21Å |
| 1196 | N | 71.1 | Confident | 70.7 | Confident | 88 Ų | 88 | 105.9 Ų | 105.9 | 47% | 0.471 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -61.2 | -39.4 | 173.1 | -69.1 | -13 | 0 | 0 | 0 | 111.9 | K1192 Q1193 Q1199 L1200 | K1192-N1196 VanDerWaalsContact O-CG 3.24Å; K1192-N1196 PolarHBondContact O-N 3.47Å; Q1193-N1196 PolarHBondContact O-N 2.88Å; N1196-Q1199 PolarHBondContact O-N 3.25Å; N1196-L1200 PolarHBondContact O-N 3.33Å |
| 1197 | G | 76.8 | Confident | 70.2 | Confident | 41 Ų | 41 | 103.7 Ų | 103.7 | 42% | 0.423 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.4 | -37.4 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | Q1193 Q1194 M1195 K1201 | Q1193-G1197 PolarHBondContact O-N 3.32Å; Q1194-G1197 PolarHBondContact O-N 2.93Å; M1195-G1197 VanDerWaalsContact C-N 3.32Å; M1195-G1197 PolarHBondContact O-N 2.83Å; G1197-K1201 WeakPolarHBondContact O-CB 3.41Å; G1197-K1201 PolarHBondContact O-N 2.97Å; G1197-K1201 VanDerWaalsContact O-N 3.15Å |
| 1198 | L | 65.5 | Low | 70 | Confident | 117 Ų | 117 | 105.1 Ų | 105.1 | 61% | 0.613 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -68.6 | -40.5 | 172.9 | -70.3 | 172.1 | 0 | 0 | 0 | 112 | Q1194 M1195 K1201 N1202 | Q1194-L1198 WeakPolarHBondContact O-CG 3.33Å; Q1194-L1198 PolarHBondContact O-N 2.96Å; M1195-L1198 PolarHBondContact O-N 3.43Å; L1198-K1201 PolarHBondContact O-N 3.04Å; L1198-N1202 WeakPolarHBondContact O-CB 3.35Å; L1198-N1202 PolarHBondContact O-N 2.81Å |
| 1199 | Q | 60.9 | Low | 69.4 | Low | 115 Ų | 115 | 104.5 Ų | 104.5 | 54% | 0.537 | 54% | 0.54 | S | S | . | . | H | α-helix | trans | -61.9 | -43.3 | 173.5 | -75.6 | -171.5 | -32.5 | 0 | 0 | 112.4 | M1195 N1196 K1201 N1202 S1203 | M1195-Q1199 HydrophobicContact CE-CG 4.03Å; M1195-Q1199 PolarHBondContact O-N 2.88Å; M1195-Q1199 HydrophobicContact SD-CG 4.21Å; N1196-Q1199 PolarHBondContact O-N 3.25Å; Q1199-K1201 VanDerWaalsContact C-N 3.33Å; Q1199-K1201 PolarHBondContact O-N 2.9Å; Q1199-N1202 WeakPolarHBondContact O-CB 3.39Å; Q1199-N1202 PolarHBondContact O-N 3.36Å; Q1199-N1202 VanDerWaalsContact O-N 3.15Å; Q1199-S1203 PolarHBondContact O-N 3.16Å |
| 1200 | L | 74.9 | Confident | 68.9 | Low | 123 Ų | 123 | 106.6 Ų | 106.6 | 64% | 0.644 | 55% | 0.546 | S | S | * | . | H | α-helix | trans | -58.4 | -47.2 | 176.8 | -153.5 | 89.1 | 0 | 0 | 0 | 110.8 | N1196 N1202 S1203 E1204 | N1196-L1200 PolarHBondContact O-N 3.33Å; L1200-N1202 VanDerWaalsContact C-N 3.27Å; L1200-N1202 PolarHBondContact O-N 2.78Å; L1200-S1203 PolarHBondContact O-N 3.19Å; L1200-S1203 PolarHBondContact O-OG 2.91Å; L1200-E1204 PolarHBondContact O-N 3.39Å; L1200-E1204 VanDerWaalsContact O-N 3.09Å |
| 1201 | K | 74.1 | Confident | 68.6 | Low | 140 Ų | 140 | 108.2 Ų | 108.2 | 61% | 0.609 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -63.8 | -30.2 | 177.9 | -160.2 | 167.8 | -169.5 | 170.8 | 0 | 113.2 | G1197 L1198 Q1199 L1205 | G1197-K1201 WeakPolarHBondContact O-CB 3.41Å; G1197-K1201 PolarHBondContact O-N 2.97Å; G1197-K1201 VanDerWaalsContact O-N 3.15Å; L1198-K1201 PolarHBondContact O-N 3.04Å; Q1199-K1201 VanDerWaalsContact C-N 3.33Å; Q1199-K1201 PolarHBondContact O-N 2.9Å; K1201-L1205 PolarHBondContact O-N 3.19Å |
| 1202 | N | 70.4 | Confident | 68 | Low | 110 Ų | 110 | 110.4 Ų | 110.4 | 59% | 0.588 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -73 | -37.8 | 175.6 | -150.6 | 15.6 | 0 | 0 | 0 | 111.8 | L1198 Q1199 L1200 E1204 L1205 L1206 | L1198-N1202 WeakPolarHBondContact O-CB 3.35Å; L1198-N1202 PolarHBondContact O-N 2.81Å; Q1199-N1202 WeakPolarHBondContact O-CB 3.39Å; Q1199-N1202 PolarHBondContact O-N 3.36Å; Q1199-N1202 VanDerWaalsContact O-N 3.15Å; L1200-N1202 VanDerWaalsContact C-N 3.27Å; L1200-N1202 PolarHBondContact O-N 2.78Å; N1202-E1204 VanDerWaalsContact C-N 3.33Å; N1202-E1204 PolarHBondContact O-N 2.73Å; N1202-L1205 PolarHBondContact O-N 2.91Å; N1202-L1206 PolarHBondContact O-N 3.45Å; N1202-L1206 VanDerWaalsContact O-N 3.1Å |
| 1203 | S | 69.2 | Low | 67.1 | Low | 64 Ų | 64 | 110 Ų | 110 | 45% | 0.448 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -67.6 | -32.2 | 173.5 | 73 | 0 | 0 | 0 | 0 | 113 | Q1199 L1200 L1206 N1207 | Q1199-S1203 PolarHBondContact O-N 3.16Å; L1200-S1203 PolarHBondContact O-N 3.19Å; L1200-S1203 PolarHBondContact O-OG 2.91Å; S1203-L1206 PolarHBondContact O-N 2.82Å; S1203-N1207 PolarHBondContact O-N 2.92Å |
| 1204 | E | 75.6 | Confident | 66.1 | Low | 118 Ų | 118 | 108.2 Ų | 108.2 | 55% | 0.551 | 55% | 0.549 | S | S | * | . | H | α-helix | trans | -67.3 | -41.9 | 176.3 | -141.6 | 168.5 | -149.8 | 0 | 0 | 111.7 | L1200 N1202 L1206 N1207 Q1208 | L1200-E1204 PolarHBondContact O-N 3.39Å; L1200-E1204 VanDerWaalsContact O-N 3.09Å; N1202-E1204 VanDerWaalsContact C-N 3.33Å; N1202-E1204 PolarHBondContact O-N 2.73Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; E1204-N1207 PolarHBondContact O-N 3.43Å; E1204-Q1208 WeakPolarHBondContact O-CG 3.24Å; E1204-Q1208 PolarHBondContact O-N 3.29Å; E1204-Q1208 VanDerWaalsContact O-N 3.15Å |
| 1205 | L | 65 | Low | 65.2 | Low | 98 Ų | 98 | 107.4 Ų | 107.4 | 51% | 0.513 | 55% | 0.545 | S | S | . | . | H | α-helix | trans | -61.2 | -39.5 | 170.1 | -97 | 159.7 | 0 | 0 | 0 | 112.7 | K1201 N1202 Q1208 L1209 | K1201-L1205 PolarHBondContact O-N 3.19Å; N1202-L1205 PolarHBondContact O-N 2.91Å; L1205-Q1208 PolarHBondContact O-N 3.26Å; L1205-L1209 PolarHBondContact O-N 2.79Å; L1205-L1209 VanDerWaalsContact O-N 3.11Å |
| 1206 | L | 61.1 | Low | 64.2 | Low | 120 Ų | 120 | 107.8 Ų | 107.8 | 63% | 0.628 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -67.1 | -36.1 | 179 | -153 | 120.7 | 0 | 0 | 0 | 112.1 | N1202 S1203 E1204 L1209 K1210 | N1202-L1206 PolarHBondContact O-N 3.45Å; N1202-L1206 VanDerWaalsContact O-N 3.1Å; S1203-L1206 PolarHBondContact O-N 2.82Å; E1204-L1206 VanDerWaalsContact C-N 3.34Å; L1206-L1209 PolarHBondContact O-N 2.99Å; L1206-K1210 PolarHBondContact O-N 3.04Å |
| 1207 | N | 65.3 | Low | 63 | Low | 94 Ų | 94 | 107 Ų | 107 | 50% | 0.503 | 54% | 0.542 | S | S | . | . | H | α-helix | trans | -66.7 | -37.9 | 171.8 | -79.9 | -29.4 | 0 | 0 | 0 | 112.7 | S1203 E1204 L1209 K1210 I1211 | S1203-N1207 PolarHBondContact O-N 2.92Å; E1204-N1207 PolarHBondContact O-N 3.43Å; N1207-L1209 VanDerWaalsContact C-N 3.33Å; N1207-L1209 PolarHBondContact O-N 3.16Å; N1207-K1210 WeakPolarHBondContact O-CB 3.4Å; N1207-K1210 PolarHBondContact O-N 3.42Å; N1207-K1210 VanDerWaalsContact O-N 3.16Å; N1207-I1211 WeakPolarHBondContact O-CG1 3.46Å; N1207-I1211 PolarHBondContact O-N 3.38Å |
| 1208 | Q | 70.8 | Confident | 61.7 | Low | 120 Ų | 120 | 111.7 Ų | 111.7 | 56% | 0.561 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -64.2 | -37.4 | 175.3 | -69.3 | 176.3 | 29.8 | 0 | 0 | 112.4 | E1204 L1205 K1212 | E1204-Q1208 WeakPolarHBondContact O-CG 3.24Å; E1204-Q1208 PolarHBondContact O-N 3.29Å; E1204-Q1208 VanDerWaalsContact O-N 3.15Å; L1205-Q1208 PolarHBondContact O-N 3.26Å; Q1208-K1212 PolarHBondContact O-N 3.34Å |
| 1209 | L | 59.2 | Low | 60.4 | Low | 123 Ų | 123 | 115.2 Ų | 115.2 | 64% | 0.644 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -65.5 | -38.1 | 171.4 | -74.8 | 170.8 | 0 | 0 | 0 | 112.2 | L1205 L1206 N1207 K1212 N1213 | L1205-L1209 PolarHBondContact O-N 2.79Å; L1205-L1209 VanDerWaalsContact O-N 3.11Å; L1206-L1209 PolarHBondContact O-N 2.99Å; N1207-L1209 VanDerWaalsContact C-N 3.33Å; N1207-L1209 PolarHBondContact O-N 3.16Å; L1209-K1212 PolarHBondContact O-N 2.84Å; L1209-N1213 PolarHBondContact O-N 3Å; L1209-N1213 VanDerWaalsContact O-N 3.11Å |
| 1210 | K | 65.3 | Low | 59.5 | Low | 124 Ų | 124 | 115.4 Ų | 115.4 | 54% | 0.539 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -64.2 | -45.8 | 179 | -166 | -179.7 | 177.6 | -171.5 | 0 | 112.3 | L1206 N1207 K1212 N1213 E1214 | L1206-K1210 PolarHBondContact O-N 3.04Å; N1207-K1210 WeakPolarHBondContact O-CB 3.4Å; N1207-K1210 PolarHBondContact O-N 3.42Å; N1207-K1210 VanDerWaalsContact O-N 3.16Å; K1210-K1212 VanDerWaalsContact C-N 3.34Å; K1210-K1212 PolarHBondContact O-N 3.46Å; K1210-N1213 WeakPolarHBondContact O-CB 3.35Å; K1210-N1213 PolarHBondContact O-N 2.66Å; K1210-E1214 WeakPolarHBondContact CE-OE1 3.02Å; K1210-E1214 PolarHBondContact O-N 3.12Å |
| 1211 | I | 66.8 | Low | 58.2 | Low | 96 Ų | 96 | 116.4 Ų | 116.4 | 49% | 0.492 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -57.6 | -46.2 | 176.2 | -67 | 166 | 0 | 0 | 0 | 110.6 | N1207 N1213 E1214 E1215 | N1207-I1211 WeakPolarHBondContact O-CG1 3.46Å; N1207-I1211 PolarHBondContact O-N 3.38Å; I1211-N1213 PolarHBondContact O-N 3.41Å; I1211-E1214 PolarHBondContact O-N 2.98Å; I1211-E1214 VanDerWaalsContact O-N 3.13Å; I1211-E1215 PolarHBondContact O-N 2.83Å |
| 1212 | K | 58.1 | Low | 56.8 | Low | 148 Ų | 148 | 116.5 Ų | 116.5 | 64% | 0.643 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -64.7 | -24.6 | 176.4 | -76.7 | -156.2 | 167.4 | -165.7 | 0 | 114.7 | Q1208 L1209 K1210 L1216 | Q1208-K1212 PolarHBondContact O-N 3.34Å; L1209-K1212 PolarHBondContact O-N 2.84Å; K1210-K1212 VanDerWaalsContact C-N 3.34Å; K1210-K1212 PolarHBondContact O-N 3.46Å; K1212-L1216 PolarHBondContact O-N 2.81Å |
| 1213 | N | 49.3 | Very low | 55.1 | Low | 97 Ų | 97 | 120 Ų | 120 | 52% | 0.519 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -80.1 | -29.8 | 175.1 | -160.3 | 59.3 | 0 | 0 | 0 | 111.8 | L1209 K1210 I1211 L1216 E1217 | L1209-N1213 PolarHBondContact O-N 3Å; L1209-N1213 VanDerWaalsContact O-N 3.11Å; K1210-N1213 WeakPolarHBondContact O-CB 3.35Å; K1210-N1213 PolarHBondContact O-N 2.66Å; I1211-N1213 PolarHBondContact O-N 3.41Å; N1213-L1216 PolarHBondContact O-N 2.8Å; N1213-E1217 PolarHBondContact O-N 2.81Å |
| 1214 | E | 53.5 | Low | 53.3 | Low | 112 Ų | 112 | 120.8 Ų | 120.8 | 52% | 0.523 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -70.3 | -41.2 | 172.4 | -70.2 | 168.2 | -170.3 | 0 | 0 | 110.9 | K1210 I1211 L1216 E1217 E1218 | K1210-E1214 WeakPolarHBondContact CE-OE1 3.02Å; K1210-E1214 PolarHBondContact O-N 3.12Å; I1211-E1214 PolarHBondContact O-N 2.98Å; I1211-E1214 VanDerWaalsContact O-N 3.13Å; E1214-L1216 VanDerWaalsContact C-N 3.25Å; E1214-L1216 PolarHBondContact O-N 3.28Å; E1214-E1217 PolarHBondContact O-N 3.44Å; E1214-E1218 PolarHBondContact O-N 2.79Å |
| 1215 | E | 53.5 | Low | 51.1 | Low | 114 Ų | 114 | 121.9 Ų | 121.9 | 53% | 0.533 | 60% | 0.596 | S | S | . | * | H | α-helix | trans | -56.5 | -35.5 | 169.8 | -69.6 | 176.7 | 162 | 0 | 0 | 112.9 | I1211 | I1211-E1215 PolarHBondContact O-N 2.83Å |
| 1216 | L | 42 | Very low | 49.2 | Very low | 101 Ų | 101 | 124.9 Ų | 124.9 | 53% | 0.529 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -78 | -30.3 | -177.9 | -172.4 | 62.4 | 0 | 0 | 0 | 113.4 | K1212 N1213 E1214 | K1212-L1216 PolarHBondContact O-N 2.81Å; N1213-L1216 PolarHBondContact O-N 2.8Å; E1214-L1216 VanDerWaalsContact C-N 3.25Å; E1214-L1216 PolarHBondContact O-N 3.28Å |
| 1217 | E | 46.4 | Very low | 47.5 | Very low | 73 Ų | 73 | 125.4 Ų | 125.4 | 34% | 0.341 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -80.6 | -28.1 | 176 | -79.8 | -61.7 | 137.3 | 0 | 0 | 113.1 | N1213 E1214 Y1219 K1220 K1221 | N1213-E1217 PolarHBondContact O-N 2.81Å; E1214-E1217 PolarHBondContact O-N 3.44Å; E1217-Y1219 VanDerWaalsContact C-N 3.3Å; E1217-Y1219 PolarHBondContact O-N 3.4Å; E1217-K1220 PolarHBondContact O-N 3.1Å; E1217-K1220 WeakPolarHBondContact OE1-CD 3.01Å; E1217-K1220 WeakPolarHBondContact OE1-CE 3.39Å; E1217-K1220 IonicContact OE1-NZ 3.56Å; E1217-K1220 PolarHBondContact OE1-NZ 2.84Å; E1217-K1221 PolarHBondContact O-N 3.41Å |
| 1218 | E | 48.2 | Very low | 45.6 | Very low | 138 Ų | 138 | 127.1 Ų | 127.1 | 65% | 0.645 | 64% | 0.639 | S | S | * | * | H | α-helix | trans | -63.7 | -37.7 | 173.7 | -167.4 | 162.2 | -127.2 | 0 | 0 | 111.5 | E1214 K1220 K1221 I1222 | E1214-E1218 PolarHBondContact O-N 2.79Å; E1218-K1220 VanDerWaalsContact C-N 3.28Å; E1218-K1220 PolarHBondContact O-N 3.45Å; E1218-K1221 PolarHBondContact O-N 2.97Å; E1218-I1222 PolarHBondContact O-N 2.93Å |
| 1219 | Y | 38.8 | Very low | 43.4 | Very low | 191 Ų | 191 | 126.8 Ų | 126.8 | 75% | 0.749 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -60.1 | -31.3 | 172.7 | -101.5 | -86.1 | 0 | 0 | 0 | 114.1 | E1217 | E1217-Y1219 VanDerWaalsContact C-N 3.3Å; E1217-Y1219 PolarHBondContact O-N 3.4Å |
| 1220 | K | 41.6 | Very low | 41.9 | Very low | 120 Ų | 120 | 127.3 Ų | 127.3 | 52% | 0.522 | 65% | 0.649 | S | S | . | * | H | α-helix | trans | -75.8 | -38.8 | 176.2 | -66 | -178.5 | -168.7 | 164.7 | 0 | 112.2 | E1217 E1218 I1222 Q1223 | E1217-K1220 PolarHBondContact O-N 3.1Å; E1217-K1220 WeakPolarHBondContact OE1-CD 3.01Å; E1217-K1220 WeakPolarHBondContact OE1-CE 3.39Å; E1217-K1220 IonicContact OE1-NZ 3.56Å; E1217-K1220 PolarHBondContact OE1-NZ 2.84Å; E1218-K1220 VanDerWaalsContact C-N 3.28Å; E1218-K1220 PolarHBondContact O-N 3.45Å; K1220-I1222 VanDerWaalsContact C-N 3.26Å; K1220-I1222 PolarHBondContact O-N 3.2Å; K1220-Q1223 PolarHBondContact O-N 3.16Å; K1220-Q1223 VanDerWaalsContact O-N 3.15Å |
| 1221 | K | 49 | Very low | 40.3 | Very low | 143 Ų | 143 | 128.7 Ų | 128.7 | 62% | 0.622 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -66.8 | -24.5 | -176.2 | -74.2 | 174.8 | -178.9 | 169.4 | 0 | 113.8 | E1217 E1218 Q1223 | E1217-K1221 PolarHBondContact O-N 3.41Å; E1218-K1221 PolarHBondContact O-N 2.97Å; K1221-Q1223 VanDerWaalsContact C-N 3.32Å |
| 1222 | I | 43 | Very low | 38.5 | Very low | 142 Ų | 142 | 130.3 Ų | 130.3 | 73% | 0.728 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.2 | -21.8 | 176.3 | -66.9 | 172.7 | 0 | 0 | 0 | 112.2 | E1218 K1220 | E1218-I1222 PolarHBondContact O-N 2.93Å; K1220-I1222 VanDerWaalsContact C-N 3.26Å; K1220-I1222 PolarHBondContact O-N 3.2Å |
| 1223 | Q | 34.6 | Very low | 37.7 | Very low | 183 Ų | 183 | 129.4 Ų | 129.4 | 86% | 0.855 | 68% | 0.684 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94.2 | 0.4 | -173.1 | -149.7 | 169.5 | 49.4 | 0 | 0 | 115.1 | K1220 K1221 | K1220-Q1223 PolarHBondContact O-N 3.16Å; K1220-Q1223 VanDerWaalsContact O-N 3.15Å; K1221-Q1223 VanDerWaalsContact C-N 3.32Å |
| 1224 | A | 31.3 | Very low | 37.3 | Very low | 81 Ų | 81 | 130.6 Ų | 130.6 | 67% | 0.669 | 69% | 0.69 | S | S | * | * | S | Bend | trans | -117.1 | -5.7 | -171.1 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||
| 1225 | N | 30.2 | Very low | 36.8 | Very low | 141 Ų | 141 | 131.4 Ų | 131.4 | 75% | 0.754 | 70% | 0.696 | S | S | * | * | trans | -105.1 | 73.5 | -174.8 | -78.5 | -32 | 0 | 0 | 0 | 112.8 | ||||
| 1226 | N | 26 | Very low | 36.3 | Very low | 162 Ų | 162 | 129.7 Ų | 129.7 | 87% | 0.866 | 70% | 0.702 | S | S | * | * | trans | -157.4 | 62.4 | 172.7 | -120 | -18.3 | 0 | 0 | 0 | 114.1 | ||||
| 1227 | C | 24.1 | Very low | 36.3 | Very low | 130 Ų | 130 | 131.1 Ų | 131.1 | 88% | 0.878 | 71% | 0.709 | S | S | * | * | trans | -156 | 103.7 | 166.4 | -112.4 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 1228 | T | 25.5 | Very low | 36.1 | Very low | 130 Ų | 130 | 135.4 Ų | 135.4 | 80% | 0.798 | 73% | 0.726 | S | S | * | * | trans | -149.9 | 157.5 | 173 | -37.2 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1229 | T | 25.3 | Very low | 35.9 | Very low | 114 Ų | 114 | 135.6 Ų | 135.6 | 70% | 0.699 | 73% | 0.727 | S | S | * | * | trans | 85.2 | 79.6 | 171.1 | 67.2 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 1230 | N | 28 | Very low | 36.2 | Very low | 134 Ų | 134 | 133.9 Ų | 133.9 | 72% | 0.717 | 73% | 0.731 | S | S | * | * | 54.7 | 118.9 | 118.9 | -46.8 | -9.1 | 0 | 0 | 0 | 120.3 | |||||
| 1231 | N | 31.1 | Very low | 36.4 | Very low | 152 Ų | 152 | 133 Ų | 133 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | 165.1 | 81 | 115 | -81.8 | -20.8 | 0 | 0 | 0 | 113.6 | |||||
| 1232 | T | 28 | Very low | 36.1 | Very low | 131 Ų | 131 | 130.2 Ų | 130.2 | 80% | 0.804 | 74% | 0.738 | S | S | * | * | trans | -158.1 | 36.3 | 164 | 2.2 | 0 | 0 | 0 | 0 | 114.7 | ||||
| 1233 | T | 42.5 | Very low | 36.4 | Very low | 129 Ų | 129 | 126.9 Ų | 126.9 | 79% | 0.791 | 72% | 0.721 | S | S | * | * | trans | -93 | 99.9 | 174.4 | 48.8 | 0 | 0 | 0 | 0 | 111 | ||||
| 1234 | D | 39.8 | Very low | 36.6 | Very low | 121 Ų | 121 | 125.3 Ų | 125.3 | 65% | 0.647 | 72% | 0.718 | S | S | * | * | S | Bend | trans | 171.5 | -15 | 147.7 | -95 | -10.1 | 0 | 0 | 0 | 113.6 | A1236 I1237 | D1234-A1236 PolarHBondContact O-N 3.08Å; D1234-A1236 VanDerWaalsContact O-N 3.16Å; D1234-I1237 PolarHBondContact O-N 3.46Å; D1234-I1237 VanDerWaalsContact O-N 3.14Å; D1234-I1237 WeakPolarHBondContact OD1-CD1 3.46Å |
| 1235 | I | 43.2 | Very low | 37.6 | Very low | 129 Ų | 129 | 127.2 Ų | 127.2 | 66% | 0.662 | 72% | 0.715 | S | S | * | * | G | 310 helix | trans | -61.6 | -25.8 | 177 | -67 | 176.9 | 0 | 0 | 0 | 112.1 | I1237 | I1235-I1237 PolarHBondContact O-N 2.85Š|
| 1236 | A | 42.9 | Very low | 38.6 | Very low | 78 Ų | 78 | 128.8 Ų | 128.8 | 65% | 0.645 | 72% | 0.718 | S | S | * | * | G | 310 helix | trans | -63.9 | -7.4 | 175.7 | 0 | 0 | 0 | 0 | 0 | 115.3 | D1234 | D1234-A1236 PolarHBondContact O-N 3.08Å; D1234-A1236 VanDerWaalsContact O-N 3.16Å |
| 1237 | I | 42.7 | Very low | 39.6 | Very low | 132 Ų | 132 | 124.9 Ų | 124.9 | 68% | 0.677 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -98.9 | 15.2 | -169.7 | -50.3 | -175.6 | 0 | 0 | 0 | 112.7 | D1234 I1235 | D1234-I1237 PolarHBondContact O-N 3.46Å; D1234-I1237 VanDerWaalsContact O-N 3.14Å; D1234-I1237 WeakPolarHBondContact OD1-CD1 3.46Å; I1235-I1237 PolarHBondContact O-N 2.85Å |
| 1238 | K | 42.8 | Very low | 40.7 | Very low | 162 Ų | 162 | 127.2 Ų | 127.2 | 70% | 0.704 | 69% | 0.692 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -129.5 | -34 | 166 | -98 | -169.3 | 173.2 | -173.5 | 0 | 116.6 | N1240 S1242 | K1238-N1240 VanDerWaalsContact C-N 3.28Å; K1238-N1240 PolarHBondContact O-N 3.21Å; K1238-S1242 PolarHBondContact O-N 3.24Å; K1238-S1242 VanDerWaalsContact O-N 3.09Å |
| 1239 | E | 44.3 | Very low | 42 | Very low | 143 Ų | 143 | 125.6 Ų | 125.6 | 67% | 0.668 | 68% | 0.678 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.2 | -21.3 | -168.4 | -62.6 | -172.9 | 125.6 | 0 | 0 | 114.5 | ||
| 1240 | N | 43.8 | Very low | 44.1 | Very low | 155 Ų | 155 | 127.4 Ų | 127.4 | 83% | 0.829 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -95.5 | 4.7 | -175.4 | -83.1 | -22.7 | 0 | 0 | 0 | 116.4 | K1238 | K1238-N1240 VanDerWaalsContact C-N 3.28Å; K1238-N1240 PolarHBondContact O-N 3.21Å |
| 1241 | S | 46.2 | Very low | 46.1 | Very low | 102 Ų | 102 | 125.3 Ų | 125.3 | 71% | 0.713 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -155.7 | -2.3 | 167.8 | 56.5 | 0 | 0 | 0 | 0 | 115.7 | I1243 | S1241-I1243 WeakPolarHBondContact O-CB 3.49Å; S1241-I1243 WeakPolarHBondContact O-CD1 3.49Å |
| 1242 | S | 42.8 | Very low | 47.8 | Very low | 84 Ų | 84 | 121.8 Ų | 121.8 | 59% | 0.587 | 64% | 0.644 | S | S | * | * | S | Bend | trans | -108.3 | 79.3 | 145.1 | -155 | 0 | 0 | 0 | 0 | 106.6 | K1238 | K1238-S1242 PolarHBondContact O-N 3.24Å; K1238-S1242 VanDerWaalsContact O-N 3.09Å |
| 1243 | I | 48.8 | Very low | 49.7 | Very low | 72 Ų | 72 | 121 Ų | 121 | 37% | 0.369 | 63% | 0.632 | S | S | . | * | 42.2 | 96.2 | 64.1 | -63.7 | 178.5 | 0 | 0 | 0 | 106.2 | S1241 I1245 | S1241-I1243 WeakPolarHBondContact O-CB 3.49Å; S1241-I1243 WeakPolarHBondContact O-CD1 3.49Å; I1243-I1245 HydrophobicContact CG2-CB 3.47Å; I1243-I1245 VanDerWaalsContact CG2-CB 3.47Å; I1243-I1245 HydrophobicContact CG2-CD1 4.09Å; I1243-I1245 HydrophobicContact CG2-CG1 3.76Å | |||
| 1244 | L | 40.2 | Very low | 51 | Low | 149 Ų | 149 | 119 Ų | 119 | 78% | 0.78 | 62% | 0.615 | S | S | * | * | S | Bend | cis | 67.7 | -8.3 | 36.4 | 130.2 | 93.3 | 0 | 0 | 0 | 112.6 | Q1246 I1247 | L1244-Q1246 CarbonylContact C-O 3.5Å; L1244-Q1246 WeakPolarHBondContact CA-O 3.4Å; L1244-I1247 PolarHBondContact O-N 2.96Å |
| 1245 | I | 50.6 | Low | 52.5 | Low | 121 Ų | 121 | 119.1 Ų | 119.1 | 62% | 0.621 | 61% | 0.612 | S | S | * | * | trans | -123.6 | 125.6 | 151.3 | -61 | 170.6 | 0 | 0 | 0 | 105.6 | I1243 I1247 | I1243-I1245 HydrophobicContact CG2-CB 3.47Å; I1243-I1245 VanDerWaalsContact CG2-CB 3.47Å; I1243-I1245 HydrophobicContact CG2-CD1 4.09Å; I1243-I1245 HydrophobicContact CG2-CG1 3.76Å; I1245-I1247 HydrophobicContact CB-CG1 4.14Å; I1245-I1247 HydrophobicContact CG2-CD1 3.55Å; I1245-I1247 HydrophobicContact CG2-CG1 3.5Å | ||
| 1246 | Q | 51.3 | Low | 53.8 | Low | 174 Ų | 174 | 121.8 Ų | 121.8 | 81% | 0.813 | 61% | 0.614 | S | S | * | * | S | Bend | 48.7 | 59.2 | -89.2 | -55.5 | -175.1 | 22.8 | 0 | 0 | 111.3 | L1244 | L1244-Q1246 CarbonylContact C-O 3.5Å; L1244-Q1246 WeakPolarHBondContact CA-O 3.4Å | |
| 1247 | I | 47.3 | Very low | 55.5 | Low | 80 Ų | 80 | 125 Ų | 125 | 41% | 0.41 | 62% | 0.616 | S | S | . | * | 59.3 | 99.8 | 55.7 | -51.2 | 156.1 | 0 | 0 | 0 | 107 | L1244 I1245 D1249 | L1244-I1247 PolarHBondContact O-N 2.96Å; I1245-I1247 HydrophobicContact CB-CG1 4.14Å; I1245-I1247 HydrophobicContact CG2-CD1 3.55Å; I1245-I1247 HydrophobicContact CG2-CG1 3.5Å; I1247-D1249 HydrophobicContact CG2-CB 4Å; I1247-D1249 VanDerWaalsContact CG2-OD1 3.25Å; I1247-D1249 WeakPolarHBondContact CG2-OD1 3.44Å; I1247-D1249 VanDerWaalsContact CG2-OD2 3.23Å; I1247-D1249 WeakPolarHBondContact CG2-OD2 3.44Å; I1247-D1249 PolarHBondContact O-N 3.24Å | |||
| 1248 | K | 48 | Very low | 57.1 | Low | 179 Ų | 179 | 124.4 Ų | 124.4 | 78% | 0.778 | 61% | 0.614 | S | S | * | * | S | Bend | 64.7 | -2.6 | 57.7 | -150.5 | 177.6 | -176.3 | 178.8 | 0 | 112.9 | |||
| 1249 | D | 51.7 | Low | 58.5 | Low | 96 Ų | 96 | 120 Ų | 120 | 51% | 0.513 | 61% | 0.607 | S | S | . | * | trans | -89.4 | -39.1 | 176.8 | -78.4 | -35.3 | 0 | 0 | 0 | 110.1 | I1247 V1251 I1252 | I1247-D1249 HydrophobicContact CG2-CB 4Å; I1247-D1249 VanDerWaalsContact CG2-OD1 3.25Å; I1247-D1249 WeakPolarHBondContact CG2-OD1 3.44Å; I1247-D1249 VanDerWaalsContact CG2-OD2 3.23Å; I1247-D1249 WeakPolarHBondContact CG2-OD2 3.44Å; I1247-D1249 PolarHBondContact O-N 3.24Å; D1249-V1251 PolarHBondContact O-N 2.99Å; D1249-I1252 WeakPolarHBondContact O-CB 3.29Å; D1249-I1252 PolarHBondContact O-N 3.36Å | ||
| 1250 | R | 69 | Low | 59.7 | Low | 152 Ų | 152 | 123.8 Ų | 123.8 | 57% | 0.574 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -58.9 | -15.1 | 174.5 | -172.2 | 55.9 | 177.5 | 166.2 | 6.9 | 113.3 | E1253 | R1250-E1253 WeakPolarHBondContact CD-OE2 3.34Å; R1250-E1253 IonicContact CZ-OE2 3.31Å; R1250-E1253 IonicContact NE-OE2 3.78Å; R1250-E1253 VanDerWaalsContact NH1-CD 3.28Å; R1250-E1253 IonicContact NH1-OE1 3.62Å; R1250-E1253 IonicContact NH1-OE2 2.67Å; R1250-E1253 PolarHBondContact NH1-OE2 3.4Å |
| 1251 | V | 70.2 | Confident | 61.4 | Low | 91 Ų | 91 | 123.1 Ų | 123.1 | 55% | 0.552 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -68.7 | -42 | 170.7 | -179 | 0 | 0 | 0 | 0 | 111.1 | D1249 E1253 | D1249-V1251 PolarHBondContact O-N 2.99Å; V1251-E1253 PolarHBondContact O-N 3.45Å |
| 1252 | I | 67 | Low | 62.5 | Low | 77 Ų | 77 | 122.7 Ų | 122.7 | 40% | 0.395 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -69.7 | -24.6 | -178.2 | -53.7 | 171.8 | 0 | 0 | 0 | 111.6 | D1249 | D1249-I1252 WeakPolarHBondContact O-CB 3.29Å; D1249-I1252 PolarHBondContact O-N 3.36Å |
| 1253 | E | 68.4 | Low | 64.1 | Low | 115 Ų | 115 | 126.5 Ų | 126.5 | 54% | 0.537 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -77.4 | -41.3 | -167.8 | -148.1 | 170.4 | -167.5 | 0 | 0 | 112.8 | R1250 V1251 E1255 | R1250-E1253 WeakPolarHBondContact CD-OE2 3.34Å; R1250-E1253 IonicContact CZ-OE2 3.31Å; R1250-E1253 IonicContact NE-OE2 3.78Å; R1250-E1253 VanDerWaalsContact NH1-CD 3.28Å; R1250-E1253 IonicContact NH1-OE1 3.62Å; R1250-E1253 IonicContact NH1-OE2 2.67Å; R1250-E1253 PolarHBondContact NH1-OE2 3.4Å; V1251-E1253 PolarHBondContact O-N 3.45Å; E1253-E1255 VanDerWaalsContact C-N 3.35Å |
| 1254 | L | 70.4 | Confident | 65.4 | Low | 86 Ų | 86 | 126.8 Ų | 126.8 | 45% | 0.45 | 62% | 0.623 | S | S | . | * | H | α-helix | trans | -78.8 | -18 | -179.7 | -61.7 | 177.1 | 0 | 0 | 0 | 113 | R1256 N1258 | L1254-R1256 PolarHBondContact O-N 3.25Å; L1254-N1258 PolarHBondContact O-ND2 3.45Å |
| 1255 | E | 70 | Confident | 66.8 | Low | 124 Ų | 124 | 124.7 Ų | 124.7 | 58% | 0.579 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -62.7 | -25.4 | 173.9 | -68.5 | 178.3 | 152.3 | 0 | 0 | 113 | E1253 | E1253-E1255 VanDerWaalsContact C-N 3.35Å |
| 1256 | R | 72.3 | Confident | 68 | Low | 186 Ų | 186 | 124.4 Ų | 124.4 | 70% | 0.702 | 61% | 0.608 | S | S | * | * | H | α-helix | trans | -93.8 | -28.2 | -174.3 | -65 | -178.7 | -179.5 | 169.2 | 1.9 | 114.1 | L1254 N1258 A1259 | L1254-R1256 PolarHBondContact O-N 3.25Å; R1256-N1258 PolarHBondContact O-N 3.39Å; R1256-A1259 VanDerWaalsContact O-CB 3.31Å; R1256-A1259 WeakPolarHBondContact O-CB 3.45Å; R1256-A1259 PolarHBondContact O-N 2.78Å; R1256-A1259 VanDerWaalsContact O-N 3.09Å |
| 1257 | E | 78.8 | Confident | 68.8 | Low | 145 Ų | 145 | 121.7 Ų | 121.7 | 68% | 0.678 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -66.7 | -30.8 | 176.8 | -164 | 157.6 | -159.3 | 0 | 0 | 111 | A1259 R1260 | E1257-A1259 PolarHBondContact O-N 2.69Å; E1257-R1260 PolarHBondContact O-N 3.07Å |
| 1258 | N | 75.1 | Confident | 70.3 | Confident | 119 Ų | 119 | 123.9 Ų | 123.9 | 64% | 0.636 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -52.3 | -20.9 | 167.6 | -73.4 | -33.3 | 0 | 0 | 0 | 114.9 | L1254 R1256 N1262 | L1254-N1258 PolarHBondContact O-ND2 3.45Å; R1256-N1258 PolarHBondContact O-N 3.39Å; N1258-N1262 PolarHBondContact O-ND2 3.09Å |
| 1259 | A | 73.4 | Confident | 71.6 | Confident | 69 Ų | 69 | 118 Ų | 118 | 57% | 0.57 | 58% | 0.584 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -76 | -28.4 | -178 | 0 | 0 | 0 | 0 | 0 | 113.3 | R1256 E1257 N1262 | R1256-A1259 VanDerWaalsContact O-CB 3.31Å; R1256-A1259 WeakPolarHBondContact O-CB 3.45Å; R1256-A1259 PolarHBondContact O-N 2.78Å; R1256-A1259 VanDerWaalsContact O-N 3.09Å; E1257-A1259 PolarHBondContact O-N 2.69Å; A1259-N1262 PolarHBondContact O-ND2 3.38Å |
| 1260 | R | 68.9 | Low | 72.9 | Confident | 223 Ų | 223 | 120.2 Ų | 120.2 | 84% | 0.842 | 59% | 0.591 | S | S | * | * | S | Bend | trans | -87 | -24.4 | -157.9 | -157.4 | 175.9 | -162.9 | 146.5 | 6.9 | 115.5 | E1257 | E1257-R1260 PolarHBondContact O-N 3.07Š|
| 1261 | L | 80.2 | Confident | 73.3 | Confident | 142 Ų | 142 | 119.7 Ų | 119.7 | 74% | 0.743 | 60% | 0.595 | S | S | * | * | S | Bend | trans | -90.9 | -9.1 | -177.8 | -79 | 159.2 | 0 | 0 | 0 | 113.6 | E1263 | L1261-E1263 VanDerWaalsContact C-N 3.3Å; L1261-E1263 PolarHBondContact O-N 3.34Å |
| 1262 | N | 69.2 | Low | 73.6 | Confident | 92 Ų | 92 | 120 Ų | 120 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -67.6 | -26.1 | -178.3 | -58.1 | -43.1 | 0 | 0 | 0 | 113.6 | N1258 A1259 | N1258-N1262 PolarHBondContact O-ND2 3.09Å; A1259-N1262 PolarHBondContact O-ND2 3.38Å |
| 1263 | E | 75.5 | Confident | 74.2 | Confident | 165 Ų | 165 | 122 Ų | 122 | 77% | 0.771 | 60% | 0.601 | S | S | * | * | H | α-helix | trans | -79.7 | -42.1 | -174.8 | -169.4 | 172.8 | -147 | 0 | 0 | 112.3 | L1261 L1265 Q1266 | L1261-E1263 VanDerWaalsContact C-N 3.3Å; L1261-E1263 PolarHBondContact O-N 3.34Å; E1263-L1265 VanDerWaalsContact C-N 3.29Å; E1263-L1265 PolarHBondContact O-N 3.25Å; E1263-Q1266 WeakPolarHBondContact O-CB 3.49Å; E1263-Q1266 PolarHBondContact O-N 3.47Å |
| 1264 | A | 75.1 | Confident | 74.7 | Confident | 77 Ų | 77 | 121.9 Ų | 121.9 | 64% | 0.636 | 61% | 0.605 | S | S | * | * | H | α-helix | trans | -69.3 | -29.2 | 176.8 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q1266 | A1264-Q1266 PolarHBondContact O-N 2.9Å |
| 1265 | L | 70.2 | Confident | 74.9 | Confident | 106 Ų | 106 | 123.6 Ų | 123.6 | 56% | 0.555 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -59.7 | -29.9 | 172.1 | 178.7 | 62.4 | 0 | 0 | 0 | 112.4 | E1263 N1267 I1269 | E1263-L1265 VanDerWaalsContact C-N 3.29Å; E1263-L1265 PolarHBondContact O-N 3.25Å; L1265-N1267 PolarHBondContact O-N 3.37Å; L1265-I1269 HydrophobicContact CD1-CD1 4.45Å; L1265-I1269 HydrophobicContact CG-CD1 4.01Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.08Å |
| 1266 | Q | 75.2 | Confident | 75.3 | Confident | 115 Ų | 115 | 124 Ų | 124 | 54% | 0.537 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -72.8 | -28.3 | -168.5 | -162.6 | 61.7 | 33 | 0 | 0 | 114.7 | E1263 A1264 | E1263-Q1266 WeakPolarHBondContact O-CB 3.49Å; E1263-Q1266 PolarHBondContact O-N 3.47Å; A1264-Q1266 PolarHBondContact O-N 2.9Å |
| 1267 | N | 68.6 | Low | 75.7 | Confident | 117 Ų | 117 | 116.9 Ų | 116.9 | 63% | 0.626 | 59% | 0.593 | S | S | * | * | H | α-helix | trans | -83 | -31.9 | -175.2 | -70.9 | -26.5 | 0 | 0 | 0 | 113.7 | L1265 I1269 | L1265-N1267 PolarHBondContact O-N 3.37Å; N1267-I1269 VanDerWaalsContact C-N 3.32Å |
| 1268 | E | 79.5 | Confident | 76 | Confident | 126 Ų | 126 | 114.6 Ų | 114.6 | 59% | 0.589 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -78.2 | -19.7 | 174.2 | -78.8 | -65.9 | 151.1 | 0 | 0 | 112.5 | N1272 | E1268-N1272 PolarHBondContact O-ND2 3.22Å |
| 1269 | I | 75.5 | Confident | 76.3 | Confident | 56 Ų | 56 | 114.1 Ų | 114.1 | 29% | 0.287 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -59.4 | -51.6 | 167.3 | -77.5 | 170.7 | 0 | 0 | 0 | 109.8 | L1265 N1267 Q1271 N1272 E1273 | L1265-I1269 HydrophobicContact CD1-CD1 4.45Å; L1265-I1269 HydrophobicContact CG-CD1 4.01Å; L1265-I1269 WeakPolarHBondContact O-CG1 3.08Å; N1267-I1269 VanDerWaalsContact C-N 3.32Å; I1269-Q1271 PolarHBondContact O-N 3.41Å; I1269-N1272 PolarHBondContact O-N 2.71Å; I1269-E1273 HydrophobicContact CG2-CG 4.15Å; I1269-E1273 WeakPolarHBondContact CG2-OE1 3.45Å; I1269-E1273 WeakPolarHBondContact O-CG 3.42Å; I1269-E1273 PolarHBondContact O-N 2.99Å |
| 1270 | E | 79.6 | Confident | 76.5 | Confident | 142 Ų | 142 | 114.9 Ų | 114.9 | 66% | 0.664 | 58% | 0.575 | S | S | * | * | H | α-helix | trans | -62.1 | -41.2 | -169.7 | -134.4 | -177.9 | -153.5 | 0 | 0 | 113.9 | ||
| 1271 | Q | 75.7 | Confident | 77.3 | Confident | 141 Ų | 141 | 108.8 Ų | 108.8 | 66% | 0.659 | 56% | 0.559 | S | S | * | * | H | α-helix | trans | -72.7 | -38.4 | 178.2 | -67.7 | -160.3 | 17.7 | 0 | 0 | 112.9 | I1269 | I1269-Q1271 PolarHBondContact O-N 3.41Å |
| 1272 | N | 76.9 | Confident | 77.2 | Confident | 96 Ų | 96 | 107.5 Ų | 107.5 | 51% | 0.513 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -69.8 | -36.5 | 178.2 | -79 | -77.1 | 0 | 0 | 0 | 111.6 | E1268 I1269 N1274 K1276 | E1268-N1272 PolarHBondContact O-ND2 3.22Å; I1269-N1272 PolarHBondContact O-N 2.71Å; N1272-N1274 VanDerWaalsContact C-N 3.34Å; N1272-N1274 PolarHBondContact O-N 2.84Å; N1272-K1276 WeakPolarHBondContact O-CB 3.46Å; N1272-K1276 PolarHBondContact O-N 2.95Å |
| 1273 | E | 80.6 | Confident | 77.8 | Confident | 120 Ų | 120 | 108.9 Ų | 108.9 | 56% | 0.561 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -56.3 | -45 | 175.6 | -80 | -175.5 | 170.2 | 0 | 0 | 112.4 | I1269 K1276 A1277 | I1269-E1273 HydrophobicContact CG2-CG 4.15Å; I1269-E1273 WeakPolarHBondContact CG2-OE1 3.45Å; I1269-E1273 WeakPolarHBondContact O-CG 3.42Å; I1269-E1273 PolarHBondContact O-N 2.99Å; E1273-K1276 PolarHBondContact O-N 3.05Å; E1273-A1277 VanDerWaalsContact O-CB 3.28Å; E1273-A1277 WeakPolarHBondContact O-CB 3.34Å; E1273-A1277 PolarHBondContact O-N 3.39Å |
| 1274 | N | 79 | Confident | 78 | Confident | 113 Ų | 113 | 105.4 Ų | 105.4 | 60% | 0.604 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -69.1 | -38.4 | -174.6 | -160.5 | 0.9 | 0 | 0 | 0 | 113.4 | N1272 | N1272-N1274 VanDerWaalsContact C-N 3.34Å; N1272-N1274 PolarHBondContact O-N 2.84Å |
| 1275 | I | 74.1 | Confident | 78.6 | Confident | 122 Ų | 122 | 109.9 Ų | 109.9 | 63% | 0.626 | 54% | 0.542 | S | S | * | . | H | α-helix | trans | -73.3 | -41.4 | 175.2 | -63.3 | 178.3 | 0 | 0 | 0 | 110.7 | A1277 N1278 N1279 | I1275-A1277 PolarHBondContact O-N 2.71Å; I1275-N1278 PolarHBondContact O-N 2.92Å; I1275-N1279 PolarHBondContact O-N 3.11Å |
| 1276 | K | 78.4 | Confident | 79.2 | Confident | 132 Ų | 132 | 110.4 Ų | 110.4 | 57% | 0.574 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -60.6 | -44.1 | 178.2 | -171.4 | 178.3 | -178.6 | -176.9 | 0 | 111.2 | N1272 E1273 N1278 N1279 Q1280 | N1272-K1276 WeakPolarHBondContact O-CB 3.46Å; N1272-K1276 PolarHBondContact O-N 2.95Å; E1273-K1276 PolarHBondContact O-N 3.05Å; K1276-N1278 VanDerWaalsContact C-N 3.33Å; K1276-N1278 PolarHBondContact O-N 2.76Å; K1276-N1279 PolarHBondContact O-N 2.95Å; K1276-Q1280 HydrophobicContact CG-CG 4.47Å; K1276-Q1280 WeakPolarHBondContact O-CB 3.46Å; K1276-Q1280 VanDerWaalsContact O-CG 3.22Å; K1276-Q1280 WeakPolarHBondContact O-CG 3.36Å; K1276-Q1280 PolarHBondContact O-N 3.33Å; K1276-Q1280 PolarHBondContact O-OE1 2.92Å |
| 1277 | A | 80.5 | Confident | 79.4 | Confident | 36 Ų | 36 | 108.1 Ų | 108.1 | 30% | 0.298 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -56.5 | -41.1 | 177.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | E1273 I1275 N1281 | E1273-A1277 VanDerWaalsContact O-CB 3.28Å; E1273-A1277 WeakPolarHBondContact O-CB 3.34Å; E1273-A1277 PolarHBondContact O-N 3.39Å; I1275-A1277 PolarHBondContact O-N 2.71Å; A1277-N1281 VanDerWaalsContact O-CG 3.24Å; A1277-N1281 PolarHBondContact O-N 2.81Å; A1277-N1281 PolarHBondContact O-ND2 3.29Å; A1277-N1281 VanDerWaalsContact O-ND2 3.15Å |
| 1278 | N | 84.7 | Confident | 80.1 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 52% | 0.524 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -73 | -37 | -178.8 | -88.4 | -42.4 | 0 | 0 | 0 | 113.8 | I1275 K1276 N1281 | I1275-N1278 PolarHBondContact O-N 2.92Å; K1276-N1278 VanDerWaalsContact C-N 3.33Å; K1276-N1278 PolarHBondContact O-N 2.76Å; N1278-N1281 PolarHBondContact O-N 3.07Å |
| 1279 | N | 81.7 | Confident | 80.1 | Confident | 108 Ų | 108 | 105.2 Ų | 105.2 | 58% | 0.578 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -69.1 | -41.2 | 172.8 | -75.1 | -25.7 | 0 | 0 | 0 | 111.1 | I1275 K1276 N1281 L1282 E1283 | I1275-N1279 PolarHBondContact O-N 3.11Å; K1276-N1279 PolarHBondContact O-N 2.95Å; N1279-N1281 VanDerWaalsContact C-N 3.3Å; N1279-N1281 PolarHBondContact O-N 3.48Å; N1279-L1282 PolarHBondContact O-N 3.02Å; N1279-L1282 VanDerWaalsContact O-N 3.15Å; N1279-E1283 PolarHBondContact O-N 2.76Å |
| 1280 | Q | 77.5 | Confident | 80.5 | Confident | 85 Ų | 85 | 108.9 Ų | 108.9 | 40% | 0.397 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -55.6 | -43.6 | 172 | -74.1 | 171.9 | -43.2 | 0 | 0 | 111.5 | K1276 L1282 E1283 I1284 | K1276-Q1280 HydrophobicContact CG-CG 4.47Å; K1276-Q1280 WeakPolarHBondContact O-CB 3.46Å; K1276-Q1280 VanDerWaalsContact O-CG 3.22Å; K1276-Q1280 WeakPolarHBondContact O-CG 3.36Å; K1276-Q1280 PolarHBondContact O-N 3.33Å; K1276-Q1280 PolarHBondContact O-OE1 2.92Å; Q1280-L1282 VanDerWaalsContact C-N 3.26Å; Q1280-L1282 PolarHBondContact O-N 3.34Å; Q1280-E1283 PolarHBondContact O-N 3.12Å; Q1280-I1284 HydrophobicContact CB-CD1 4.38Å; Q1280-I1284 VanDerWaalsContact O-CB 3.26Å; Q1280-I1284 WeakPolarHBondContact O-CB 3.34Å; Q1280-I1284 WeakPolarHBondContact O-CD1 3.33Å; Q1280-I1284 WeakPolarHBondContact O-CG1 3.21Å; Q1280-I1284 PolarHBondContact O-N 3.41Å |
| 1281 | N | 85.4 | Confident | 80.5 | Confident | 95 Ų | 95 | 107.7 Ų | 107.7 | 51% | 0.508 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -59.1 | -31.2 | 178.3 | -78.4 | -34.6 | 0 | 0 | 0 | 114.3 | A1277 N1278 N1279 R1285 | A1277-N1281 VanDerWaalsContact O-CG 3.24Å; A1277-N1281 PolarHBondContact O-N 2.81Å; A1277-N1281 PolarHBondContact O-ND2 3.29Å; A1277-N1281 VanDerWaalsContact O-ND2 3.15Å; N1278-N1281 PolarHBondContact O-N 3.07Å; N1279-N1281 VanDerWaalsContact C-N 3.3Å; N1279-N1281 PolarHBondContact O-N 3.48Å; N1281-R1285 WeakPolarHBondContact O-CB 3.39Å; N1281-R1285 PolarHBondContact O-N 3.43Å |
| 1282 | L | 77.4 | Confident | 81 | Confident | 115 Ų | 115 | 106.3 Ų | 106.3 | 60% | 0.602 | 52% | 0.524 | S | S | * | . | H | α-helix | trans | -81.8 | -40.9 | 175.5 | -70.5 | 175.2 | 0 | 0 | 0 | 112.1 | N1279 Q1280 R1285 I1286 | N1279-L1282 PolarHBondContact O-N 3.02Å; N1279-L1282 VanDerWaalsContact O-N 3.15Å; Q1280-L1282 VanDerWaalsContact C-N 3.26Å; Q1280-L1282 PolarHBondContact O-N 3.34Å; L1282-R1285 PolarHBondContact O-N 2.93Å; L1282-I1286 PolarHBondContact O-N 3.49Å; L1282-I1286 VanDerWaalsContact O-N 3.08Å |
| 1283 | E | 82.9 | Confident | 81.2 | Confident | 121 Ų | 121 | 105.6 Ų | 105.6 | 57% | 0.565 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -61.4 | -48.6 | 176 | -174.2 | 172.9 | -161.9 | 0 | 0 | 111.4 | N1279 Q1280 R1285 I1286 N1287 | N1279-E1283 PolarHBondContact O-N 2.76Å; Q1280-E1283 PolarHBondContact O-N 3.12Å; E1283-R1285 PolarHBondContact O-N 3.25Å; E1283-I1286 PolarHBondContact O-N 2.97Å; E1283-N1287 WeakPolarHBondContact O-CB 3.42Å; E1283-N1287 PolarHBondContact O-N 2.8Å; E1283-N1287 PolarHBondContact O-ND2 3.17Å |
| 1284 | I | 80.1 | Confident | 81.3 | Confident | 93 Ų | 93 | 103.1 Ų | 103.1 | 48% | 0.477 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -50.8 | -45.8 | 170.8 | -70.6 | 166.5 | 0 | 0 | 0 | 110.3 | Q1280 I1286 N1287 T1288 | Q1280-I1284 HydrophobicContact CB-CD1 4.38Å; Q1280-I1284 VanDerWaalsContact O-CB 3.26Å; Q1280-I1284 WeakPolarHBondContact O-CB 3.34Å; Q1280-I1284 WeakPolarHBondContact O-CD1 3.33Å; Q1280-I1284 WeakPolarHBondContact O-CG1 3.21Å; Q1280-I1284 PolarHBondContact O-N 3.41Å; I1284-I1286 PolarHBondContact O-N 2.95Å; I1284-N1287 PolarHBondContact O-N 3.09Å; I1284-T1288 HydrophobicContact CG2-CG2 4.32Å; I1284-T1288 WeakPolarHBondContact O-CG2 3.48Å; I1284-T1288 PolarHBondContact O-N 2.86Å |
| 1285 | R | 87.3 | Confident | 81.5 | Confident | 171 Ų | 171 | 100.3 Ų | 100.3 | 65% | 0.645 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -69.8 | -34.5 | -175.1 | -158.4 | 171 | -172.2 | 174.2 | 2 | 113.2 | N1281 L1282 E1283 T1288 F1289 | N1281-R1285 WeakPolarHBondContact O-CB 3.39Å; N1281-R1285 PolarHBondContact O-N 3.43Å; L1282-R1285 PolarHBondContact O-N 2.93Å; E1283-R1285 PolarHBondContact O-N 3.25Å; R1285-T1288 PolarHBondContact O-OG1 3Å; R1285-F1289 WeakPolarHBondContact O-CD2 3.49Å |
| 1286 | I | 82.8 | Confident | 82 | Confident | 116 Ų | 116 | 99 Ų | 99 | 60% | 0.595 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -67.4 | -46.2 | 171.2 | -67.6 | 173.2 | 0 | 0 | 0 | 109.8 | L1282 E1283 I1284 T1288 F1289 Q1290 | L1282-I1286 PolarHBondContact O-N 3.49Å; L1282-I1286 VanDerWaalsContact O-N 3.08Å; E1283-I1286 PolarHBondContact O-N 2.97Å; I1284-I1286 PolarHBondContact O-N 2.95Å; I1286-T1288 VanDerWaalsContact C-N 3.34Å; I1286-T1288 PolarHBondContact O-N 3.23Å; I1286-F1289 PolarHBondContact O-N 2.97Å; I1286-Q1290 PolarHBondContact O-N 2.83Å |
| 1287 | N | 79.3 | Confident | 82.3 | Confident | 68 Ų | 68 | 99.4 Ų | 99.4 | 36% | 0.364 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -57.4 | -44.7 | 177.6 | -67 | -17.6 | 0 | 0 | 0 | 111.3 | E1283 I1284 F1289 Q1290 E1291 | E1283-N1287 WeakPolarHBondContact O-CB 3.42Å; E1283-N1287 PolarHBondContact O-N 2.8Å; E1283-N1287 PolarHBondContact O-ND2 3.17Å; I1284-N1287 PolarHBondContact O-N 3.09Å; N1287-F1289 VanDerWaalsContact C-N 3.27Å; N1287-F1289 PolarHBondContact O-N 3.09Å; N1287-F1289 VanDerWaalsContact O-N 3.17Å; N1287-Q1290 PolarHBondContact O-N 2.78Å; N1287-E1291 WeakPolarHBondContact O-CB 3.5Å; N1287-E1291 VanDerWaalsContact O-CG 3.24Å; N1287-E1291 WeakPolarHBondContact O-CG 3.4Å; N1287-E1291 PolarHBondContact O-N 2.91Å |
| 1288 | T | 84.2 | Confident | 82.4 | Confident | 47 Ų | 47 | 106 Ų | 106 | 29% | 0.288 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -58.8 | -31.3 | 179.4 | 58.2 | 0 | 0 | 0 | 0 | 114.5 | I1284 R1285 I1286 Q1292 | I1284-T1288 HydrophobicContact CG2-CG2 4.32Å; I1284-T1288 WeakPolarHBondContact O-CG2 3.48Å; I1284-T1288 PolarHBondContact O-N 2.86Å; R1285-T1288 PolarHBondContact O-OG1 3Å; I1286-T1288 VanDerWaalsContact C-N 3.34Å; I1286-T1288 PolarHBondContact O-N 3.23Å; T1288-Q1292 WeakPolarHBondContact O-CB 3.45Å; T1288-Q1292 WeakPolarHBondContact O-CG 3.47Å; T1288-Q1292 PolarHBondContact O-N 3.12Å |
| 1289 | F | 79.4 | Confident | 82.6 | Confident | 135 Ų | 135 | 106.8 Ų | 106.8 | 59% | 0.592 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -76.7 | -37.8 | 175.3 | -77.5 | -61.1 | 0 | 0 | 0 | 112.3 | R1285 I1286 N1287 Q1292 S1293 | R1285-F1289 WeakPolarHBondContact O-CD2 3.49Å; I1286-F1289 PolarHBondContact O-N 2.97Å; N1287-F1289 VanDerWaalsContact C-N 3.27Å; N1287-F1289 PolarHBondContact O-N 3.09Å; N1287-F1289 VanDerWaalsContact O-N 3.17Å; F1289-Q1292 PolarHBondContact O-N 2.83Å; F1289-S1293 PolarHBondContact O-N 3.21Å; F1289-S1293 VanDerWaalsContact O-N 3.14Å |
| 1290 | Q | 83.4 | Confident | 82.9 | Confident | 132 Ų | 132 | 107 Ų | 107 | 62% | 0.617 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -68.6 | -39.6 | 175 | -171.1 | 164.9 | -23.7 | 0 | 0 | 111.1 | I1286 N1287 S1293 V1294 | I1286-Q1290 PolarHBondContact O-N 2.83Å; N1287-Q1290 PolarHBondContact O-N 2.78Å; Q1290-S1293 PolarHBondContact O-N 3.41Å; Q1290-V1294 WeakPolarHBondContact O-CG2 3.38Å; Q1290-V1294 PolarHBondContact O-N 2.67Å |
| 1291 | E | 78.4 | Confident | 83.3 | Confident | 117 Ų | 117 | 105.9 Ų | 105.9 | 55% | 0.547 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -59.2 | -42.6 | 170.4 | -73.2 | 164.4 | -169.4 | 0 | 0 | 112.1 | N1287 V1294 S1295 | N1287-E1291 WeakPolarHBondContact O-CB 3.5Å; N1287-E1291 VanDerWaalsContact O-CG 3.24Å; N1287-E1291 WeakPolarHBondContact O-CG 3.4Å; N1287-E1291 PolarHBondContact O-N 2.91Å; E1291-V1294 PolarHBondContact O-N 3.38Å; E1291-S1295 WeakPolarHBondContact O-CB 3.37Å; E1291-S1295 PolarHBondContact O-N 2.81Å |
| 1292 | Q | 87 | Confident | 83.4 | Confident | 113 Ų | 113 | 106.7 Ų | 106.7 | 53% | 0.528 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -61.1 | -44.7 | 174.8 | -79.7 | 169.1 | 21.1 | 0 | 0 | 112.2 | T1288 F1289 S1295 V1296 | T1288-Q1292 WeakPolarHBondContact O-CB 3.45Å; T1288-Q1292 WeakPolarHBondContact O-CG 3.47Å; T1288-Q1292 PolarHBondContact O-N 3.12Å; F1289-Q1292 PolarHBondContact O-N 2.83Å; Q1292-S1295 WeakPolarHBondContact O-CB 3.26Å; Q1292-S1295 PolarHBondContact O-N 3.49Å; Q1292-V1296 PolarHBondContact O-N 3.43Å; Q1292-V1296 VanDerWaalsContact O-N 3.12Å |
| 1293 | S | 80.3 | Confident | 83.9 | Confident | 80 Ų | 80 | 106.8 Ų | 106.8 | 56% | 0.559 | 54% | 0.535 | S | S | * | . | H | α-helix | trans | -63.3 | -44 | 176.6 | -169.8 | 0 | 0 | 0 | 0 | 111.9 | F1289 Q1290 S1295 Q1297 | F1289-S1293 PolarHBondContact O-N 3.21Å; F1289-S1293 VanDerWaalsContact O-N 3.14Å; Q1290-S1293 PolarHBondContact O-N 3.41Å; S1293-S1295 VanDerWaalsContact C-N 3.33Å; S1293-Q1297 PolarHBondContact O-N 2.74Å |
| 1294 | V | 84.5 | Confident | 84.3 | Confident | 68 Ų | 68 | 106.6 Ų | 106.6 | 41% | 0.412 | 54% | 0.536 | S | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 176.5 | 171.2 | 0 | 0 | 0 | 0 | 111.2 | Q1290 E1291 Q1297 R1298 | Q1290-V1294 WeakPolarHBondContact O-CG2 3.38Å; Q1290-V1294 PolarHBondContact O-N 2.67Å; E1291-V1294 PolarHBondContact O-N 3.38Å; V1294-Q1297 PolarHBondContact O-N 2.75Å; V1294-R1298 WeakPolarHBondContact O-CB 3.3Å; V1294-R1298 PolarHBondContact O-N 3.4Å |
| 1295 | S | 82.1 | Confident | 84.6 | Confident | 54 Ų | 54 | 103.8 Ų | 103.8 | 38% | 0.378 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -62.5 | -48.2 | 178.3 | -176.5 | 0 | 0 | 0 | 0 | 112.1 | E1291 Q1292 S1293 Q1297 R1298 Q1299 | E1291-S1295 WeakPolarHBondContact O-CB 3.37Å; E1291-S1295 PolarHBondContact O-N 2.81Å; Q1292-S1295 WeakPolarHBondContact O-CB 3.26Å; Q1292-S1295 PolarHBondContact O-N 3.49Å; S1293-S1295 VanDerWaalsContact C-N 3.33Å; S1295-Q1297 VanDerWaalsContact C-N 3.32Å; S1295-Q1297 PolarHBondContact O-N 3.3Å; S1295-R1298 WeakPolarHBondContact O-CB 3.1Å; S1295-R1298 PolarHBondContact O-N 2.8Å; S1295-R1298 VanDerWaalsContact O-N 3.13Å; S1295-Q1299 WeakPolarHBondContact O-CG 3.2Å; S1295-Q1299 PolarHBondContact O-N 2.81Å |
| 1296 | V | 83.9 | Confident | 84.7 | Confident | 95 Ų | 95 | 98.1 Ų | 98.1 | 58% | 0.576 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -63.6 | -38.8 | 176.7 | 176.3 | 0 | 0 | 0 | 0 | 111.4 | Q1292 R1298 Q1299 L1300 | Q1292-V1296 PolarHBondContact O-N 3.43Å; Q1292-V1296 VanDerWaalsContact O-N 3.12Å; V1296-R1298 VanDerWaalsContact C-N 3.33Å; V1296-R1298 PolarHBondContact O-N 2.83Å; V1296-Q1299 PolarHBondContact O-N 3.42Å; V1296-L1300 PolarHBondContact O-N 2.91Å; V1296-L1300 VanDerWaalsContact O-N 3.16Å |
| 1297 | Q | 85.9 | Confident | 84.9 | Confident | 141 Ų | 141 | 97.9 Ų | 97.9 | 66% | 0.659 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -64.4 | -37.5 | 174.1 | -121.5 | 173.7 | -2 | 0 | 0 | 112.3 | S1293 V1294 S1295 L1300 A1301 | S1293-Q1297 PolarHBondContact O-N 2.74Å; V1294-Q1297 PolarHBondContact O-N 2.75Å; S1295-Q1297 VanDerWaalsContact C-N 3.32Å; S1295-Q1297 PolarHBondContact O-N 3.3Å; Q1297-L1300 PolarHBondContact O-N 3.18Å; Q1297-A1301 PolarHBondContact O-N 3.34Å |
| 1298 | R | 81.4 | Confident | 85.4 | Confident | 174 Ų | 174 | 97 Ų | 97 | 66% | 0.657 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 174.9 | -155.3 | -177 | -150 | 109.4 | -1.2 | 111.4 | V1294 S1295 V1296 L1300 A1301 E1302 | V1294-R1298 WeakPolarHBondContact O-CB 3.3Å; V1294-R1298 PolarHBondContact O-N 3.4Å; S1295-R1298 WeakPolarHBondContact O-CB 3.1Å; S1295-R1298 PolarHBondContact O-N 2.8Å; S1295-R1298 VanDerWaalsContact O-N 3.13Å; V1296-R1298 VanDerWaalsContact C-N 3.33Å; V1296-R1298 PolarHBondContact O-N 2.83Å; R1298-L1300 VanDerWaalsContact C-N 3.34Å; R1298-L1300 PolarHBondContact O-N 2.88Å; R1298-A1301 PolarHBondContact O-N 3.39Å; R1298-E1302 VanDerWaalsContact O-CB 3.28Å; R1298-E1302 WeakPolarHBondContact O-CB 3.35Å; R1298-E1302 PolarHBondContact O-N 2.86Å |
| 1299 | Q | 89.5 | Confident | 85.5 | Confident | 115 Ų | 115 | 101.1 Ų | 101.1 | 54% | 0.537 | 52% | 0.524 | S | S | . | . | H | α-helix | trans | -59.9 | -41 | 177.2 | -72.1 | 171.9 | 3.5 | 0 | 0 | 112.3 | S1295 V1296 E1302 L1303 | S1295-Q1299 WeakPolarHBondContact O-CG 3.2Å; S1295-Q1299 PolarHBondContact O-N 2.81Å; V1296-Q1299 PolarHBondContact O-N 3.42Å; Q1299-E1302 PolarHBondContact O-N 3.03Å; Q1299-L1303 WeakPolarHBondContact O-CB 3.4Å; Q1299-L1303 PolarHBondContact O-N 2.92Å |
| 1300 | L | 88.2 | Confident | 85.9 | Confident | 113 Ų | 113 | 98.8 Ų | 98.8 | 59% | 0.592 | 52% | 0.517 | S | S | * | . | H | α-helix | trans | -66.1 | -43.9 | 176.8 | -178 | 62.2 | 0 | 0 | 0 | 112.1 | V1296 Q1297 R1298 E1302 L1303 I1304 | V1296-L1300 PolarHBondContact O-N 2.91Å; V1296-L1300 VanDerWaalsContact O-N 3.16Å; Q1297-L1300 PolarHBondContact O-N 3.18Å; R1298-L1300 VanDerWaalsContact C-N 3.34Å; R1298-L1300 PolarHBondContact O-N 2.88Å; L1300-E1302 VanDerWaalsContact C-N 3.32Å; L1300-L1303 PolarHBondContact O-N 3.26Å; L1300-I1304 WeakPolarHBondContact O-CG1 3.49Å; L1300-I1304 PolarHBondContact O-N 2.79Å; L1300-I1304 VanDerWaalsContact O-N 3.15Å |
| 1301 | A | 86.4 | Confident | 86.2 | Confident | 60 Ų | 60 | 99 Ų | 99 | 50% | 0.496 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -64.6 | -37.7 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112 | Q1297 R1298 I1304 A1305 | Q1297-A1301 PolarHBondContact O-N 3.34Å; R1298-A1301 PolarHBondContact O-N 3.39Å; A1301-I1304 PolarHBondContact O-N 3.01Å; A1301-A1305 WeakPolarHBondContact O-CB 3.48Å; A1301-A1305 PolarHBondContact O-N 2.86Å |
| 1302 | E | 86.7 | Confident | 86.8 | Confident | 112 Ų | 112 | 97.7 Ų | 97.7 | 52% | 0.523 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -67.8 | -37.1 | 175.9 | -176.1 | 152.8 | -136.5 | 0 | 0 | 112.3 | R1298 Q1299 L1300 A1305 T1306 | R1298-E1302 VanDerWaalsContact O-CB 3.28Å; R1298-E1302 WeakPolarHBondContact O-CB 3.35Å; R1298-E1302 PolarHBondContact O-N 2.86Å; Q1299-E1302 PolarHBondContact O-N 3.03Å; L1300-E1302 VanDerWaalsContact C-N 3.32Å; E1302-A1305 CarbonylContact O-C 3.49Å; E1302-A1305 WeakPolarHBondContact O-CB 3.45Å; E1302-A1305 PolarHBondContact O-N 3.22Å; E1302-T1306 WeakPolarHBondContact O-CG2 3.38Å; E1302-T1306 PolarHBondContact O-N 3.3Å |
| 1303 | L | 89.2 | Confident | 86.8 | Confident | 118 Ų | 118 | 97.2 Ų | 97.2 | 62% | 0.618 | 52% | 0.516 | S | S | * | . | H | α-helix | trans | -62.8 | -45.4 | 173.5 | -151.7 | 80.5 | 0 | 0 | 0 | 111.3 | Q1299 L1300 A1305 T1306 N1307 | Q1299-L1303 WeakPolarHBondContact O-CB 3.4Å; Q1299-L1303 PolarHBondContact O-N 2.92Å; L1300-L1303 PolarHBondContact O-N 3.26Å; L1303-A1305 VanDerWaalsContact C-N 3.3Å; L1303-A1305 PolarHBondContact O-N 3.18Å; L1303-T1306 WeakPolarHBondContact CA-OG1 3.39Å; L1303-T1306 PolarHBondContact O-N 3.46Å; L1303-T1306 PolarHBondContact O-OG1 3.04Å; L1303-N1307 PolarHBondContact O-N 3.24Å |
| 1304 | I | 90.6 | Very high | 87.2 | Confident | 116 Ų | 116 | 98 Ų | 98 | 60% | 0.595 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -59.7 | -42.8 | 173.8 | -65.8 | 167 | 0 | 0 | 0 | 110.5 | L1300 A1301 N1307 A1308 | L1300-I1304 WeakPolarHBondContact O-CG1 3.49Å; L1300-I1304 PolarHBondContact O-N 2.79Å; L1300-I1304 VanDerWaalsContact O-N 3.15Å; A1301-I1304 PolarHBondContact O-N 3.01Å; I1304-N1307 PolarHBondContact O-N 3.2Å; I1304-A1308 PolarHBondContact O-N 3Å |
| 1305 | A | 86.1 | Confident | 87.4 | Confident | 34 Ų | 34 | 99 Ų | 99 | 28% | 0.281 | 52% | 0.52 | S | S | . | . | H | α-helix | trans | -64.7 | -36.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 113 | A1301 E1302 L1303 R1309 | A1301-A1305 WeakPolarHBondContact O-CB 3.48Å; A1301-A1305 PolarHBondContact O-N 2.86Å; E1302-A1305 CarbonylContact O-C 3.49Å; E1302-A1305 WeakPolarHBondContact O-CB 3.45Å; E1302-A1305 PolarHBondContact O-N 3.22Å; L1303-A1305 VanDerWaalsContact C-N 3.3Å; L1303-A1305 PolarHBondContact O-N 3.18Å; A1305-R1309 WeakPolarHBondContact O-CB 3.42Å; A1305-R1309 VanDerWaalsContact O-CG 3.29Å; A1305-R1309 WeakPolarHBondContact O-CG 3.42Å; A1305-R1309 PolarHBondContact O-N 3.48Å |
| 1306 | T | 89.8 | Confident | 87.7 | Confident | 53 Ų | 53 | 99.3 Ų | 99.3 | 33% | 0.325 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -64.4 | -42 | 173.3 | 56.4 | 0 | 0 | 0 | 0 | 112.2 | E1302 L1303 R1309 L1310 | E1302-T1306 WeakPolarHBondContact O-CG2 3.38Å; E1302-T1306 PolarHBondContact O-N 3.3Å; L1303-T1306 WeakPolarHBondContact CA-OG1 3.39Å; L1303-T1306 PolarHBondContact O-N 3.46Å; L1303-T1306 PolarHBondContact O-OG1 3.04Å; T1306-R1309 VanDerWaalsContact CG2-NH2 3.29Å; T1306-R1309 PolarHBondContact O-N 2.9Å; T1306-L1310 WeakPolarHBondContact O-CB 3.26Å; T1306-L1310 WeakPolarHBondContact O-CG 3.4Å; T1306-L1310 PolarHBondContact O-N 3.42Å |
| 1307 | N | 87.1 | Confident | 88 | Confident | 111 Ų | 111 | 98.6 Ų | 98.6 | 59% | 0.594 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -66.8 | -40.9 | 179 | -161.6 | 24.7 | 0 | 0 | 0 | 111.6 | L1303 I1304 L1310 Q1311 | L1303-N1307 PolarHBondContact O-N 3.24Å; I1304-N1307 PolarHBondContact O-N 3.2Å; N1307-L1310 PolarHBondContact O-N 3.35Å; N1307-Q1311 WeakPolarHBondContact O-CB 3.45Å; N1307-Q1311 PolarHBondContact O-N 2.93Å |
| 1308 | A | 90.3 | Very high | 88.2 | Confident | 50 Ų | 50 | 97.8 Ų | 97.8 | 41% | 0.413 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.1 | -41.5 | 172.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | I1304 Q1311 V1312 | I1304-A1308 PolarHBondContact O-N 3Å; A1308-Q1311 PolarHBondContact O-N 3.35Å; A1308-V1312 WeakPolarHBondContact O-CG2 3.39Å; A1308-V1312 PolarHBondContact O-N 3.25Å; A1308-V1312 VanDerWaalsContact O-N 3.07Å |
| 1309 | R | 85.9 | Confident | 88.3 | Confident | 133 Ų | 133 | 92.9 Ų | 92.9 | 50% | 0.502 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -60.3 | -49.8 | 173.5 | -77.6 | -174 | -67 | -108.1 | 9.3 | 111.5 | A1305 T1306 Q1311 V1312 E1313 | A1305-R1309 WeakPolarHBondContact O-CB 3.42Å; A1305-R1309 VanDerWaalsContact O-CG 3.29Å; A1305-R1309 WeakPolarHBondContact O-CG 3.42Å; A1305-R1309 PolarHBondContact O-N 3.48Å; T1306-R1309 VanDerWaalsContact CG2-NH2 3.29Å; T1306-R1309 PolarHBondContact O-N 2.9Å; R1309-Q1311 VanDerWaalsContact C-N 3.28Å; R1309-Q1311 PolarHBondContact O-N 3.31Å; R1309-V1312 PolarHBondContact O-N 3.16Å; R1309-E1313 WeakPolarHBondContact O-CB 3.16Å; R1309-E1313 PolarHBondContact O-N 3.23Å |
| 1310 | L | 86.8 | Confident | 88.4 | Confident | 86 Ų | 86 | 91.8 Ų | 91.8 | 45% | 0.45 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -61.4 | -34.6 | 177.9 | -73.3 | 167.5 | 0 | 0 | 0 | 112.5 | T1306 N1307 E1313 N1314 | T1306-L1310 WeakPolarHBondContact O-CB 3.26Å; T1306-L1310 WeakPolarHBondContact O-CG 3.4Å; T1306-L1310 PolarHBondContact O-N 3.42Å; N1307-L1310 PolarHBondContact O-N 3.35Å; L1310-E1313 PolarHBondContact O-N 3.5Å; L1310-N1314 WeakPolarHBondContact O-CB 3.09Å; L1310-N1314 PolarHBondContact O-N 3.24Å; L1310-N1314 PolarHBondContact O-ND2 3.43Å |
| 1311 | Q | 91.1 | Very high | 88.4 | Confident | 135 Ų | 135 | 91.9 Ų | 91.9 | 63% | 0.631 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -69.8 | -40.5 | 176.3 | -169 | 172.3 | 6.9 | 0 | 0 | 112.2 | N1307 A1308 R1309 T1315 | N1307-Q1311 WeakPolarHBondContact O-CB 3.45Å; N1307-Q1311 PolarHBondContact O-N 2.93Å; A1308-Q1311 PolarHBondContact O-N 3.35Å; R1309-Q1311 VanDerWaalsContact C-N 3.28Å; R1309-Q1311 PolarHBondContact O-N 3.31Å; Q1311-T1315 PolarHBondContact O-N 3.05Å; Q1311-T1315 PolarHBondContact O-OG1 3.39Å |
| 1312 | V | 91.1 | Very high | 88.6 | Confident | 90 Ų | 90 | 93.8 Ų | 93.8 | 55% | 0.545 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -68.9 | -35.7 | 173.4 | 172.4 | 0 | 0 | 0 | 0 | 111.7 | A1308 R1309 T1315 T1316 | A1308-V1312 WeakPolarHBondContact O-CG2 3.39Å; A1308-V1312 PolarHBondContact O-N 3.25Å; A1308-V1312 VanDerWaalsContact O-N 3.07Å; R1309-V1312 PolarHBondContact O-N 3.16Å; V1312-T1315 PolarHBondContact O-N 3.5Å; V1312-T1315 PolarHBondContact O-OG1 2.67Å; V1312-T1315 VanDerWaalsContact O-OG1 3.06Å; V1312-T1316 VanDerWaalsContact O-CB 3.3Å; V1312-T1316 WeakPolarHBondContact O-CB 3.1Å; V1312-T1316 PolarHBondContact O-N 3Å; V1312-T1316 PolarHBondContact O-OG1 3.44Å |
| 1313 | E | 87.1 | Confident | 88.5 | Confident | 104 Ų | 104 | 91.4 Ų | 91.4 | 49% | 0.486 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.3 | -44.9 | 174.7 | -173.5 | 173 | -173 | 0 | 0 | 110.9 | R1309 L1310 T1315 T1316 L1317 | R1309-E1313 WeakPolarHBondContact O-CB 3.16Å; R1309-E1313 PolarHBondContact O-N 3.23Å; L1310-E1313 PolarHBondContact O-N 3.5Å; E1313-T1315 PolarHBondContact O-N 2.94Å; E1313-T1316 PolarHBondContact O-N 2.94Å; E1313-L1317 HydrophobicContact CG-CD1 4.1Å; E1313-L1317 WeakPolarHBondContact O-CB 3.45Å; E1313-L1317 WeakPolarHBondContact O-CG 3.49Å; E1313-L1317 PolarHBondContact O-N 3.09Å |
| 1314 | N | 87.6 | Confident | 88.6 | Confident | 96 Ų | 96 | 91.1 Ų | 91.1 | 51% | 0.513 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -62.4 | -38.4 | 176.3 | -87.1 | -84.8 | 0 | 0 | 0 | 113.6 | L1310 H1318 | L1310-N1314 WeakPolarHBondContact O-CB 3.09Å; L1310-N1314 PolarHBondContact O-N 3.24Å; L1310-N1314 PolarHBondContact O-ND2 3.43Å; N1314-H1318 PolarHBondContact O-N 2.89Å; N1314-H1318 VanDerWaalsContact O-N 3.08Å; N1314-H1318 PolarHBondContact O-ND1 3.18Å |
| 1315 | T | 89.6 | Confident | 88.5 | Confident | 90 Ų | 90 | 89.8 Ų | 89.8 | 55% | 0.552 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -74.1 | -31.3 | 175.2 | 56 | 0 | 0 | 0 | 0 | 112.3 | Q1311 V1312 E1313 H1318 S1319 | Q1311-T1315 PolarHBondContact O-N 3.05Å; Q1311-T1315 PolarHBondContact O-OG1 3.39Å; V1312-T1315 PolarHBondContact O-N 3.5Å; V1312-T1315 PolarHBondContact O-OG1 2.67Å; V1312-T1315 VanDerWaalsContact O-OG1 3.06Å; E1313-T1315 PolarHBondContact O-N 2.94Å; T1315-H1318 PolarHBondContact O-N 2.87Å; T1315-S1319 PolarHBondContact O-N 3.48Å |
| 1316 | T | 87 | Confident | 88.7 | Confident | 59 Ų | 59 | 88.9 Ų | 88.9 | 36% | 0.362 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -69 | -42.7 | 173.4 | -57.6 | 0 | 0 | 0 | 0 | 111.5 | V1312 E1313 H1318 S1319 Q1320 | V1312-T1316 VanDerWaalsContact O-CB 3.3Å; V1312-T1316 WeakPolarHBondContact O-CB 3.1Å; V1312-T1316 PolarHBondContact O-N 3Å; V1312-T1316 PolarHBondContact O-OG1 3.44Å; E1313-T1316 PolarHBondContact O-N 2.94Å; T1316-H1318 VanDerWaalsContact C-N 3.33Å; T1316-H1318 PolarHBondContact O-N 3.49Å; T1316-S1319 PolarHBondContact O-N 3.33Å; T1316-S1319 PolarHBondContact O-OG 2.82Å; T1316-Q1320 WeakPolarHBondContact O-CG 3.38Å; T1316-Q1320 PolarHBondContact O-N 3.44Å |
| 1317 | L | 90.4 | Very high | 88.7 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 42% | 0.424 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -65 | -36.2 | 174.8 | -71.3 | 170.2 | 0 | 0 | 0 | 111.7 | E1313 Q1320 L1321 | E1313-L1317 HydrophobicContact CG-CD1 4.1Å; E1313-L1317 WeakPolarHBondContact O-CB 3.45Å; E1313-L1317 WeakPolarHBondContact O-CG 3.49Å; E1313-L1317 PolarHBondContact O-N 3.09Å; L1317-Q1320 PolarHBondContact O-N 2.96Å; L1317-L1321 WeakPolarHBondContact O-CB 3.42Å; L1317-L1321 WeakPolarHBondContact O-CG 3.46Å; L1317-L1321 PolarHBondContact O-N 3.34Å |
| 1318 | H | 90.9 | Very high | 88.6 | Confident | 124 Ų | 124 | 91 Ų | 91 | 57% | 0.574 | 48% | 0.478 | S | S | * | . | H | α-helix | trans | -62.2 | -46.2 | 170.1 | -95.9 | 73.7 | 0 | 0 | 0 | 112.3 | N1314 T1315 T1316 Q1320 L1321 D1322 | N1314-H1318 PolarHBondContact O-N 2.89Å; N1314-H1318 VanDerWaalsContact O-N 3.08Å; N1314-H1318 PolarHBondContact O-ND1 3.18Å; T1315-H1318 PolarHBondContact O-N 2.87Å; T1316-H1318 VanDerWaalsContact C-N 3.33Å; T1316-H1318 PolarHBondContact O-N 3.49Å; H1318-Q1320 VanDerWaalsContact C-N 3.29Å; H1318-Q1320 PolarHBondContact O-N 3.23Å; H1318-L1321 PolarHBondContact O-N 3.2Å; H1318-D1322 PolarHBondContact O-N 3.35Å |
| 1319 | S | 83.1 | Confident | 88.5 | Confident | 70 Ų | 70 | 89.2 Ų | 89.2 | 49% | 0.49 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -66.8 | -30.9 | 179.1 | 71.6 | 0 | 0 | 0 | 0 | 112.8 | T1315 T1316 S1323 | T1315-S1319 PolarHBondContact O-N 3.48Å; T1316-S1319 PolarHBondContact O-N 3.33Å; T1316-S1319 PolarHBondContact O-OG 2.82Å; S1319-S1323 VanDerWaalsContact O-CB 3.31Å; S1319-S1323 WeakPolarHBondContact O-CB 3.18Å; S1319-S1323 PolarHBondContact O-N 2.97Å |
| 1320 | Q | 91.1 | Very high | 88.5 | Confident | 93 Ų | 93 | 87.1 Ų | 87.1 | 44% | 0.435 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -67.9 | -44 | 170 | -70.9 | 175.7 | 8 | 0 | 0 | 111.9 | T1316 L1317 H1318 S1323 F1324 | T1316-Q1320 WeakPolarHBondContact O-CG 3.38Å; T1316-Q1320 PolarHBondContact O-N 3.44Å; L1317-Q1320 PolarHBondContact O-N 2.96Å; H1318-Q1320 VanDerWaalsContact C-N 3.29Å; H1318-Q1320 PolarHBondContact O-N 3.23Å; Q1320-S1323 WeakPolarHBondContact O-CB 3.48Å; Q1320-S1323 PolarHBondContact O-N 3.31Å; Q1320-F1324 HydrophobicContact CB-CE2 4.35Å; Q1320-F1324 WeakPolarHBondContact O-CD2 3.34Å; Q1320-F1324 PolarHBondContact O-N 3.3Å |
| 1321 | L | 89.3 | Confident | 88.4 | Confident | 114 Ų | 114 | 88.1 Ų | 88.1 | 60% | 0.597 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -62.1 | -43.8 | 174.9 | -82.2 | 166.4 | 0 | 0 | 0 | 112.5 | L1317 H1318 S1323 F1324 H1325 | L1317-L1321 WeakPolarHBondContact O-CB 3.42Å; L1317-L1321 WeakPolarHBondContact O-CG 3.46Å; L1317-L1321 PolarHBondContact O-N 3.34Å; H1318-L1321 PolarHBondContact O-N 3.2Å; L1321-S1323 VanDerWaalsContact C-N 3.28Å; L1321-S1323 PolarHBondContact O-N 3.31Å; L1321-F1324 PolarHBondContact O-N 3.1Å; L1321-H1325 VanDerWaalsContact O-CB 3.24Å; L1321-H1325 WeakPolarHBondContact O-CB 3.36Å; L1321-H1325 PolarHBondContact O-N 3.41Å |
| 1322 | D | 89.5 | Confident | 88.3 | Confident | 100 Ų | 100 | 83.7 Ų | 83.7 | 54% | 0.535 | 45% | 0.451 | S | S | . | . | H | α-helix | trans | -63.4 | -34.7 | 174.6 | -91.5 | -44.6 | 0 | 0 | 0 | 112.2 | H1318 G1326 | H1318-D1322 PolarHBondContact O-N 3.35Å; D1322-G1326 PolarHBondContact O-N 3.27Å |
| 1323 | S | 85.5 | Confident | 88.2 | Confident | 62 Ų | 62 | 81 Ų | 81 | 43% | 0.434 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -67.1 | -49.7 | 174 | -171.7 | 0 | 0 | 0 | 0 | 112 | S1319 Q1320 L1321 H1325 G1326 Q1327 | S1319-S1323 VanDerWaalsContact O-CB 3.31Å; S1319-S1323 WeakPolarHBondContact O-CB 3.18Å; S1319-S1323 PolarHBondContact O-N 2.97Å; Q1320-S1323 WeakPolarHBondContact O-CB 3.48Å; Q1320-S1323 PolarHBondContact O-N 3.31Å; L1321-S1323 VanDerWaalsContact C-N 3.28Å; L1321-S1323 PolarHBondContact O-N 3.31Å; S1323-H1325 VanDerWaalsContact C-N 3.34Å; S1323-H1325 PolarHBondContact O-N 3.16Å; S1323-G1326 CarbonylContact O-C 3.45Å; S1323-G1326 VanDerWaalsContact O-CA 3.31Å; S1323-G1326 WeakPolarHBondContact O-CA 3.21Å; S1323-G1326 PolarHBondContact O-N 3.49Å; S1323-Q1327 WeakPolarHBondContact O-CG 3.36Å; S1323-Q1327 PolarHBondContact O-N 3.29Å |
| 1324 | F | 89.9 | Confident | 88.3 | Confident | 113 Ų | 113 | 80.3 Ų | 80.3 | 50% | 0.496 | 43% | 0.427 | S | S | . | . | H | α-helix | trans | -63 | -38.3 | 175.2 | -71.3 | -55.7 | 0 | 0 | 0 | 112.2 | Q1320 L1321 G1326 Q1327 N1328 | Q1320-F1324 HydrophobicContact CB-CE2 4.35Å; Q1320-F1324 WeakPolarHBondContact O-CD2 3.34Å; Q1320-F1324 PolarHBondContact O-N 3.3Å; L1321-F1324 PolarHBondContact O-N 3.1Å; F1324-G1326 VanDerWaalsContact C-N 3.25Å; F1324-G1326 PolarHBondContact O-N 3.2Å; F1324-Q1327 PolarHBondContact O-N 3.27Å; F1324-N1328 WeakPolarHBondContact O-CB 3.41Å; F1324-N1328 PolarHBondContact O-N 2.95Å |
| 1325 | H | 90.5 | Very high | 88.3 | Confident | 88 Ų | 88 | 80.2 Ų | 80.2 | 41% | 0.407 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -68.2 | -25.9 | 173.2 | -174.6 | 20.6 | 0 | 0 | 0 | 112 | L1321 S1323 S1329 R1751 | L1321-H1325 VanDerWaalsContact O-CB 3.24Å; L1321-H1325 WeakPolarHBondContact O-CB 3.36Å; L1321-H1325 PolarHBondContact O-N 3.41Å; S1323-H1325 VanDerWaalsContact C-N 3.34Å; S1323-H1325 PolarHBondContact O-N 3.16Å; H1325-S1329 VanDerWaalsContact O-CB 3.22Å; H1325-S1329 WeakPolarHBondContact O-CB 3.27Å; H1325-R1751 PolarHBondContact CD2-NH2 3.19Å; H1325-R1751 PolarHBondContact NE2-NH2 2.96Å |
| 1326 | G | 88.7 | Confident | 88.2 | Confident | 15 Ų | 15 | 79.4 Ų | 79.4 | 16% | 0.155 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -63.9 | -58.1 | 162.8 | 0 | 0 | 0 | 0 | 0 | 111.9 | D1322 S1323 F1324 N1328 S1329 N1330 | D1322-G1326 PolarHBondContact O-N 3.27Å; S1323-G1326 CarbonylContact O-C 3.45Å; S1323-G1326 VanDerWaalsContact O-CA 3.31Å; S1323-G1326 WeakPolarHBondContact O-CA 3.21Å; S1323-G1326 PolarHBondContact O-N 3.49Å; F1324-G1326 VanDerWaalsContact C-N 3.25Å; F1324-G1326 PolarHBondContact O-N 3.2Å; G1326-N1328 PolarHBondContact O-N 3.37Å; G1326-S1329 PolarHBondContact O-N 2.76Å; G1326-S1329 VanDerWaalsContact O-N 3.08Å; G1326-N1330 PolarHBondContact O-N 3.11Å; G1326-N1330 PolarHBondContact O-OD1 2.92Å |
| 1327 | Q | 90.3 | Very high | 88.4 | Confident | 101 Ų | 101 | 81 Ų | 81 | 47% | 0.472 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -55.9 | -52 | -177.8 | -68.2 | 175.7 | 5.5 | 0 | 0 | 112.7 | S1323 F1324 S1329 N1330 L1331 | S1323-Q1327 WeakPolarHBondContact O-CG 3.36Å; S1323-Q1327 PolarHBondContact O-N 3.29Å; F1324-Q1327 PolarHBondContact O-N 3.27Å; Q1327-S1329 PolarHBondContact O-N 3.24Å; Q1327-S1329 VanDerWaalsContact O-N 3.16Å; Q1327-N1330 PolarHBondContact O-N 3.01Å; Q1327-L1331 WeakPolarHBondContact O-CG 3.39Å; Q1327-L1331 PolarHBondContact O-N 3.23Å |
| 1328 | N | 84.6 | Confident | 87.9 | Confident | 106 Ų | 106 | 78.2 Ų | 78.2 | 57% | 0.567 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -56.3 | -33.2 | 177.3 | -79.3 | -3.9 | 0 | 0 | 0 | 112.8 | F1324 G1326 S1332 | F1324-N1328 WeakPolarHBondContact O-CB 3.41Å; F1324-N1328 PolarHBondContact O-N 2.95Å; G1326-N1328 PolarHBondContact O-N 3.37Å; N1328-S1332 WeakPolarHBondContact O-CB 3.32Å; N1328-S1332 PolarHBondContact O-N 2.93Å |
| 1329 | S | 87.7 | Confident | 87.8 | Confident | 13 Ų | 13 | 77.7 Ų | 77.7 | 9% | 0.091 | 41% | 0.408 | C | S | . | . | H | α-helix | trans | -88.5 | -22.6 | -174.9 | -152.2 | 0 | 0 | 0 | 0 | 112.8 | H1325 G1326 Q1327 T1333 S1750 R1751 | H1325-S1329 VanDerWaalsContact O-CB 3.22Å; H1325-S1329 WeakPolarHBondContact O-CB 3.27Å; G1326-S1329 PolarHBondContact O-N 2.76Å; G1326-S1329 VanDerWaalsContact O-N 3.08Å; Q1327-S1329 PolarHBondContact O-N 3.24Å; Q1327-S1329 VanDerWaalsContact O-N 3.16Å; S1329-T1333 PolarHBondContact O-N 2.96Å; S1329-T1333 PolarHBondContact O-OG1 3.1Å; S1329-S1750 PolarHBondContact OG-O 2.94Å; S1329-R1751 PolarHBondContact O-N 3.3Å; S1329-R1751 WeakPolarHBondContact OG-CG 3.44Å; S1329-R1751 PolarHBondContact OG-N 2.94Å |
| 1330 | N | 86.7 | Confident | 88 | Confident | 90 Ų | 90 | 78 Ų | 78 | 48% | 0.481 | 41% | 0.409 | S | S | . | . | H | α-helix | trans | -73.9 | -37 | 162.9 | -65.8 | 10.8 | 0 | 0 | 0 | 111.6 | G1326 Q1327 S1332 T1333 R1334 | G1326-N1330 PolarHBondContact O-N 3.11Å; G1326-N1330 PolarHBondContact O-OD1 2.92Å; Q1327-N1330 PolarHBondContact O-N 3.01Å; N1330-S1332 VanDerWaalsContact C-N 3.33Å; N1330-T1333 WeakPolarHBondContact CA-OG1 3.46Å; N1330-T1333 PolarHBondContact O-N 3.46Å; N1330-T1333 PolarHBondContact O-OG1 3.36Å; N1330-T1333 VanDerWaalsContact O-OG1 3.08Å; N1330-R1334 PolarHBondContact O-N 3.3Å |
| 1331 | L | 85.6 | Confident | 88 | Confident | 107 Ų | 107 | 75.7 Ų | 75.7 | 56% | 0.56 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -63.8 | -41.2 | 171.5 | -72.3 | 171 | 0 | 0 | 0 | 110.6 | Q1327 T1333 R1334 I1335 | Q1327-L1331 WeakPolarHBondContact O-CG 3.39Å; Q1327-L1331 PolarHBondContact O-N 3.23Å; L1331-T1333 PolarHBondContact O-N 2.93Å; L1331-R1334 PolarHBondContact O-N 3.48Å; L1331-I1335 VanDerWaalsContact O-CG1 3.31Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.3Å; L1331-I1335 PolarHBondContact O-N 3.07Å |
| 1332 | S | 88.1 | Confident | 87.8 | Confident | 41 Ų | 41 | 75.3 Ų | 75.3 | 29% | 0.287 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -60.7 | -40 | 174.2 | 174.7 | 0 | 0 | 0 | 0 | 112.9 | N1328 N1330 I1335 T1336 | N1328-S1332 WeakPolarHBondContact O-CB 3.32Å; N1328-S1332 PolarHBondContact O-N 2.93Å; N1330-S1332 VanDerWaalsContact C-N 3.33Å; S1332-I1335 PolarHBondContact O-N 2.7Å; S1332-T1336 PolarHBondContact O-N 3.21Å |
| 1333 | T | 88.4 | Confident | 87.7 | Confident | 33 Ų | 33 | 76.2 Ų | 76.2 | 20% | 0.202 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.7 | -39.6 | 173.6 | 34.4 | 0 | 0 | 0 | 0 | 112.6 | S1329 N1330 L1331 I1335 T1336 E1337 R1751 | S1329-T1333 PolarHBondContact O-N 2.96Å; S1329-T1333 PolarHBondContact O-OG1 3.1Å; N1330-T1333 WeakPolarHBondContact CA-OG1 3.46Å; N1330-T1333 PolarHBondContact O-N 3.46Å; N1330-T1333 PolarHBondContact O-OG1 3.36Å; N1330-T1333 VanDerWaalsContact O-OG1 3.08Å; L1331-T1333 PolarHBondContact O-N 2.93Å; T1333-I1335 PolarHBondContact O-N 3.41Å; T1333-T1336 WeakPolarHBondContact CA-OG1 3.46Å; T1333-T1336 PolarHBondContact O-N 3.03Å; T1333-T1336 PolarHBondContact O-OG1 2.78Å; T1333-E1337 WeakPolarHBondContact O-CG 3.43Å; T1333-E1337 PolarHBondContact O-N 3.48Å; T1333-R1751 WeakPolarHBondContact CB-O 3.47Å; T1333-R1751 WeakPolarHBondContact CG2-O 3.42Å; T1333-R1751 PolarHBondContact OG1-O 2.89Å |
| 1334 | R | 90.2 | Very high | 87.9 | Confident | 90 Ų | 90 | 79 Ų | 79 | 34% | 0.34 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -62.8 | -31.6 | 173.9 | -172 | 56.9 | -173.2 | 149.7 | 10.9 | 112.4 | N1330 L1331 E1337 L1338 E1341 | N1330-R1334 PolarHBondContact O-N 3.3Å; L1331-R1334 PolarHBondContact O-N 3.48Å; R1334-E1337 WeakPolarHBondContact CD-OE2 3.47Å; R1334-E1337 IonicContact CZ-OE2 3.41Å; R1334-E1337 IonicContact NE-OE2 2.7Å; R1334-E1337 IonicContact NH1-OE2 3.41Å; R1334-E1337 PolarHBondContact NH1-OE2 3.34Å; R1334-L1338 HydrophobicContact CG-CD1 4.11Å; R1334-L1338 HydrophobicContact CG-CG 4.47Å; R1334-L1338 VanDerWaalsContact NH2-CD2 3.27Å; R1334-L1338 WeakPolarHBondContact O-CB 3.47Å; R1334-L1338 WeakPolarHBondContact O-CD1 3.44Å; R1334-L1338 WeakPolarHBondContact O-CG 3.4Å; R1334-L1338 PolarHBondContact O-N 2.89Å; R1334-E1341 IonicContact NH1-OE2 2.78Å; R1334-E1341 IonicContact NH2-OE2 3.16Å; R1334-E1341 PolarHBondContact NH2-OE2 3.49Å |
| 1335 | I | 87.7 | Confident | 87.5 | Confident | 94 Ų | 94 | 78 Ų | 78 | 48% | 0.482 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -62.5 | -51.4 | 169.4 | -71.7 | 164.2 | 0 | 0 | 0 | 110.2 | L1331 S1332 T1333 E1337 L1338 E1339 | L1331-I1335 VanDerWaalsContact O-CG1 3.31Å; L1331-I1335 WeakPolarHBondContact O-CG1 3.3Å; L1331-I1335 PolarHBondContact O-N 3.07Å; S1332-I1335 PolarHBondContact O-N 2.7Å; T1333-I1335 PolarHBondContact O-N 3.41Å; I1335-E1337 VanDerWaalsContact C-N 3.3Å; I1335-E1337 PolarHBondContact O-N 2.93Å; I1335-L1338 CarbonylContact O-C 3.59Å; I1335-L1338 PolarHBondContact O-N 2.88Å; I1335-L1338 VanDerWaalsContact O-N 3.09Å; I1335-E1339 HydrophobicContact CG2-CG 4.31Å; I1335-E1339 WeakPolarHBondContact O-CG 3.34Å; I1335-E1339 PolarHBondContact O-N 2.92Å |
| 1336 | T | 87.8 | Confident | 87.3 | Confident | 73 Ų | 73 | 76.3 Ų | 76.3 | 45% | 0.448 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -64.4 | -31.5 | 179 | 55.8 | 0 | 0 | 0 | 0 | 113.9 | S1332 T1333 S1340 | S1332-T1336 PolarHBondContact O-N 3.21Å; T1333-T1336 WeakPolarHBondContact CA-OG1 3.46Å; T1333-T1336 PolarHBondContact O-N 3.03Å; T1333-T1336 PolarHBondContact O-OG1 2.78Å; T1336-S1340 PolarHBondContact O-N 3.16Å |
| 1337 | E | 89.8 | Confident | 87 | Confident | 92 Ų | 92 | 79 Ų | 79 | 43% | 0.43 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -62.8 | -49.7 | 170.2 | -72.5 | 168.6 | -161.1 | 0 | 0 | 110.6 | T1333 R1334 I1335 E1339 S1340 E1341 | T1333-E1337 WeakPolarHBondContact O-CG 3.43Å; T1333-E1337 PolarHBondContact O-N 3.48Å; R1334-E1337 WeakPolarHBondContact CD-OE2 3.47Å; R1334-E1337 IonicContact CZ-OE2 3.41Å; R1334-E1337 IonicContact NE-OE2 2.7Å; R1334-E1337 IonicContact NH1-OE2 3.41Å; R1334-E1337 PolarHBondContact NH1-OE2 3.34Å; I1335-E1337 VanDerWaalsContact C-N 3.3Å; I1335-E1337 PolarHBondContact O-N 2.93Å; E1337-E1339 PolarHBondContact O-N 3.26Å; E1337-S1340 CarbonylContact O-C 3.51Å; E1337-S1340 PolarHBondContact O-N 3.25Å; E1337-S1340 VanDerWaalsContact O-N 3.13Å; E1337-S1340 PolarHBondContact O-OG 2.74Å; E1337-E1341 WeakPolarHBondContact O-CB 3.45Å; E1337-E1341 PolarHBondContact O-N 3.32Å |
| 1338 | L | 81.1 | Confident | 86.6 | Confident | 24 Ų | 24 | 76.7 Ų | 76.7 | 13% | 0.126 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -65.2 | -35.1 | 179.4 | -72.9 | 168.9 | 0 | 0 | 0 | 112.8 | R258 R1334 I1335 E1341 I1342 | R258-L1338 VanDerWaalsContact CZ-CD2 3.49Å; R1334-L1338 HydrophobicContact CG-CD1 4.11Å; R1334-L1338 HydrophobicContact CG-CG 4.47Å; R1334-L1338 VanDerWaalsContact NH2-CD2 3.27Å; R1334-L1338 WeakPolarHBondContact O-CB 3.47Å; R1334-L1338 WeakPolarHBondContact O-CD1 3.44Å; R1334-L1338 WeakPolarHBondContact O-CG 3.4Å; R1334-L1338 PolarHBondContact O-N 2.89Å; I1335-L1338 CarbonylContact O-C 3.59Å; I1335-L1338 PolarHBondContact O-N 2.88Å; I1335-L1338 VanDerWaalsContact O-N 3.09Å; L1338-E1341 PolarHBondContact O-N 3.18Å; L1338-I1342 WeakPolarHBondContact O-CB 3.27Å; L1338-I1342 WeakPolarHBondContact O-CD1 3.2Å; L1338-I1342 WeakPolarHBondContact O-CG1 3.35Å; L1338-I1342 PolarHBondContact O-N 3.28Å |
| 1339 | E | 89.2 | Confident | 86.6 | Confident | 113 Ų | 113 | 76.5 Ų | 76.5 | 53% | 0.528 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63 | -42.1 | 171.1 | -71.8 | 169.5 | 161.3 | 0 | 0 | 111 | I1335 E1337 H1343 | I1335-E1339 HydrophobicContact CG2-CG 4.31Å; I1335-E1339 WeakPolarHBondContact O-CG 3.34Å; I1335-E1339 PolarHBondContact O-N 2.92Å; E1337-E1339 PolarHBondContact O-N 3.26Å; E1339-H1343 WeakPolarHBondContact O-CB 3.44Å; E1339-H1343 PolarHBondContact O-N 2.93Å |
| 1340 | S | 85.7 | Confident | 86.4 | Confident | 75 Ų | 75 | 80 Ų | 80 | 52% | 0.524 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -69.4 | -33.4 | 174.7 | 78.3 | 0 | 0 | 0 | 0 | 113 | T1336 E1337 H1343 H1344 | T1336-S1340 PolarHBondContact O-N 3.16Å; E1337-S1340 CarbonylContact O-C 3.51Å; E1337-S1340 PolarHBondContact O-N 3.25Å; E1337-S1340 VanDerWaalsContact O-N 3.13Å; E1337-S1340 PolarHBondContact O-OG 2.74Å; S1340-H1343 PolarHBondContact O-N 2.97Å; S1340-H1344 WeakPolarHBondContact O-CB 3.46Å; S1340-H1344 PolarHBondContact O-N 3.02Å |
| 1341 | E | 91.4 | Very high | 86.3 | Confident | 45 Ų | 45 | 79.7 Ų | 79.7 | 21% | 0.21 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -69.1 | -44.1 | 175.6 | -166.4 | 178.5 | 161 | 0 | 0 | 110.5 | F255 R1334 E1337 L1338 H1344 L1345 | F255-E1341 VanDerWaalsContact CE2-OE1 3.3Å; F255-E1341 WeakPolarHBondContact CE2-OE1 3.48Å; R1334-E1341 IonicContact NH1-OE2 2.78Å; R1334-E1341 IonicContact NH2-OE2 3.16Å; R1334-E1341 PolarHBondContact NH2-OE2 3.49Å; E1337-E1341 WeakPolarHBondContact O-CB 3.45Å; E1337-E1341 PolarHBondContact O-N 3.32Å; L1338-E1341 PolarHBondContact O-N 3.18Å; E1341-H1344 PolarHBondContact O-N 2.97Å; E1341-L1345 HydrophobicContact CG-CD1 4.38Å; E1341-L1345 WeakPolarHBondContact O-CB 3.33Å; E1341-L1345 VanDerWaalsContact O-CG 3.27Å; E1341-L1345 WeakPolarHBondContact O-CG 3.5Å; E1341-L1345 PolarHBondContact O-N 3.43Å |
| 1342 | I | 85.6 | Confident | 85.9 | Confident | 106 Ų | 106 | 80.6 Ų | 80.6 | 54% | 0.544 | 42% | 0.424 | S | S | . | . | H | α-helix | trans | -62.3 | -44.4 | 172.6 | -71.8 | 164 | 0 | 0 | 0 | 110.7 | L1338 H1344 L1345 S1346 | L1338-I1342 WeakPolarHBondContact O-CB 3.27Å; L1338-I1342 WeakPolarHBondContact O-CD1 3.2Å; L1338-I1342 WeakPolarHBondContact O-CG1 3.35Å; L1338-I1342 PolarHBondContact O-N 3.28Å; I1342-H1344 PolarHBondContact O-N 2.61Å; I1342-L1345 PolarHBondContact O-N 2.86Å; I1342-S1346 WeakPolarHBondContact O-CB 3.37Å; I1342-S1346 PolarHBondContact O-N 2.92Å |
| 1343 | H | 88 | Confident | 85.7 | Confident | 120 Ų | 120 | 84.3 Ų | 84.3 | 56% | 0.556 | 44% | 0.437 | S | S | * | . | H | α-helix | trans | -65.6 | -38.9 | 177.1 | -174.3 | 42.5 | 0 | 0 | 0 | 112 | E1339 S1340 S1346 N1347 | E1339-H1343 WeakPolarHBondContact O-CB 3.44Å; E1339-H1343 PolarHBondContact O-N 2.93Å; S1340-H1343 PolarHBondContact O-N 2.97Å; H1343-S1346 PolarHBondContact O-N 2.79Å; H1343-N1347 PolarHBondContact CE1-ND2 3.13Å; H1343-N1347 PolarHBondContact CE1-OD1 2.84Å; H1343-N1347 PolarHBondContact NE2-ND2 3.23Å; H1343-N1347 PolarHBondContact O-N 2.79Å; H1343-N1347 PolarHBondContact O-ND2 2.88Å; H1343-N1347 VanDerWaalsContact O-ND2 3.08Å |
| 1344 | H | 88.9 | Confident | 85.3 | Confident | 120 Ų | 120 | 87.2 Ų | 87.2 | 56% | 0.556 | 46% | 0.455 | S | S | * | . | H | α-helix | trans | -62.6 | -46.1 | 172.5 | 179.9 | 54 | 0 | 0 | 0 | 111.9 | S1340 E1341 I1342 S1346 N1347 V1348 | S1340-H1344 WeakPolarHBondContact O-CB 3.46Å; S1340-H1344 PolarHBondContact O-N 3.02Å; E1341-H1344 PolarHBondContact O-N 2.97Å; I1342-H1344 PolarHBondContact O-N 2.61Å; H1344-S1346 VanDerWaalsContact C-N 3.33Å; H1344-S1346 PolarHBondContact O-N 3.29Å; H1344-N1347 PolarHBondContact O-N 3.21Å; H1344-V1348 WeakPolarHBondContact O-CG2 3.48Å; H1344-V1348 PolarHBondContact O-N 2.82Å |
| 1345 | L | 82.3 | Confident | 84.9 | Confident | 93 Ų | 93 | 86.2 Ų | 86.2 | 49% | 0.487 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -65 | -33.5 | 176.9 | -71.9 | 170.5 | 0 | 0 | 0 | 112.7 | E1341 I1342 V1348 L1349 | E1341-L1345 HydrophobicContact CG-CD1 4.38Å; E1341-L1345 WeakPolarHBondContact O-CB 3.33Å; E1341-L1345 VanDerWaalsContact O-CG 3.27Å; E1341-L1345 WeakPolarHBondContact O-CG 3.5Å; E1341-L1345 PolarHBondContact O-N 3.43Å; I1342-L1345 PolarHBondContact O-N 2.86Å; L1345-V1348 PolarHBondContact O-N 2.82Å; L1345-L1349 WeakPolarHBondContact O-CB 3.48Å; L1345-L1349 PolarHBondContact O-N 3.16Å |
| 1346 | S | 84.7 | Confident | 84.9 | Confident | 52 Ų | 52 | 88.6 Ų | 88.6 | 36% | 0.364 | 47% | 0.469 | S | S | . | . | H | α-helix | trans | -63.4 | -49.9 | 170.2 | -167.7 | 0 | 0 | 0 | 0 | 110.6 | I1342 H1343 H1344 V1348 L1349 D1350 | I1342-S1346 WeakPolarHBondContact O-CB 3.37Å; I1342-S1346 PolarHBondContact O-N 2.92Å; H1343-S1346 PolarHBondContact O-N 2.79Å; H1344-S1346 VanDerWaalsContact C-N 3.33Å; H1344-S1346 PolarHBondContact O-N 3.29Å; S1346-V1348 PolarHBondContact O-N 2.79Å; S1346-L1349 CarbonylContact O-C 3.55Å; S1346-L1349 WeakPolarHBondContact O-CA 3.46Å; S1346-L1349 WeakPolarHBondContact O-CB 3.46Å; S1346-L1349 PolarHBondContact O-N 3.27Å; S1346-D1350 PolarHBondContact O-N 2.81Å; S1346-D1350 VanDerWaalsContact O-OD2 3.12Å |
| 1347 | N | 83 | Confident | 84.3 | Confident | 70 Ų | 70 | 88.5 Ų | 88.5 | 37% | 0.374 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -62 | -31.8 | 177 | -64.7 | -33.9 | 0 | 0 | 0 | 112.2 | H1343 H1344 T1351 | H1343-N1347 PolarHBondContact CE1-ND2 3.13Å; H1343-N1347 PolarHBondContact CE1-OD1 2.84Å; H1343-N1347 PolarHBondContact NE2-ND2 3.23Å; H1343-N1347 PolarHBondContact O-N 2.79Å; H1343-N1347 PolarHBondContact O-ND2 2.88Å; H1343-N1347 VanDerWaalsContact O-ND2 3.08Å; H1344-N1347 PolarHBondContact O-N 3.21Å; N1347-T1351 WeakPolarHBondContact O-CG2 3.39Å; N1347-T1351 PolarHBondContact O-N 3.2Å; N1347-T1351 PolarHBondContact O-OG1 3.49Å |
| 1348 | V | 82.8 | Confident | 84 | Confident | 54 Ų | 54 | 89.1 Ų | 89.1 | 33% | 0.327 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -71.3 | -38.9 | 171.6 | 171.9 | 0 | 0 | 0 | 0 | 111.7 | H1344 L1345 S1346 T1351 M1352 | H1344-V1348 WeakPolarHBondContact O-CG2 3.48Å; H1344-V1348 PolarHBondContact O-N 2.82Å; L1345-V1348 PolarHBondContact O-N 2.82Å; S1346-V1348 PolarHBondContact O-N 2.79Å; V1348-T1351 WeakPolarHBondContact CA-OG1 3.37Å; V1348-T1351 PolarHBondContact O-OG1 3.42Å; V1348-T1351 VanDerWaalsContact O-OG1 3.06Å; V1348-M1352 HydrophobicContact CG1-CG 4.49Å; V1348-M1352 WeakPolarHBondContact O-CB 3.37Å; V1348-M1352 WeakPolarHBondContact O-CG 3.45Å; V1348-M1352 PolarHBondContact O-N 2.81Å |
| 1349 | L | 83.1 | Confident | 84 | Confident | 102 Ų | 102 | 92.6 Ų | 92.6 | 53% | 0.534 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -64.1 | -44.2 | 171.6 | -87.4 | 165.6 | 0 | 0 | 0 | 111.6 | L1345 S1346 M1352 H1353 | L1345-L1349 WeakPolarHBondContact O-CB 3.48Å; L1345-L1349 PolarHBondContact O-N 3.16Å; S1346-L1349 CarbonylContact O-C 3.55Å; S1346-L1349 WeakPolarHBondContact O-CA 3.46Å; S1346-L1349 WeakPolarHBondContact O-CB 3.46Å; S1346-L1349 PolarHBondContact O-N 3.27Å; L1349-M1352 CarbonylContact O-C 3.47Å; L1349-M1352 PolarHBondContact O-N 2.95Å; L1349-H1353 WeakPolarHBondContact O-CB 3.31Å; L1349-H1353 PolarHBondContact O-CD2 3.23Å; L1349-H1353 PolarHBondContact O-N 3.08Å |
| 1350 | D | 84.7 | Confident | 83.6 | Confident | 86 Ų | 86 | 90.2 Ų | 90.2 | 46% | 0.46 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.3 | -44.6 | 177.2 | -69.1 | -44.3 | 0 | 0 | 0 | 111 | S1346 H1353 T1354 | S1346-D1350 PolarHBondContact O-N 2.81Å; S1346-D1350 VanDerWaalsContact O-OD2 3.12Å; D1350-H1353 PolarHBondContact O-N 3.47Å; D1350-T1354 WeakPolarHBondContact O-CG2 3.37Å; D1350-T1354 PolarHBondContact O-N 3.5Å; D1350-T1354 PolarHBondContact O-OG1 2.8Å |
| 1351 | T | 83.7 | Confident | 83.4 | Confident | 83 Ų | 83 | 89 Ų | 89 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -64.8 | -39.3 | 173.5 | 47.7 | 0 | 0 | 0 | 0 | 112.4 | N1347 V1348 H1353 T1354 S1355 | N1347-T1351 WeakPolarHBondContact O-CG2 3.39Å; N1347-T1351 PolarHBondContact O-N 3.2Å; N1347-T1351 PolarHBondContact O-OG1 3.49Å; V1348-T1351 WeakPolarHBondContact CA-OG1 3.37Å; V1348-T1351 PolarHBondContact O-OG1 3.42Å; V1348-T1351 VanDerWaalsContact O-OG1 3.06Å; T1351-H1353 VanDerWaalsContact C-N 3.34Å; T1351-H1353 PolarHBondContact O-N 3.46Å; T1351-T1354 WeakPolarHBondContact CA-OG1 3.32Å; T1351-T1354 PolarHBondContact O-N 3.04Å; T1351-T1354 PolarHBondContact O-OG1 3.4Å; T1351-S1355 WeakPolarHBondContact O-CB 3.33Å; T1351-S1355 PolarHBondContact O-N 2.78Å |
| 1352 | M | 77.8 | Confident | 83.1 | Confident | 126 Ų | 126 | 89.8 Ų | 89.8 | 62% | 0.621 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -63.3 | -36.3 | 171.3 | -75.4 | -69.8 | -167.9 | 0 | 0 | 112.8 | V1348 L1349 S1355 K1356 | V1348-M1352 HydrophobicContact CG1-CG 4.49Å; V1348-M1352 WeakPolarHBondContact O-CB 3.37Å; V1348-M1352 WeakPolarHBondContact O-CG 3.45Å; V1348-M1352 PolarHBondContact O-N 2.81Å; L1349-M1352 CarbonylContact O-C 3.47Å; L1349-M1352 PolarHBondContact O-N 2.95Å; M1352-S1355 PolarHBondContact O-N 3.02Å; M1352-K1356 WeakPolarHBondContact O-CB 3.3Å; M1352-K1356 PolarHBondContact O-N 3.47Å |
| 1353 | H | 84.3 | Confident | 82.9 | Confident | 120 Ų | 120 | 92.2 Ų | 92.2 | 56% | 0.556 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -68.6 | -41.4 | 174.3 | -83.6 | -68.3 | 0 | 0 | 0 | 111.6 | L1349 D1350 T1351 K1356 S1357 | L1349-H1353 WeakPolarHBondContact O-CB 3.31Å; L1349-H1353 PolarHBondContact O-CD2 3.23Å; L1349-H1353 PolarHBondContact O-N 3.08Å; D1350-H1353 PolarHBondContact O-N 3.47Å; T1351-H1353 VanDerWaalsContact C-N 3.34Å; T1351-H1353 PolarHBondContact O-N 3.46Å; H1353-K1356 PolarHBondContact O-N 2.94Å; H1353-S1357 VanDerWaalsContact O-CB 3.31Å; H1353-S1357 WeakPolarHBondContact O-CB 3.35Å; H1353-S1357 PolarHBondContact O-N 2.94Å |
| 1354 | T | 79.6 | Confident | 82.5 | Confident | 93 Ų | 93 | 91.6 Ų | 91.6 | 57% | 0.571 | 48% | 0.481 | S | S | * | . | H | α-helix | trans | -65.1 | -37.5 | 171.7 | 60.8 | 0 | 0 | 0 | 0 | 112.2 | D1350 T1351 S1357 Q1358 | D1350-T1354 WeakPolarHBondContact O-CG2 3.37Å; D1350-T1354 PolarHBondContact O-N 3.5Å; D1350-T1354 PolarHBondContact O-OG1 2.8Å; T1351-T1354 WeakPolarHBondContact CA-OG1 3.32Å; T1351-T1354 PolarHBondContact O-N 3.04Å; T1351-T1354 PolarHBondContact O-OG1 3.4Å; T1354-S1357 PolarHBondContact O-N 3.09Å; T1354-Q1358 WeakPolarHBondContact O-CB 3.46Å; T1354-Q1358 PolarHBondContact O-N 2.85Å |
| 1355 | S | 82.2 | Confident | 82.3 | Confident | 70 Ų | 70 | 91 Ų | 91 | 49% | 0.49 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -65.1 | -45.3 | 175.1 | -176 | 0 | 0 | 0 | 0 | 111.7 | T1351 M1352 S1357 Q1358 L1359 | T1351-S1355 WeakPolarHBondContact O-CB 3.33Å; T1351-S1355 PolarHBondContact O-N 2.78Å; M1352-S1355 PolarHBondContact O-N 3.02Å; S1355-S1357 VanDerWaalsContact C-N 3.34Å; S1355-S1357 PolarHBondContact O-N 3.48Å; S1355-Q1358 PolarHBondContact O-N 2.92Å; S1355-L1359 WeakPolarHBondContact O-CB 3.26Å; S1355-L1359 PolarHBondContact O-N 3.18Å |
| 1356 | K | 86.5 | Confident | 82.7 | Confident | 144 Ų | 144 | 90.4 Ų | 90.4 | 63% | 0.626 | 48% | 0.475 | S | S | * | . | H | α-helix | trans | -61.8 | -41.4 | 172.2 | -177.9 | 179.5 | 177.2 | -179.3 | 0 | 111.6 | M1352 H1353 L1359 T1360 | M1352-K1356 WeakPolarHBondContact O-CB 3.3Å; M1352-K1356 PolarHBondContact O-N 3.47Å; H1353-K1356 PolarHBondContact O-N 2.94Å; K1356-L1359 PolarHBondContact O-N 2.98Å; K1356-T1360 WeakPolarHBondContact O-CB 3.46Å; K1356-T1360 PolarHBondContact O-N 3.37Å; K1356-T1360 PolarHBondContact O-OG1 2.89Å |
| 1357 | S | 75.8 | Confident | 82.6 | Confident | 71 Ų | 71 | 94.3 Ų | 94.3 | 50% | 0.497 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.3 | -44.4 | 177.4 | -164 | 0 | 0 | 0 | 0 | 111.2 | H1353 T1354 S1355 T1360 T1361 | H1353-S1357 VanDerWaalsContact O-CB 3.31Å; H1353-S1357 WeakPolarHBondContact O-CB 3.35Å; H1353-S1357 PolarHBondContact O-N 2.94Å; T1354-S1357 PolarHBondContact O-N 3.09Å; S1355-S1357 VanDerWaalsContact C-N 3.34Å; S1355-S1357 PolarHBondContact O-N 3.48Å; S1357-T1360 WeakPolarHBondContact O-CB 3.43Å; S1357-T1360 PolarHBondContact O-N 2.93Å; S1357-T1361 PolarHBondContact O-N 3.32Å; S1357-T1361 PolarHBondContact O-OG1 3.38Å |
| 1358 | Q | 83.5 | Confident | 82.3 | Confident | 105 Ų | 105 | 95 Ų | 95 | 49% | 0.491 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -60.6 | -49.6 | 175.1 | -174.1 | 63 | 59.4 | 0 | 0 | 110.5 | T1354 S1355 T1360 T1361 D1362 | T1354-Q1358 WeakPolarHBondContact O-CB 3.46Å; T1354-Q1358 PolarHBondContact O-N 2.85Å; S1355-Q1358 PolarHBondContact O-N 2.92Å; Q1358-T1360 PolarHBondContact O-N 3.45Å; Q1358-T1361 WeakPolarHBondContact CA-OG1 3.3Å; Q1358-T1361 PolarHBondContact NE2-OG1 2.73Å; Q1358-T1361 CarbonylContact O-C 3.56Å; Q1358-T1361 PolarHBondContact O-N 2.88Å; Q1358-T1361 VanDerWaalsContact O-N 3.1Å; Q1358-T1361 PolarHBondContact O-OG1 2.84Å; Q1358-D1362 PolarHBondContact NE2-OD1 2.91Å; Q1358-D1362 WeakPolarHBondContact O-CB 3.42Å; Q1358-D1362 PolarHBondContact O-N 3Å |
| 1359 | L | 81.2 | Confident | 82.4 | Confident | 97 Ų | 97 | 97.9 Ų | 97.9 | 51% | 0.508 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -60.4 | -34.3 | 176.9 | -167.4 | 72.1 | 0 | 0 | 0 | 112.1 | S1355 K1356 D1362 Y1363 | S1355-L1359 WeakPolarHBondContact O-CB 3.26Å; S1355-L1359 PolarHBondContact O-N 3.18Å; K1356-L1359 PolarHBondContact O-N 2.98Å; L1359-D1362 PolarHBondContact O-N 3.37Å; L1359-Y1363 HydrophobicContact CD1-CE2 4.42Å; L1359-Y1363 HydrophobicContact CD2-CE2 4.13Å; L1359-Y1363 HydrophobicContact CG-CD2 4.1Å; L1359-Y1363 HydrophobicContact CG-CE2 3.88Å; L1359-Y1363 WeakPolarHBondContact O-CD2 3.29Å; L1359-Y1363 PolarHBondContact O-N 2.7Å |
| 1360 | T | 81 | Confident | 82.4 | Confident | 62 Ų | 62 | 98.2 Ų | 98.2 | 38% | 0.38 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -66.9 | -47.2 | 173.7 | -51.6 | 0 | 0 | 0 | 0 | 110.7 | K1356 S1357 Q1358 D1362 Y1363 E1364 | K1356-T1360 WeakPolarHBondContact O-CB 3.46Å; K1356-T1360 PolarHBondContact O-N 3.37Å; K1356-T1360 PolarHBondContact O-OG1 2.89Å; S1357-T1360 WeakPolarHBondContact O-CB 3.43Å; S1357-T1360 PolarHBondContact O-N 2.93Å; Q1358-T1360 PolarHBondContact O-N 3.45Å; T1360-D1362 PolarHBondContact O-N 3.13Å; T1360-Y1363 PolarHBondContact O-N 3.01Å; T1360-E1364 WeakPolarHBondContact O-CG 3.02Å; T1360-E1364 PolarHBondContact O-N 3.03Å |
| 1361 | T | 80.8 | Confident | 82.2 | Confident | 49 Ų | 49 | 99.1 Ų | 99.1 | 30% | 0.301 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -66.3 | -25.7 | 174.5 | 53.7 | 0 | 0 | 0 | 0 | 113 | S1357 Q1358 Q1365 | S1357-T1361 PolarHBondContact O-N 3.32Å; S1357-T1361 PolarHBondContact O-OG1 3.38Å; Q1358-T1361 WeakPolarHBondContact CA-OG1 3.3Å; Q1358-T1361 PolarHBondContact NE2-OG1 2.73Å; Q1358-T1361 CarbonylContact O-C 3.56Å; Q1358-T1361 PolarHBondContact O-N 2.88Å; Q1358-T1361 VanDerWaalsContact O-N 3.1Å; Q1358-T1361 PolarHBondContact O-OG1 2.84Å; T1361-Q1365 WeakPolarHBondContact O-CB 3.32Å; T1361-Q1365 WeakPolarHBondContact O-CG 3.31Å; T1361-Q1365 PolarHBondContact O-N 3.09Å; T1361-Q1365 PolarHBondContact O-NE2 3.19Å |
| 1362 | D | 85.2 | Confident | 82.3 | Confident | 63 Ų | 63 | 99.3 Ų | 99.3 | 34% | 0.337 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -77.2 | -35.2 | 175.3 | -63.9 | -14.8 | 0 | 0 | 0 | 110.8 | Q1358 L1359 T1360 Q1365 L1366 | Q1358-D1362 PolarHBondContact NE2-OD1 2.91Å; Q1358-D1362 WeakPolarHBondContact O-CB 3.42Å; Q1358-D1362 PolarHBondContact O-N 3Å; L1359-D1362 PolarHBondContact O-N 3.37Å; T1360-D1362 PolarHBondContact O-N 3.13Å; D1362-Q1365 PolarHBondContact OD1-NE2 3.39Å; D1362-Q1365 VanDerWaalsContact OD1-NE2 3.15Å; D1362-L1366 VanDerWaalsContact O-CB 3.23Å; D1362-L1366 WeakPolarHBondContact O-CB 3.17Å; D1362-L1366 PolarHBondContact O-N 3.39Å |
| 1363 | Y | 81.3 | Confident | 82.5 | Confident | 157 Ų | 157 | 97 Ų | 97 | 62% | 0.616 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -65.4 | -41.3 | 167.4 | -85.2 | -62.9 | 0 | 0 | 0 | 111.9 | L1359 T1360 L1366 Q1367 | L1359-Y1363 HydrophobicContact CD1-CE2 4.42Å; L1359-Y1363 HydrophobicContact CD2-CE2 4.13Å; L1359-Y1363 HydrophobicContact CG-CD2 4.1Å; L1359-Y1363 HydrophobicContact CG-CE2 3.88Å; L1359-Y1363 WeakPolarHBondContact O-CD2 3.29Å; L1359-Y1363 PolarHBondContact O-N 2.7Å; T1360-Y1363 PolarHBondContact O-N 3.01Å; Y1363-L1366 PolarHBondContact O-N 2.95Å; Y1363-Q1367 WeakPolarHBondContact O-CB 3.36Å; Y1363-Q1367 PolarHBondContact O-N 2.8Å |
| 1364 | E | 79.8 | Confident | 82.6 | Confident | 107 Ų | 107 | 94.9 Ų | 94.9 | 50% | 0.5 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -63.1 | -45.7 | 174 | -71.4 | 167.9 | 176 | 0 | 0 | 111.1 | T1360 L1366 Q1367 C1368 | T1360-E1364 WeakPolarHBondContact O-CG 3.02Å; T1360-E1364 PolarHBondContact O-N 3.03Å; E1364-L1366 PolarHBondContact O-N 2.79Å; E1364-Q1367 PolarHBondContact O-N 2.88Å; E1364-C1368 WeakPolarHBondContact O-CB 3.04Å; E1364-C1368 PolarHBondContact O-N 3.32Å; E1364-C1368 PolarHBondContact O-SG 2.85Å; E1364-C1368 VanDerWaalsContact O-SG 3.33Å |
| 1365 | Q | 85.6 | Confident | 82.9 | Confident | 107 Ų | 107 | 94 Ų | 94 | 50% | 0.5 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -60.5 | -43.4 | 173.2 | -78.2 | 166.1 | 83.6 | 0 | 0 | 112.1 | T1361 D1362 C1368 L1369 | T1361-Q1365 WeakPolarHBondContact O-CB 3.32Å; T1361-Q1365 WeakPolarHBondContact O-CG 3.31Å; T1361-Q1365 PolarHBondContact O-N 3.09Å; T1361-Q1365 PolarHBondContact O-NE2 3.19Å; D1362-Q1365 PolarHBondContact OD1-NE2 3.39Å; D1362-Q1365 VanDerWaalsContact OD1-NE2 3.15Å; Q1365-C1368 CarbonylContact O-C 3.56Å; Q1365-C1368 PolarHBondContact O-N 3.25Å; Q1365-L1369 WeakPolarHBondContact O-CB 3.44Å; Q1365-L1369 WeakPolarHBondContact O-CG 3.42Å; Q1365-L1369 PolarHBondContact O-N 3.48Å |
| 1366 | L | 90.4 | Very high | 83 | Confident | 81 Ų | 81 | 93.7 Ų | 93.7 | 42% | 0.424 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -66.4 | -37.7 | 177.3 | -178.2 | 60 | 0 | 0 | 0 | 111.6 | D1362 Y1363 E1364 L1369 H1370 | D1362-L1366 VanDerWaalsContact O-CB 3.23Å; D1362-L1366 WeakPolarHBondContact O-CB 3.17Å; D1362-L1366 PolarHBondContact O-N 3.39Å; Y1363-L1366 PolarHBondContact O-N 2.95Å; E1364-L1366 PolarHBondContact O-N 2.79Å; L1366-L1369 PolarHBondContact O-N 3.02Å; L1366-H1370 PolarHBondContact O-CD2 3.49Å; L1366-H1370 PolarHBondContact O-N 2.91Å |
| 1367 | Q | 81.9 | Confident | 83 | Confident | 133 Ų | 133 | 93.2 Ų | 93.2 | 62% | 0.621 | 47% | 0.467 | S | S | * | . | H | α-helix | trans | -64.7 | -43.9 | 171.9 | -175.8 | 172.8 | -12.9 | 0 | 0 | 110.8 | Y1363 E1364 L1369 H1370 E1371 | Y1363-Q1367 WeakPolarHBondContact O-CB 3.36Å; Y1363-Q1367 PolarHBondContact O-N 2.8Å; E1364-Q1367 PolarHBondContact O-N 2.88Å; Q1367-L1369 VanDerWaalsContact C-N 3.28Å; Q1367-L1369 PolarHBondContact O-N 3.4Å; Q1367-H1370 PolarHBondContact O-N 3.02Å; Q1367-E1371 VanDerWaalsContact O-CB 3.25Å; Q1367-E1371 WeakPolarHBondContact O-CB 3.41Å; Q1367-E1371 PolarHBondContact O-N 3.44Å |
| 1368 | C | 77 | Confident | 83.4 | Confident | 86 Ų | 86 | 96 Ų | 96 | 58% | 0.581 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -62.3 | -32.4 | 172.6 | -71.1 | 0 | 0 | 0 | 0 | 112.8 | E1364 Q1365 K1372 | E1364-C1368 WeakPolarHBondContact O-CB 3.04Å; E1364-C1368 PolarHBondContact O-N 3.32Å; E1364-C1368 PolarHBondContact O-SG 2.85Å; E1364-C1368 VanDerWaalsContact O-SG 3.33Å; Q1365-C1368 CarbonylContact O-C 3.56Å; Q1365-C1368 PolarHBondContact O-N 3.25Å; C1368-K1372 WeakPolarHBondContact O-CB 3.3Å; C1368-K1372 PolarHBondContact O-N 2.91Å |
| 1369 | L | 84.1 | Confident | 83.3 | Confident | 113 Ų | 113 | 96 Ų | 96 | 59% | 0.592 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -72.3 | -36 | 172.9 | -74.1 | 169.8 | 0 | 0 | 0 | 112.2 | Q1365 L1366 Q1367 L1373 | Q1365-L1369 WeakPolarHBondContact O-CB 3.44Å; Q1365-L1369 WeakPolarHBondContact O-CG 3.42Å; Q1365-L1369 PolarHBondContact O-N 3.48Å; L1366-L1369 PolarHBondContact O-N 3.02Å; Q1367-L1369 VanDerWaalsContact C-N 3.28Å; Q1367-L1369 PolarHBondContact O-N 3.4Å; L1369-L1373 WeakPolarHBondContact O-CB 3.33Å; L1369-L1373 PolarHBondContact O-N 2.96Å |
| 1370 | H | 84.5 | Confident | 83.5 | Confident | 109 Ų | 109 | 96.6 Ų | 96.6 | 51% | 0.505 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -70.9 | -40.1 | 172.6 | -76.6 | -58.1 | 0 | 0 | 0 | 112.6 | L1366 Q1367 L1373 T1374 | L1366-H1370 PolarHBondContact O-CD2 3.49Å; L1366-H1370 PolarHBondContact O-N 2.91Å; Q1367-H1370 PolarHBondContact O-N 3.02Å; H1370-L1373 PolarHBondContact O-N 2.84Å; H1370-T1374 WeakPolarHBondContact O-CB 3.36Å; H1370-T1374 PolarHBondContact O-N 3.34Å; H1370-T1374 PolarHBondContact O-OG1 3.43Å |
| 1371 | E | 79.6 | Confident | 83.8 | Confident | 106 Ų | 106 | 98 Ų | 98 | 50% | 0.495 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -57.9 | -51 | 170.1 | -174.8 | 74.2 | -135.8 | 0 | 0 | 109.6 | Q1367 T1374 Q1375 | Q1367-E1371 VanDerWaalsContact O-CB 3.25Å; Q1367-E1371 WeakPolarHBondContact O-CB 3.41Å; Q1367-E1371 PolarHBondContact O-N 3.44Å; E1371-T1374 WeakPolarHBondContact O-CB 3.43Å; E1371-T1374 PolarHBondContact O-N 3.29Å; E1371-Q1375 VanDerWaalsContact O-CG 3.31Å; E1371-Q1375 WeakPolarHBondContact O-CG 3.35Å; E1371-Q1375 PolarHBondContact O-N 3.1Å; E1371-Q1375 PolarHBondContact OE1-NE2 2.92Å |
| 1372 | K | 85.7 | Confident | 84.1 | Confident | 87 Ų | 87 | 99.8 Ų | 99.8 | 38% | 0.378 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -64.6 | -41.2 | 178.2 | -179.5 | 53.7 | -179.3 | 155.5 | 0 | 112.8 | C1368 T1374 Q1375 D1376 | C1368-K1372 WeakPolarHBondContact O-CB 3.3Å; C1368-K1372 PolarHBondContact O-N 2.91Å; K1372-T1374 VanDerWaalsContact C-N 3.32Å; K1372-T1374 PolarHBondContact O-N 3.37Å; K1372-Q1375 CarbonylContact O-C 3.57Å; K1372-Q1375 PolarHBondContact O-N 3.21Å; K1372-D1376 VanDerWaalsContact CE-OD1 3.31Å; K1372-D1376 WeakPolarHBondContact CE-OD1 3.13Å; K1372-D1376 VanDerWaalsContact CE-OD2 3.25Å; K1372-D1376 WeakPolarHBondContact CE-OD2 3.08Å; K1372-D1376 IonicContact NZ-OD1 2.76Å; K1372-D1376 PolarHBondContact NZ-OD1 3Å; K1372-D1376 IonicContact NZ-OD2 2.71Å; K1372-D1376 WeakPolarHBondContact O-CB 3.46Å; K1372-D1376 PolarHBondContact O-N 3.36Å |
| 1373 | L | 82.2 | Confident | 83.7 | Confident | 77 Ų | 77 | 100.5 Ų | 100.5 | 40% | 0.403 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -65.2 | -36.3 | 175 | -179.5 | 62.2 | 0 | 0 | 0 | 111.7 | L1369 H1370 D1376 Y1377 | L1369-L1373 WeakPolarHBondContact O-CB 3.33Å; L1369-L1373 PolarHBondContact O-N 2.96Å; H1370-L1373 PolarHBondContact O-N 2.84Å; L1373-D1376 PolarHBondContact O-N 3.22Å; L1373-Y1377 HydrophobicContact CD1-CD2 4.25Å; L1373-Y1377 HydrophobicContact CD1-CE2 3.74Å; L1373-Y1377 HydrophobicContact CD2-CE2 4.03Å; L1373-Y1377 HydrophobicContact CG-CD2 4.02Å; L1373-Y1377 HydrophobicContact CG-CE2 3.57Å; L1373-Y1377 WeakPolarHBondContact O-CD2 3.29Å; L1373-Y1377 PolarHBondContact O-N 2.99Å |
| 1374 | T | 86.6 | Confident | 83.7 | Confident | 75 Ų | 75 | 97.1 Ų | 97.1 | 46% | 0.46 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -65.5 | -48 | 173.3 | -56.8 | 0 | 0 | 0 | 0 | 110.4 | H1370 E1371 K1372 D1376 Y1377 E1378 | H1370-T1374 WeakPolarHBondContact O-CB 3.36Å; H1370-T1374 PolarHBondContact O-N 3.34Å; H1370-T1374 PolarHBondContact O-OG1 3.43Å; E1371-T1374 WeakPolarHBondContact O-CB 3.43Å; E1371-T1374 PolarHBondContact O-N 3.29Å; K1372-T1374 VanDerWaalsContact C-N 3.32Å; K1372-T1374 PolarHBondContact O-N 3.37Å; T1374-D1376 VanDerWaalsContact C-N 3.27Å; T1374-D1376 PolarHBondContact O-N 3Å; T1374-Y1377 PolarHBondContact O-N 2.81Å; T1374-Y1377 VanDerWaalsContact O-N 3.17Å; T1374-E1378 WeakPolarHBondContact O-CG 3.29Å; T1374-E1378 PolarHBondContact O-N 2.89Å |
| 1375 | Q | 85.7 | Confident | 83.9 | Confident | 74 Ų | 74 | 97.5 Ų | 97.5 | 35% | 0.346 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -59.5 | -36.2 | 173.4 | -70 | 172.4 | 17 | 0 | 0 | 112.3 | E1371 K1372 E1378 Q1379 | E1371-Q1375 VanDerWaalsContact O-CG 3.31Å; E1371-Q1375 WeakPolarHBondContact O-CG 3.35Å; E1371-Q1375 PolarHBondContact O-N 3.1Å; E1371-Q1375 PolarHBondContact OE1-NE2 2.92Å; K1372-Q1375 CarbonylContact O-C 3.57Å; K1372-Q1375 PolarHBondContact O-N 3.21Å; Q1375-E1378 PolarHBondContact O-N 3.27Å; Q1375-Q1379 VanDerWaalsContact O-CB 3.23Å; Q1375-Q1379 WeakPolarHBondContact O-CB 3.4Å; Q1375-Q1379 WeakPolarHBondContact O-CG 3.43Å; Q1375-Q1379 PolarHBondContact O-N 2.99Å |
| 1376 | D | 85.3 | Confident | 83.7 | Confident | 65 Ų | 65 | 96 Ų | 96 | 35% | 0.348 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.6 | -32.6 | 177 | -73 | -20.2 | 0 | 0 | 0 | 112 | K1372 L1373 T1374 L1380 | K1372-D1376 VanDerWaalsContact CE-OD1 3.31Å; K1372-D1376 WeakPolarHBondContact CE-OD1 3.13Å; K1372-D1376 VanDerWaalsContact CE-OD2 3.25Å; K1372-D1376 WeakPolarHBondContact CE-OD2 3.08Å; K1372-D1376 IonicContact NZ-OD1 2.76Å; K1372-D1376 PolarHBondContact NZ-OD1 3Å; K1372-D1376 IonicContact NZ-OD2 2.71Å; K1372-D1376 WeakPolarHBondContact O-CB 3.46Å; K1372-D1376 PolarHBondContact O-N 3.36Å; L1373-D1376 PolarHBondContact O-N 3.22Å; T1374-D1376 VanDerWaalsContact C-N 3.27Å; T1374-D1376 PolarHBondContact O-N 3Å; D1376-L1380 WeakPolarHBondContact O-CB 3.34Å; D1376-L1380 PolarHBondContact O-N 2.68Å |
| 1377 | Y | 86.2 | Confident | 82.8 | Confident | 134 Ų | 134 | 94.4 Ų | 94.4 | 53% | 0.525 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.4 | -40.3 | 168.1 | -73.6 | -47.7 | 0 | 0 | 0 | 112.4 | L1373 T1374 L1380 I1381 | L1373-Y1377 HydrophobicContact CD1-CD2 4.25Å; L1373-Y1377 HydrophobicContact CD1-CE2 3.74Å; L1373-Y1377 HydrophobicContact CD2-CE2 4.03Å; L1373-Y1377 HydrophobicContact CG-CD2 4.02Å; L1373-Y1377 HydrophobicContact CG-CE2 3.57Å; L1373-Y1377 WeakPolarHBondContact O-CD2 3.29Å; L1373-Y1377 PolarHBondContact O-N 2.99Å; T1374-Y1377 PolarHBondContact O-N 2.81Å; T1374-Y1377 VanDerWaalsContact O-N 3.17Å; Y1377-L1380 PolarHBondContact O-N 3.43Å; Y1377-I1381 WeakPolarHBondContact O-CB 3.22Å; Y1377-I1381 VanDerWaalsContact O-CG1 3.24Å; Y1377-I1381 WeakPolarHBondContact O-CG1 3.16Å; Y1377-I1381 PolarHBondContact O-N 3.43Å |
| 1378 | E | 84.7 | Confident | 82.8 | Confident | 128 Ų | 128 | 93.3 Ų | 93.3 | 60% | 0.598 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -65.7 | -42.3 | 174.3 | -72.3 | -169.4 | 158.6 | 0 | 0 | 111.5 | T1374 Q1375 I1381 E1382 | T1374-E1378 WeakPolarHBondContact O-CG 3.29Å; T1374-E1378 PolarHBondContact O-N 2.89Å; Q1375-E1378 PolarHBondContact O-N 3.27Å; E1378-I1381 PolarHBondContact O-N 3.44Å; E1378-E1382 WeakPolarHBondContact O-CB 3.49Å; E1378-E1382 PolarHBondContact O-N 3.28Å |
| 1379 | Q | 81.3 | Confident | 82.7 | Confident | 105 Ų | 105 | 93.9 Ų | 93.9 | 49% | 0.491 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -65.1 | -36.4 | 172 | -73.8 | 172.3 | 42.2 | 0 | 0 | 111.5 | Q1375 E1382 T1383 | Q1375-Q1379 VanDerWaalsContact O-CB 3.23Å; Q1375-Q1379 WeakPolarHBondContact O-CB 3.4Å; Q1375-Q1379 WeakPolarHBondContact O-CG 3.43Å; Q1375-Q1379 PolarHBondContact O-N 2.99Å; Q1379-E1382 PolarHBondContact O-N 3.13Å; Q1379-T1383 VanDerWaalsContact O-CB 3.24Å; Q1379-T1383 WeakPolarHBondContact O-CB 3.45Å; Q1379-T1383 VanDerWaalsContact O-CG2 3.23Å; Q1379-T1383 WeakPolarHBondContact O-CG2 3.37Å; Q1379-T1383 PolarHBondContact O-N 3.02Å; Q1379-T1383 PolarHBondContact O-OG1 2.94Å |
| 1380 | L | 85.4 | Confident | 82.1 | Confident | 110 Ų | 110 | 90.8 Ų | 90.8 | 58% | 0.576 | 45% | 0.452 | S | S | * | . | H | α-helix | trans | -68.5 | -35.8 | 173.5 | -173.9 | 61.9 | 0 | 0 | 0 | 111.7 | D1376 Y1377 T1383 L1384 | D1376-L1380 WeakPolarHBondContact O-CB 3.34Å; D1376-L1380 PolarHBondContact O-N 2.68Å; Y1377-L1380 PolarHBondContact O-N 3.43Å; L1380-T1383 WeakPolarHBondContact CA-OG1 3.48Å; L1380-T1383 PolarHBondContact O-OG1 3.22Å; L1380-L1384 WeakPolarHBondContact O-CB 3.46Å; L1380-L1384 PolarHBondContact O-N 3.35Å |
| 1381 | I | 87.3 | Confident | 81.6 | Confident | 92 Ų | 92 | 90.2 Ų | 90.2 | 47% | 0.472 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -70.3 | -42.2 | 174.8 | -74.6 | 164.8 | 0 | 0 | 0 | 111 | Y1377 E1378 L1384 K1385 | Y1377-I1381 WeakPolarHBondContact O-CB 3.22Å; Y1377-I1381 VanDerWaalsContact O-CG1 3.24Å; Y1377-I1381 WeakPolarHBondContact O-CG1 3.16Å; Y1377-I1381 PolarHBondContact O-N 3.43Å; E1378-I1381 PolarHBondContact O-N 3.44Å; I1381-L1384 CarbonylContact O-C 3.51Å; I1381-L1384 PolarHBondContact O-N 2.91Å; I1381-K1385 WeakPolarHBondContact O-CG 3.39Å; I1381-K1385 PolarHBondContact O-N 3Å |
| 1382 | E | 85.9 | Confident | 81.5 | Confident | 87 Ų | 87 | 92.7 Ų | 92.7 | 41% | 0.407 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -76.3 | -36.9 | 180 | -162.2 | 56.1 | -129.7 | 0 | 0 | 111.9 | E1378 Q1379 L1384 K1385 T1386 | E1378-E1382 WeakPolarHBondContact O-CB 3.49Å; E1378-E1382 PolarHBondContact O-N 3.28Å; Q1379-E1382 PolarHBondContact O-N 3.13Å; E1382-L1384 VanDerWaalsContact C-N 3.29Å; E1382-L1384 PolarHBondContact O-N 3.26Å; E1382-K1385 PolarHBondContact O-N 3.48Å; E1382-K1385 WeakPolarHBondContact OE2-CD 3.35Å; E1382-K1385 WeakPolarHBondContact OE2-CE 3.41Å; E1382-K1385 IonicContact OE2-NZ 3.2Å; E1382-K1385 PolarHBondContact OE2-NZ 3.14Å; E1382-T1386 WeakPolarHBondContact O-CB 3.47Å; E1382-T1386 WeakPolarHBondContact O-CG2 3.39Å; E1382-T1386 PolarHBondContact O-N 2.92Å; E1382-T1386 PolarHBondContact O-OG1 3.18Å |
| 1383 | T | 78 | Confident | 80.9 | Confident | 77 Ų | 77 | 93.6 Ų | 93.6 | 47% | 0.472 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -65 | -31.7 | 165.9 | 56.6 | 0 | 0 | 0 | 0 | 111.4 | Q1379 L1380 T1386 S1387 | Q1379-T1383 VanDerWaalsContact O-CB 3.24Å; Q1379-T1383 WeakPolarHBondContact O-CB 3.45Å; Q1379-T1383 VanDerWaalsContact O-CG2 3.23Å; Q1379-T1383 WeakPolarHBondContact O-CG2 3.37Å; Q1379-T1383 PolarHBondContact O-N 3.02Å; Q1379-T1383 PolarHBondContact O-OG1 2.94Å; L1380-T1383 WeakPolarHBondContact CA-OG1 3.48Å; L1380-T1383 PolarHBondContact O-OG1 3.22Å; T1383-T1386 WeakPolarHBondContact CA-OG1 3.47Å; T1383-T1386 PolarHBondContact O-OG1 3.47Å; T1383-S1387 WeakPolarHBondContact O-CA 3.43Å; T1383-S1387 WeakPolarHBondContact O-CB 3.22Å; T1383-S1387 PolarHBondContact O-N 2.94Å |
| 1384 | L | 80.7 | Confident | 80.1 | Confident | 87 Ų | 87 | 93.9 Ų | 93.9 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -71.3 | -36 | 171.2 | -174.8 | 68.3 | 0 | 0 | 0 | 112.7 | L1380 I1381 E1382 K1388 | L1380-L1384 WeakPolarHBondContact O-CB 3.46Å; L1380-L1384 PolarHBondContact O-N 3.35Å; I1381-L1384 CarbonylContact O-C 3.51Å; I1381-L1384 PolarHBondContact O-N 2.91Å; E1382-L1384 VanDerWaalsContact C-N 3.29Å; E1382-L1384 PolarHBondContact O-N 3.26Å; L1384-K1388 HydrophobicContact CD1-CD 4.47Å; L1384-K1388 HydrophobicContact CG-CD 4.24Å; L1384-K1388 VanDerWaalsContact O-CB 3.29Å; L1384-K1388 WeakPolarHBondContact O-CB 3.24Å; L1384-K1388 VanDerWaalsContact O-CG 3.23Å; L1384-K1388 WeakPolarHBondContact O-CG 3.5Å; L1384-K1388 PolarHBondContact O-N 3.44Å |
| 1385 | K | 83.9 | Confident | 79.6 | Confident | 114 Ų | 114 | 96.9 Ų | 96.9 | 50% | 0.496 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -66.2 | -54.8 | 173.1 | -74.6 | -179.1 | -141.3 | 152.2 | 0 | 110.5 | I1381 E1382 S1387 K1388 E1389 | I1381-K1385 WeakPolarHBondContact O-CG 3.39Å; I1381-K1385 PolarHBondContact O-N 3Å; E1382-K1385 PolarHBondContact O-N 3.48Å; E1382-K1385 WeakPolarHBondContact OE2-CD 3.35Å; E1382-K1385 WeakPolarHBondContact OE2-CE 3.41Å; E1382-K1385 IonicContact OE2-NZ 3.2Å; E1382-K1385 PolarHBondContact OE2-NZ 3.14Å; K1385-S1387 VanDerWaalsContact C-N 3.28Å; K1385-S1387 PolarHBondContact O-N 3.5Å; K1385-K1388 CarbonylContact O-C 3.52Å; K1385-K1388 PolarHBondContact O-N 3.23Å; K1385-K1388 VanDerWaalsContact O-N 3.09Å; K1385-E1389 PolarHBondContact O-N 3.28Å |
| 1386 | T | 81 | Confident | 78.9 | Confident | 75 Ų | 75 | 96 Ų | 96 | 46% | 0.46 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.8 | -24.6 | 178.3 | 56.5 | 0 | 0 | 0 | 0 | 112.7 | E1382 T1383 S1390 | E1382-T1386 WeakPolarHBondContact O-CB 3.47Å; E1382-T1386 WeakPolarHBondContact O-CG2 3.39Å; E1382-T1386 PolarHBondContact O-N 2.92Å; E1382-T1386 PolarHBondContact O-OG1 3.18Å; T1383-T1386 WeakPolarHBondContact CA-OG1 3.47Å; T1383-T1386 PolarHBondContact O-OG1 3.47Å; T1386-S1390 WeakPolarHBondContact O-CA 3.41Å; T1386-S1390 WeakPolarHBondContact O-CB 3.25Å; T1386-S1390 PolarHBondContact O-N 3.22Å; T1386-S1390 PolarHBondContact O-OG 3.37Å |
| 1387 | S | 72.2 | Confident | 78.2 | Confident | 48 Ų | 48 | 96.9 Ų | 96.9 | 34% | 0.336 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -76.9 | -32.4 | 168.3 | -178.5 | 0 | 0 | 0 | 0 | 112.4 | T1383 K1385 S1390 Q1391 | T1383-S1387 WeakPolarHBondContact O-CA 3.43Å; T1383-S1387 WeakPolarHBondContact O-CB 3.22Å; T1383-S1387 PolarHBondContact O-N 2.94Å; K1385-S1387 VanDerWaalsContact C-N 3.28Å; K1385-S1387 PolarHBondContact O-N 3.5Å; S1387-S1390 WeakPolarHBondContact CA-OG 3.22Å; S1387-S1390 PolarHBondContact O-OG 2.85Å; S1387-Q1391 WeakPolarHBondContact O-CA 3.36Å; S1387-Q1391 WeakPolarHBondContact O-CB 3.46Å; S1387-Q1391 WeakPolarHBondContact O-CG 3.23Å; S1387-Q1391 PolarHBondContact O-N 2.87Å |
| 1388 | K | 81 | Confident | 77.5 | Confident | 110 Ų | 110 | 95 Ų | 95 | 48% | 0.478 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -71.9 | -38.1 | 170.3 | -79.1 | 169.6 | -179.5 | 169.9 | 0 | 111.8 | L1384 K1385 Q1391 R1392 | L1384-K1388 HydrophobicContact CD1-CD 4.47Å; L1384-K1388 HydrophobicContact CG-CD 4.24Å; L1384-K1388 VanDerWaalsContact O-CB 3.29Å; L1384-K1388 WeakPolarHBondContact O-CB 3.24Å; L1384-K1388 VanDerWaalsContact O-CG 3.23Å; L1384-K1388 WeakPolarHBondContact O-CG 3.5Å; L1384-K1388 PolarHBondContact O-N 3.44Å; K1385-K1388 CarbonylContact O-C 3.52Å; K1385-K1388 PolarHBondContact O-N 3.23Å; K1385-K1388 VanDerWaalsContact O-N 3.09Å; K1388-Q1391 PolarHBondContact O-N 2.83Å; K1388-R1392 VanDerWaalsContact O-CG 3.29Å; K1388-R1392 WeakPolarHBondContact O-CG 3.31Å; K1388-R1392 PolarHBondContact O-N 3.08Å |
| 1389 | E | 75 | Confident | 77 | Confident | 99 Ų | 99 | 94.9 Ų | 94.9 | 46% | 0.463 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -73.9 | -41.8 | 175.7 | -155.8 | 58.7 | -145.7 | 0 | 0 | 111.1 | K1385 Q1391 R1392 Q1393 | K1385-E1389 PolarHBondContact O-N 3.28Å; E1389-Q1391 VanDerWaalsContact C-N 3.28Å; E1389-Q1391 PolarHBondContact O-N 2.95Å; E1389-R1392 CarbonylContact O-C 3.41Å; E1389-R1392 WeakPolarHBondContact O-CA 3.39Å; E1389-R1392 WeakPolarHBondContact O-CB 3.41Å; E1389-R1392 PolarHBondContact O-N 3.4Å; E1389-R1392 VanDerWaalsContact OE2-CD 3.23Å; E1389-R1392 WeakPolarHBondContact OE2-CD 3.42Å; E1389-R1392 IonicContact OE2-CZ 2.84Å; E1389-R1392 IonicContact OE2-NE 2.71Å; E1389-R1392 IonicContact OE2-NH1 3.08Å; E1389-R1392 PolarHBondContact OE2-NH1 2.88Å; E1389-Q1393 WeakPolarHBondContact O-CB 3.44Å; E1389-Q1393 PolarHBondContact O-N 3.11Å |
| 1390 | S | 71.4 | Confident | 76.5 | Confident | 48 Ų | 48 | 95 Ų | 95 | 34% | 0.336 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.4 | -24.7 | 169.5 | 78 | 0 | 0 | 0 | 0 | 112.2 | T1386 S1387 L1394 | T1386-S1390 WeakPolarHBondContact O-CA 3.41Å; T1386-S1390 WeakPolarHBondContact O-CB 3.25Å; T1386-S1390 PolarHBondContact O-N 3.22Å; T1386-S1390 PolarHBondContact O-OG 3.37Å; S1387-S1390 WeakPolarHBondContact CA-OG 3.22Å; S1387-S1390 PolarHBondContact O-OG 2.85Å; S1390-L1394 WeakPolarHBondContact O-CA 3.28Å; S1390-L1394 WeakPolarHBondContact O-CB 3.29Å; S1390-L1394 WeakPolarHBondContact O-CD1 3.44Å; S1390-L1394 WeakPolarHBondContact O-CG 3.32Å; S1390-L1394 PolarHBondContact O-N 3.36Å |
| 1391 | Q | 74.2 | Confident | 75.2 | Confident | 97 Ų | 97 | 91.4 Ų | 91.4 | 45% | 0.453 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -74 | -26.8 | 166.5 | -85 | -172.9 | 21.1 | 0 | 0 | 113.1 | S1387 K1388 E1389 K1395 | S1387-Q1391 WeakPolarHBondContact O-CA 3.36Å; S1387-Q1391 WeakPolarHBondContact O-CB 3.46Å; S1387-Q1391 WeakPolarHBondContact O-CG 3.23Å; S1387-Q1391 PolarHBondContact O-N 2.87Å; K1388-Q1391 PolarHBondContact O-N 2.83Å; E1389-Q1391 VanDerWaalsContact C-N 3.28Å; E1389-Q1391 PolarHBondContact O-N 2.95Å; Q1391-K1395 WeakPolarHBondContact O-CB 3.47Å; Q1391-K1395 WeakPolarHBondContact O-CD 3.46Å; Q1391-K1395 WeakPolarHBondContact O-CG 3.45Å; Q1391-K1395 PolarHBondContact O-N 2.79Å |
| 1392 | R | 77.2 | Confident | 74.4 | Confident | 158 Ų | 158 | 91.1 Ų | 91.1 | 60% | 0.596 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74 | -48.9 | 171.6 | -72.8 | 163.5 | 179.7 | 169.9 | -6.7 | 109.8 | K1388 E1389 K1395 S1396 | K1388-R1392 VanDerWaalsContact O-CG 3.29Å; K1388-R1392 WeakPolarHBondContact O-CG 3.31Å; K1388-R1392 PolarHBondContact O-N 3.08Å; E1389-R1392 CarbonylContact O-C 3.41Å; E1389-R1392 WeakPolarHBondContact O-CA 3.39Å; E1389-R1392 WeakPolarHBondContact O-CB 3.41Å; E1389-R1392 PolarHBondContact O-N 3.4Å; E1389-R1392 VanDerWaalsContact OE2-CD 3.23Å; E1389-R1392 WeakPolarHBondContact OE2-CD 3.42Å; E1389-R1392 IonicContact OE2-CZ 2.84Å; E1389-R1392 IonicContact OE2-NE 2.71Å; E1389-R1392 IonicContact OE2-NH1 3.08Å; E1389-R1392 PolarHBondContact OE2-NH1 2.88Å; R1392-K1395 PolarHBondContact O-N 2.85Å; R1392-K1395 VanDerWaalsContact O-N 3.12Å; R1392-S1396 PolarHBondContact O-N 3.4Å |
| 1393 | Q | 73.9 | Confident | 73.6 | Confident | 105 Ų | 105 | 91.3 Ų | 91.3 | 49% | 0.491 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -59.5 | -55.3 | 174.1 | -174.2 | 174.9 | -16.5 | 0 | 0 | 110 | E1389 K1395 S1396 E1397 | E1389-Q1393 WeakPolarHBondContact O-CB 3.44Å; E1389-Q1393 PolarHBondContact O-N 3.11Å; Q1393-K1395 PolarHBondContact O-N 3.47Å; Q1393-S1396 CarbonylContact O-C 3.53Å; Q1393-S1396 WeakPolarHBondContact O-CA 3.31Å; Q1393-S1396 PolarHBondContact O-N 3.48Å; Q1393-S1396 PolarHBondContact O-OG 3.38Å; Q1393-E1397 HydrophobicContact CG-CG 4.2Å; Q1393-E1397 VanDerWaalsContact CG-OE1 3.31Å; Q1393-E1397 WeakPolarHBondContact CG-OE1 3.33Å; Q1393-E1397 PolarHBondContact NE2-OE1 2.73Å; Q1393-E1397 WeakPolarHBondContact O-CB 3.39Å; Q1393-E1397 WeakPolarHBondContact O-CG 3.24Å; Q1393-E1397 PolarHBondContact O-N 3.36Å |
| 1394 | L | 66.3 | Low | 73.4 | Confident | 84 Ų | 84 | 92.8 Ų | 92.8 | 44% | 0.44 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -59.9 | -25.7 | 171.9 | -70.6 | 167.3 | 0 | 0 | 0 | 113.1 | S1390 I1398 | S1390-L1394 WeakPolarHBondContact O-CA 3.28Å; S1390-L1394 WeakPolarHBondContact O-CB 3.29Å; S1390-L1394 WeakPolarHBondContact O-CD1 3.44Å; S1390-L1394 WeakPolarHBondContact O-CG 3.32Å; S1390-L1394 PolarHBondContact O-N 3.36Å; L1394-I1398 HydrophobicContact CB-CD1 4.3Å; L1394-I1398 WeakPolarHBondContact O-CA 3.33Å; L1394-I1398 WeakPolarHBondContact O-CB 3.16Å; L1394-I1398 VanDerWaalsContact O-CD1 3.29Å; L1394-I1398 WeakPolarHBondContact O-CD1 3.35Å; L1394-I1398 WeakPolarHBondContact O-CG1 3.46Å; L1394-I1398 PolarHBondContact O-N 2.78Å |
| 1395 | K | 76.1 | Confident | 72.7 | Confident | 137 Ų | 137 | 91.9 Ų | 91.9 | 60% | 0.596 | 46% | 0.459 | S | S | * | . | H | α-helix | trans | -74.2 | -36.7 | 169.4 | -84.2 | 166.9 | -176.4 | 164.8 | 0 | 112 | Q1391 R1392 Q1393 Q1399 | Q1391-K1395 WeakPolarHBondContact O-CB 3.47Å; Q1391-K1395 WeakPolarHBondContact O-CD 3.46Å; Q1391-K1395 WeakPolarHBondContact O-CG 3.45Å; Q1391-K1395 PolarHBondContact O-N 2.79Å; R1392-K1395 PolarHBondContact O-N 2.85Å; R1392-K1395 VanDerWaalsContact O-N 3.12Å; Q1393-K1395 PolarHBondContact O-N 3.47Å; K1395-Q1399 VanDerWaalsContact O-CB 3.24Å; K1395-Q1399 WeakPolarHBondContact O-CB 3.48Å; K1395-Q1399 PolarHBondContact O-N 3.4Å |
| 1396 | S | 70.6 | Confident | 72 | Confident | 56 Ų | 56 | 91.7 Ų | 91.7 | 39% | 0.392 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -71.2 | -33.9 | 172.2 | 73.8 | 0 | 0 | 0 | 0 | 112.4 | R1392 Q1393 Q1399 L1400 | R1392-S1396 PolarHBondContact O-N 3.4Å; Q1393-S1396 CarbonylContact O-C 3.53Å; Q1393-S1396 WeakPolarHBondContact O-CA 3.31Å; Q1393-S1396 PolarHBondContact O-N 3.48Å; Q1393-S1396 PolarHBondContact O-OG 3.38Å; S1396-Q1399 PolarHBondContact O-N 3.07Å; S1396-L1400 VanDerWaalsContact O-CB 3.28Å; S1396-L1400 WeakPolarHBondContact O-CB 3.29Å; S1396-L1400 VanDerWaalsContact O-CG 3.25Å; S1396-L1400 WeakPolarHBondContact O-CG 3.35Å; S1396-L1400 PolarHBondContact O-N 2.8Å |
| 1397 | E | 69.9 | Low | 71.6 | Confident | 83 Ų | 83 | 93.4 Ų | 93.4 | 39% | 0.388 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -81.7 | -30.1 | 176.4 | -68.7 | 174.1 | 174.2 | 0 | 0 | 111.4 | Q1393 Q1399 A1401 | Q1393-E1397 HydrophobicContact CG-CG 4.2Å; Q1393-E1397 VanDerWaalsContact CG-OE1 3.31Å; Q1393-E1397 WeakPolarHBondContact CG-OE1 3.33Å; Q1393-E1397 PolarHBondContact NE2-OE1 2.73Å; Q1393-E1397 WeakPolarHBondContact O-CB 3.39Å; Q1393-E1397 WeakPolarHBondContact O-CG 3.24Å; Q1393-E1397 PolarHBondContact O-N 3.36Å; E1397-Q1399 VanDerWaalsContact C-N 3.31Å; E1397-A1401 WeakPolarHBondContact O-CA 3.49Å; E1397-A1401 WeakPolarHBondContact O-CB 3.17Å; E1397-A1401 PolarHBondContact O-N 2.86Å |
| 1398 | I | 72.6 | Confident | 71.1 | Confident | 95 Ų | 95 | 94.7 Ų | 94.7 | 49% | 0.487 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -77.9 | -17.9 | 166.3 | -68.3 | 163.4 | 0 | 0 | 0 | 110.2 | L1394 A1401 N1402 | L1394-I1398 HydrophobicContact CB-CD1 4.3Å; L1394-I1398 WeakPolarHBondContact O-CA 3.33Å; L1394-I1398 WeakPolarHBondContact O-CB 3.16Å; L1394-I1398 VanDerWaalsContact O-CD1 3.29Å; L1394-I1398 WeakPolarHBondContact O-CD1 3.35Å; L1394-I1398 WeakPolarHBondContact O-CG1 3.46Å; L1394-I1398 PolarHBondContact O-N 2.78Å; I1398-A1401 CarbonylContact O-C 3.58Å; I1398-N1402 WeakPolarHBondContact CG2-ND2 3.46Å; I1398-N1402 WeakPolarHBondContact O-CA 3.38Å; I1398-N1402 WeakPolarHBondContact O-CB 3.47Å; I1398-N1402 PolarHBondContact O-N 2.82Å; I1398-N1402 PolarHBondContact O-ND2 2.94Å |
| 1399 | Q | 73.4 | Confident | 70.6 | Confident | 125 Ų | 125 | 93.9 Ų | 93.9 | 58% | 0.584 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -78.6 | -55.4 | 167 | -176.1 | 172.2 | -16.8 | 0 | 0 | 110.1 | K1395 S1396 E1397 A1401 N1402 E1403 | K1395-Q1399 VanDerWaalsContact O-CB 3.24Å; K1395-Q1399 WeakPolarHBondContact O-CB 3.48Å; K1395-Q1399 PolarHBondContact O-N 3.4Å; S1396-Q1399 PolarHBondContact O-N 3.07Å; E1397-Q1399 VanDerWaalsContact C-N 3.31Å; Q1399-A1401 PolarHBondContact O-N 3.5Å; Q1399-N1402 CarbonylContact O-C 3.53Å; Q1399-N1402 PolarHBondContact O-N 3.21Å; Q1399-E1403 PolarHBondContact O-N 3.07Å |
| 1400 | L | 70.1 | Confident | 70.4 | Confident | 108 Ų | 108 | 93.1 Ų | 93.1 | 57% | 0.565 | 47% | 0.468 | S | S | * | . | H | α-helix | trans | -60.1 | -31.1 | 174.9 | -72.3 | 170 | 0 | 0 | 0 | 112.4 | S1396 E1403 Q1404 | S1396-L1400 VanDerWaalsContact O-CB 3.28Å; S1396-L1400 WeakPolarHBondContact O-CB 3.29Å; S1396-L1400 VanDerWaalsContact O-CG 3.25Å; S1396-L1400 WeakPolarHBondContact O-CG 3.35Å; S1396-L1400 PolarHBondContact O-N 2.8Å; L1400-E1403 CarbonylContact O-C 3.53Å; L1400-E1403 WeakPolarHBondContact O-CB 3.18Å; L1400-Q1404 VanDerWaalsContact O-CB 3.25Å; L1400-Q1404 WeakPolarHBondContact O-CB 3.34Å; L1400-Q1404 PolarHBondContact O-N 3.37Å |
| 1401 | A | 58.6 | Low | 70.4 | Confident | 35 Ų | 35 | 95.7 Ų | 95.7 | 29% | 0.289 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -103 | 14.5 | 171.3 | 0 | 0 | 0 | 0 | 0 | 114.3 | E1397 I1398 Q1399 Q1404 V1405 | E1397-A1401 WeakPolarHBondContact O-CA 3.49Å; E1397-A1401 WeakPolarHBondContact O-CB 3.17Å; E1397-A1401 PolarHBondContact O-N 2.86Å; I1398-A1401 CarbonylContact O-C 3.58Å; Q1399-A1401 PolarHBondContact O-N 3.5Å; A1401-Q1404 HydrophobicContact CB-CB 4.11Å; A1401-V1405 WeakPolarHBondContact O-CA 3.49Å; A1401-V1405 WeakPolarHBondContact O-CB 3.35Å; A1401-V1405 WeakPolarHBondContact O-CG2 3.47Å; A1401-V1405 PolarHBondContact O-N 3.42Å |
| 1402 | N | 70.5 | Confident | 70.1 | Confident | 85 Ų | 85 | 92.9 Ų | 92.9 | 46% | 0.455 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -93.1 | -29.1 | 147 | -86.5 | -38.1 | 0 | 0 | 0 | 109.3 | I1398 Q1399 N1406 | I1398-N1402 WeakPolarHBondContact CG2-ND2 3.46Å; I1398-N1402 WeakPolarHBondContact O-CA 3.38Å; I1398-N1402 WeakPolarHBondContact O-CB 3.47Å; I1398-N1402 PolarHBondContact O-N 2.82Å; I1398-N1402 PolarHBondContact O-ND2 2.94Å; Q1399-N1402 CarbonylContact O-C 3.53Å; Q1399-N1402 PolarHBondContact O-N 3.21Å; N1402-N1406 WeakPolarHBondContact O-CB 3.26Å; N1402-N1406 PolarHBondContact O-N 2.71Å; N1402-N1406 PolarHBondContact O-ND2 2.93Å |
| 1403 | E | 70.3 | Confident | 69.9 | Low | 91 Ų | 91 | 89.1 Ų | 89.1 | 43% | 0.425 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -67.7 | -41.7 | 163.1 | -67.8 | 175.2 | -150 | 0 | 0 | 110.3 | Q1399 L1400 K1407 | Q1399-E1403 PolarHBondContact O-N 3.07Å; L1400-E1403 CarbonylContact O-C 3.53Å; L1400-E1403 WeakPolarHBondContact O-CB 3.18Å; E1403-K1407 WeakPolarHBondContact O-CB 3.22Å; E1403-K1407 WeakPolarHBondContact O-CD 3.42Å; E1403-K1407 WeakPolarHBondContact O-CG 3.36Å; E1403-K1407 PolarHBondContact O-N 3.34Å |
| 1404 | Q | 71.8 | Confident | 69.9 | Low | 108 Ų | 108 | 87.7 Ų | 87.7 | 51% | 0.505 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -79 | -27.5 | 173.3 | -154.7 | -175 | -12.9 | 0 | 0 | 112.7 | L1400 A1401 L1408 | L1400-Q1404 VanDerWaalsContact O-CB 3.25Å; L1400-Q1404 WeakPolarHBondContact O-CB 3.34Å; L1400-Q1404 PolarHBondContact O-N 3.37Å; A1401-Q1404 HydrophobicContact CB-CB 4.11Å; Q1404-L1408 HydrophobicContact CG-CD1 3.92Å; Q1404-L1408 HydrophobicContact CG-CG 4.19Å; Q1404-L1408 WeakPolarHBondContact O-CA 3.32Å; Q1404-L1408 WeakPolarHBondContact O-CB 3.46Å; Q1404-L1408 WeakPolarHBondContact O-CD1 3.37Å; Q1404-L1408 WeakPolarHBondContact O-CG 3.38Å; Q1404-L1408 PolarHBondContact O-N 2.9Å |
| 1405 | V | 66.3 | Low | 70 | Confident | 68 Ų | 68 | 87.7 Ų | 87.7 | 41% | 0.412 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -74.5 | -29.9 | 165.1 | 165 | 0 | 0 | 0 | 0 | 111.4 | A1401 L1408 Q1409 | A1401-V1405 WeakPolarHBondContact O-CA 3.49Å; A1401-V1405 WeakPolarHBondContact O-CB 3.35Å; A1401-V1405 WeakPolarHBondContact O-CG2 3.47Å; A1401-V1405 PolarHBondContact O-N 3.42Å; V1405-L1408 CarbonylContact O-C 3.52Å; V1405-L1408 PolarHBondContact O-N 2.99Å; V1405-Q1409 WeakPolarHBondContact O-CA 3.41Å; V1405-Q1409 WeakPolarHBondContact O-CB 3.43Å; V1405-Q1409 PolarHBondContact O-N 3.21Å |
| 1406 | N | 70.4 | Confident | 69.8 | Low | 111 Ų | 111 | 85 Ų | 85 | 59% | 0.594 | 45% | 0.448 | S | S | * | . | H | α-helix | trans | -67.5 | -41.5 | 170.3 | -78.7 | -50 | 0 | 0 | 0 | 110.9 | N1402 Q1409 T1410 | N1402-N1406 WeakPolarHBondContact O-CB 3.26Å; N1402-N1406 PolarHBondContact O-N 2.71Å; N1402-N1406 PolarHBondContact O-ND2 2.93Å; N1406-Q1409 PolarHBondContact O-N 2.63Å; N1406-T1410 PolarHBondContact O-N 3.22Å; N1406-T1410 PolarHBondContact O-OG1 3Å |
| 1407 | K | 72.6 | Confident | 69.6 | Low | 110 Ų | 110 | 89.8 Ų | 89.8 | 48% | 0.478 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -62.7 | -48.8 | 170.2 | -68.9 | 159.4 | -169.5 | 160.4 | 0 | 111.5 | E1403 Q1409 T1410 E1411 | E1403-K1407 WeakPolarHBondContact O-CB 3.22Å; E1403-K1407 WeakPolarHBondContact O-CD 3.42Å; E1403-K1407 WeakPolarHBondContact O-CG 3.36Å; E1403-K1407 PolarHBondContact O-N 3.34Å; K1407-Q1409 PolarHBondContact O-N 3.21Å; K1407-T1410 WeakPolarHBondContact CA-OG1 3.25Å; K1407-T1410 CarbonylContact O-C 3.49Å; K1407-T1410 PolarHBondContact O-N 3.06Å; K1407-T1410 PolarHBondContact O-OG1 3.06Å; K1407-E1411 WeakPolarHBondContact O-CB 3.45Å; K1407-E1411 VanDerWaalsContact O-CG 3.27Å; K1407-E1411 WeakPolarHBondContact O-CG 3.46Å; K1407-E1411 PolarHBondContact O-N 3.15Å |
| 1408 | L | 60.9 | Low | 69.8 | Low | 76 Ų | 76 | 90.8 Ų | 90.8 | 40% | 0.398 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -72.4 | -3.6 | 174.6 | -67.7 | 166.9 | 0 | 0 | 0 | 113.6 | Q1404 V1405 A1412 | Q1404-L1408 HydrophobicContact CG-CD1 3.92Å; Q1404-L1408 HydrophobicContact CG-CG 4.19Å; Q1404-L1408 WeakPolarHBondContact O-CA 3.32Å; Q1404-L1408 WeakPolarHBondContact O-CB 3.46Å; Q1404-L1408 WeakPolarHBondContact O-CD1 3.37Å; Q1404-L1408 WeakPolarHBondContact O-CG 3.38Å; Q1404-L1408 PolarHBondContact O-N 2.9Å; V1405-L1408 CarbonylContact O-C 3.52Å; V1405-L1408 PolarHBondContact O-N 2.99Å; L1408-A1412 VanDerWaalsContact O-CA 3.27Å; L1408-A1412 WeakPolarHBondContact O-CA 3.12Å; L1408-A1412 WeakPolarHBondContact O-CB 3.48Å; L1408-A1412 PolarHBondContact O-N 3.25Å |
| 1409 | Q | 70.5 | Confident | 69.9 | Low | 93 Ų | 93 | 90.5 Ų | 90.5 | 44% | 0.435 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -102.7 | -26.6 | 171.4 | -174.5 | 70.1 | 63.1 | 0 | 0 | 109.5 | V1405 N1406 K1407 N1413 | V1405-Q1409 WeakPolarHBondContact O-CA 3.41Å; V1405-Q1409 WeakPolarHBondContact O-CB 3.43Å; V1405-Q1409 PolarHBondContact O-N 3.21Å; N1406-Q1409 PolarHBondContact O-N 2.63Å; K1407-Q1409 PolarHBondContact O-N 3.21Å; Q1409-N1413 PolarHBondContact NE2-OD1 2.86Å; Q1409-N1413 WeakPolarHBondContact O-CB 3.49Å; Q1409-N1413 PolarHBondContact O-N 3.33Å; Q1409-N1413 PolarHBondContact O-ND2 3.13Å; Q1409-N1413 PolarHBondContact O-OD1 2.8Å |
| 1410 | T | 70.6 | Confident | 70 | Confident | 83 Ų | 83 | 87.6 Ų | 87.6 | 51% | 0.509 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -66.7 | -53.5 | 156.9 | 42.5 | 0 | 0 | 0 | 0 | 110 | N1406 K1407 A1412 N1413 D1414 | N1406-T1410 PolarHBondContact O-N 3.22Å; N1406-T1410 PolarHBondContact O-OG1 3Å; K1407-T1410 WeakPolarHBondContact CA-OG1 3.25Å; K1407-T1410 CarbonylContact O-C 3.49Å; K1407-T1410 PolarHBondContact O-N 3.06Å; K1407-T1410 PolarHBondContact O-OG1 3.06Å; T1410-A1412 VanDerWaalsContact C-N 3.3Å; T1410-A1412 PolarHBondContact O-N 3.31Å; T1410-N1413 CarbonylContact O-C 3.59Å; T1410-N1413 PolarHBondContact O-N 3.34Å; T1410-N1413 VanDerWaalsContact O-N 3.08Å; T1410-D1414 WeakPolarHBondContact O-CB 3.3Å; T1410-D1414 VanDerWaalsContact O-CG 3.32Å; T1410-D1414 PolarHBondContact O-N 3.5Å |
| 1411 | E | 72 | Confident | 70.2 | Confident | 101 Ų | 101 | 84.4 Ų | 84.4 | 47% | 0.472 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -68.4 | -20.2 | 177.3 | -61.6 | 162.6 | -144.7 | 0 | 0 | 112.9 | K1407 D1414 V1415 | K1407-E1411 WeakPolarHBondContact O-CB 3.45Å; K1407-E1411 VanDerWaalsContact O-CG 3.27Å; K1407-E1411 WeakPolarHBondContact O-CG 3.46Å; K1407-E1411 PolarHBondContact O-N 3.15Å; E1411-D1414 CarbonylContact O-C 3.56Å; E1411-V1415 WeakPolarHBondContact O-CA 3.47Å; E1411-V1415 WeakPolarHBondContact O-CB 3.24Å; E1411-V1415 WeakPolarHBondContact O-CG2 3.33Å; E1411-V1415 PolarHBondContact O-N 3.18Å |
| 1412 | A | 68.6 | Low | 70.9 | Confident | 39 Ų | 39 | 87.5 Ų | 87.5 | 32% | 0.322 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -102.4 | -1 | 166.9 | 0 | 0 | 0 | 0 | 0 | 114.8 | L1408 T1410 D1414 Q1416 | L1408-A1412 VanDerWaalsContact O-CA 3.27Å; L1408-A1412 WeakPolarHBondContact O-CA 3.12Å; L1408-A1412 WeakPolarHBondContact O-CB 3.48Å; L1408-A1412 PolarHBondContact O-N 3.25Å; T1410-A1412 VanDerWaalsContact C-N 3.3Å; T1410-A1412 PolarHBondContact O-N 3.31Å; A1412-D1414 VanDerWaalsContact C-N 3.34Å; A1412-Q1416 WeakPolarHBondContact O-CA 3.31Å; A1412-Q1416 WeakPolarHBondContact O-CB 3.39Å; A1412-Q1416 PolarHBondContact O-N 3.27Å |
| 1413 | N | 73 | Confident | 71.1 | Confident | 79 Ų | 79 | 87 Ų | 87 | 42% | 0.422 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -76.6 | -32.7 | 151.4 | -73.5 | -19.3 | 0 | 0 | 0 | 109 | Q1409 T1410 R1417 | Q1409-N1413 PolarHBondContact NE2-OD1 2.86Å; Q1409-N1413 WeakPolarHBondContact O-CB 3.49Å; Q1409-N1413 PolarHBondContact O-N 3.33Å; Q1409-N1413 PolarHBondContact O-ND2 3.13Å; Q1409-N1413 PolarHBondContact O-OD1 2.8Å; T1410-N1413 CarbonylContact O-C 3.59Å; T1410-N1413 PolarHBondContact O-N 3.34Å; T1410-N1413 VanDerWaalsContact O-N 3.08Å; N1413-R1417 VanDerWaalsContact O-CB 3.29Å; N1413-R1417 WeakPolarHBondContact O-CB 3.42Å; N1413-R1417 WeakPolarHBondContact O-CG 3.38Å; N1413-R1417 PolarHBondContact O-N 3.28Å; N1413-R1417 PolarHBondContact O-NE 2.85Å |
| 1414 | D | 74 | Confident | 71.3 | Confident | 74 Ų | 74 | 90 Ų | 90 | 40% | 0.396 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -78.3 | -40.4 | 173.5 | -65.3 | -23.1 | 0 | 0 | 0 | 111.8 | T1410 E1411 A1412 R1417 L1418 | T1410-D1414 WeakPolarHBondContact O-CB 3.3Å; T1410-D1414 VanDerWaalsContact O-CG 3.32Å; T1410-D1414 PolarHBondContact O-N 3.5Å; E1411-D1414 CarbonylContact O-C 3.56Å; A1412-D1414 VanDerWaalsContact C-N 3.34Å; D1414-R1417 CarbonylContact O-C 3.6Å; D1414-R1417 WeakPolarHBondContact O-CB 3.49Å; D1414-R1417 PolarHBondContact O-N 3.42Å; D1414-R1417 IonicContact OD1-CZ 3.86Å; D1414-R1417 IonicContact OD1-NE 2.76Å; D1414-R1417 PolarHBondContact OD1-NE 3.06Å; D1414-R1417 IonicContact OD1-NH2 3.77Å; D1414-R1417 PolarHBondContact OD1-NH2 3Å; D1414-L1418 WeakPolarHBondContact O-CB 3.41Å; D1414-L1418 VanDerWaalsContact O-CG 3.29Å; D1414-L1418 WeakPolarHBondContact O-CG 3.45Å; D1414-L1418 PolarHBondContact O-N 3.38Å |
| 1415 | V | 67.9 | Low | 71.5 | Confident | 84 Ų | 84 | 90.2 Ų | 90.2 | 51% | 0.509 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -77 | -25 | 171.1 | 169.3 | 0 | 0 | 0 | 0 | 111.7 | E1411 L1418 K1419 | E1411-V1415 WeakPolarHBondContact O-CA 3.47Å; E1411-V1415 WeakPolarHBondContact O-CB 3.24Å; E1411-V1415 WeakPolarHBondContact O-CG2 3.33Å; E1411-V1415 PolarHBondContact O-N 3.18Å; V1415-L1418 HydrophobicContact CG2-CD1 4.43Å; V1415-L1418 CarbonylContact O-C 3.57Å; V1415-K1419 WeakPolarHBondContact O-CA 3.4Å; V1415-K1419 WeakPolarHBondContact O-CB 3.49Å; V1415-K1419 PolarHBondContact O-N 3.3Å |
| 1416 | Q | 71.4 | Confident | 71.8 | Confident | 81 Ų | 81 | 94 Ų | 94 | 38% | 0.379 | 47% | 0.468 | S | S | . | . | H | α-helix | trans | -73.7 | -30.1 | 165.1 | -175.9 | 62.3 | 26.4 | 0 | 0 | 111.2 | A1412 K1419 T1420 | A1412-Q1416 WeakPolarHBondContact O-CA 3.31Å; A1412-Q1416 WeakPolarHBondContact O-CB 3.39Å; A1412-Q1416 PolarHBondContact O-N 3.27Å; Q1416-K1419 PolarHBondContact O-N 2.96Å; Q1416-T1420 WeakPolarHBondContact O-CG2 3.45Å; Q1416-T1420 PolarHBondContact O-N 3.16Å; Q1416-T1420 PolarHBondContact O-OG1 3.19Å; Q1416-T1420 VanDerWaalsContact O-OG1 3.1Å |
| 1417 | R | 67.2 | Low | 72.2 | Confident | 157 Ų | 157 | 90.6 Ų | 90.6 | 59% | 0.592 | 46% | 0.46 | S | S | * | . | H | α-helix | trans | -69.3 | -44.3 | 168.9 | -80.9 | -178.1 | -79.2 | -153.7 | 0.8 | 112.3 | N1413 D1414 K1419 T1420 A1421 | N1413-R1417 VanDerWaalsContact O-CB 3.29Å; N1413-R1417 WeakPolarHBondContact O-CB 3.42Å; N1413-R1417 WeakPolarHBondContact O-CG 3.38Å; N1413-R1417 PolarHBondContact O-N 3.28Å; N1413-R1417 PolarHBondContact O-NE 2.85Å; D1414-R1417 CarbonylContact O-C 3.6Å; D1414-R1417 WeakPolarHBondContact O-CB 3.49Å; D1414-R1417 PolarHBondContact O-N 3.42Å; D1414-R1417 IonicContact OD1-CZ 3.86Å; D1414-R1417 IonicContact OD1-NE 2.76Å; D1414-R1417 PolarHBondContact OD1-NE 3.06Å; D1414-R1417 IonicContact OD1-NH2 3.77Å; D1414-R1417 PolarHBondContact OD1-NH2 3Å; R1417-K1419 VanDerWaalsContact C-N 3.26Å; R1417-K1419 PolarHBondContact O-N 3.38Å; R1417-T1420 PolarHBondContact O-N 3.21Å; R1417-T1420 PolarHBondContact O-OG1 3.49Å; R1417-T1420 VanDerWaalsContact O-OG1 3.06Å; R1417-A1421 WeakPolarHBondContact O-CB 3.43Å; R1417-A1421 PolarHBondContact O-N 3.4Å |
| 1418 | L | 74.2 | Confident | 72.3 | Confident | 104 Ų | 104 | 88.4 Ų | 88.4 | 55% | 0.545 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -68.5 | -25.2 | 171.9 | -68.7 | 166.6 | 0 | 0 | 0 | 111.7 | D1414 V1415 L1422 | D1414-L1418 WeakPolarHBondContact O-CB 3.41Å; D1414-L1418 VanDerWaalsContact O-CG 3.29Å; D1414-L1418 WeakPolarHBondContact O-CG 3.45Å; D1414-L1418 PolarHBondContact O-N 3.38Å; V1415-L1418 HydrophobicContact CG2-CD1 4.43Å; V1415-L1418 CarbonylContact O-C 3.57Å; L1418-L1422 WeakPolarHBondContact O-CA 3.32Å; L1418-L1422 WeakPolarHBondContact O-CB 3.25Å; L1418-L1422 WeakPolarHBondContact O-CD1 3.42Å; L1418-L1422 WeakPolarHBondContact O-CG 3.38Å; L1418-L1422 PolarHBondContact O-N 3.14Å |
| 1419 | K | 74.7 | Confident | 73.1 | Confident | 88 Ų | 88 | 89.2 Ų | 89.2 | 38% | 0.383 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -82.6 | -35.7 | 174.2 | 177.2 | -178.6 | 148.9 | -145.3 | 0 | 111.7 | V1415 Q1416 R1417 A1421 L1422 E1423 | V1415-K1419 WeakPolarHBondContact O-CA 3.4Å; V1415-K1419 WeakPolarHBondContact O-CB 3.49Å; V1415-K1419 PolarHBondContact O-N 3.3Å; Q1416-K1419 PolarHBondContact O-N 2.96Å; R1417-K1419 VanDerWaalsContact C-N 3.26Å; R1417-K1419 PolarHBondContact O-N 3.38Å; K1419-A1421 VanDerWaalsContact C-N 3.29Å; K1419-L1422 CarbonylContact O-C 3.56Å; K1419-L1422 PolarHBondContact O-N 2.95Å; K1419-E1423 VanDerWaalsContact CE-OE1 3.31Å; K1419-E1423 WeakPolarHBondContact CE-OE1 3.34Å; K1419-E1423 WeakPolarHBondContact CE-OE2 3.11Å; K1419-E1423 HydrophobicContact CG-CG 4Å; K1419-E1423 WeakPolarHBondContact O-CA 3.28Å; K1419-E1423 WeakPolarHBondContact O-CB 3.28Å; K1419-E1423 WeakPolarHBondContact O-CG 3.42Å; K1419-E1423 PolarHBondContact O-N 3.14Å |
| 1420 | T | 73.9 | Confident | 73.5 | Confident | 65 Ų | 65 | 91.2 Ų | 91.2 | 40% | 0.399 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -67.7 | -35.6 | 168.7 | 51.4 | 0 | 0 | 0 | 0 | 110.5 | Q1416 R1417 E1423 Q1424 | Q1416-T1420 WeakPolarHBondContact O-CG2 3.45Å; Q1416-T1420 PolarHBondContact O-N 3.16Å; Q1416-T1420 PolarHBondContact O-OG1 3.19Å; Q1416-T1420 VanDerWaalsContact O-OG1 3.1Å; R1417-T1420 PolarHBondContact O-N 3.21Å; R1417-T1420 PolarHBondContact O-OG1 3.49Å; R1417-T1420 VanDerWaalsContact O-OG1 3.06Å; T1420-E1423 PolarHBondContact O-N 3.25Å; T1420-Q1424 WeakPolarHBondContact O-CB 3.49Å; T1420-Q1424 WeakPolarHBondContact O-CG 3.42Å; T1420-Q1424 PolarHBondContact O-N 3.4Å |
| 1421 | A | 75.9 | Confident | 73.8 | Confident | 40 Ų | 40 | 88.7 Ų | 88.7 | 33% | 0.331 | 46% | 0.461 | S | S | . | . | H | α-helix | trans | -61.9 | -50.7 | 167 | 0 | 0 | 0 | 0 | 0 | 111.4 | R1417 K1419 E1423 Q1424 E1425 | R1417-A1421 WeakPolarHBondContact O-CB 3.43Å; R1417-A1421 PolarHBondContact O-N 3.4Å; K1419-A1421 VanDerWaalsContact C-N 3.29Å; A1421-E1423 PolarHBondContact O-N 3.38Å; A1421-Q1424 CarbonylContact O-C 3.59Å; A1421-Q1424 PolarHBondContact O-N 2.95Å; A1421-E1425 WeakPolarHBondContact O-CB 3.43Å; A1421-E1425 WeakPolarHBondContact O-CG 3.27Å; A1421-E1425 PolarHBondContact O-N 3.16Å |
| 1422 | L | 73.1 | Confident | 74.2 | Confident | 101 Ų | 101 | 87.5 Ų | 87.5 | 53% | 0.529 | 46% | 0.455 | S | S | . | . | H | α-helix | trans | -71.5 | -7.6 | 175.9 | -73.7 | 166 | 0 | 0 | 0 | 113.9 | L1418 K1419 R1426 | L1418-L1422 WeakPolarHBondContact O-CA 3.32Å; L1418-L1422 WeakPolarHBondContact O-CB 3.25Å; L1418-L1422 WeakPolarHBondContact O-CD1 3.42Å; L1418-L1422 WeakPolarHBondContact O-CG 3.38Å; L1418-L1422 PolarHBondContact O-N 3.14Å; K1419-L1422 CarbonylContact O-C 3.56Å; K1419-L1422 PolarHBondContact O-N 2.95Å; L1422-R1426 WeakPolarHBondContact O-CA 3.2Å; L1422-R1426 WeakPolarHBondContact O-CB 3.35Å; L1422-R1426 PolarHBondContact O-N 2.83Å |
| 1423 | E | 74.7 | Confident | 74.7 | Confident | 74 Ų | 74 | 89.4 Ų | 89.4 | 35% | 0.346 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -100.9 | -21.9 | 172.5 | -76.2 | -179.2 | 144.2 | 0 | 0 | 111.4 | K1419 T1420 A1421 R1426 G1427 | K1419-E1423 VanDerWaalsContact CE-OE1 3.31Å; K1419-E1423 WeakPolarHBondContact CE-OE1 3.34Å; K1419-E1423 WeakPolarHBondContact CE-OE2 3.11Å; K1419-E1423 HydrophobicContact CG-CG 4Å; K1419-E1423 WeakPolarHBondContact O-CA 3.28Å; K1419-E1423 WeakPolarHBondContact O-CB 3.28Å; K1419-E1423 WeakPolarHBondContact O-CG 3.42Å; K1419-E1423 PolarHBondContact O-N 3.14Å; T1420-E1423 PolarHBondContact O-N 3.25Å; A1421-E1423 PolarHBondContact O-N 3.38Å; E1423-R1426 IonicContact OE1-NH2 3.99Å; E1423-R1426 PolarHBondContact OE1-NH2 3.43Å; E1423-G1427 VanDerWaalsContact O-CA 3.26Å; E1423-G1427 WeakPolarHBondContact O-CA 3.45Å; E1423-G1427 PolarHBondContact O-N 3.19Å |
| 1424 | Q | 74 | Confident | 75.2 | Confident | 153 Ų | 153 | 92 Ų | 92 | 72% | 0.715 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -74.7 | -42.5 | 159.3 | -74.5 | -179.8 | -16.7 | 0 | 0 | 110.8 | T1420 A1421 G1427 S1428 | T1420-Q1424 WeakPolarHBondContact O-CB 3.49Å; T1420-Q1424 WeakPolarHBondContact O-CG 3.42Å; T1420-Q1424 PolarHBondContact O-N 3.4Å; A1421-Q1424 CarbonylContact O-C 3.59Å; A1421-Q1424 PolarHBondContact O-N 2.95Å; Q1424-G1427 CarbonylContact O-C 3.58Å; Q1424-G1427 WeakPolarHBondContact O-CA 3.24Å; Q1424-G1427 PolarHBondContact O-N 3.29Å; Q1424-S1428 WeakPolarHBondContact O-CB 3.41Å; Q1424-S1428 PolarHBondContact O-N 3.37Å |
| 1425 | E | 75.7 | Confident | 75.5 | Confident | 113 Ų | 113 | 93.5 Ų | 93.5 | 53% | 0.528 | 48% | 0.475 | S | S | . | . | H | α-helix | trans | -72 | -44.5 | 172.6 | -71.1 | -173.9 | 166.6 | 0 | 0 | 111.3 | A1421 G1427 S1428 L1429 | A1421-E1425 WeakPolarHBondContact O-CB 3.43Å; A1421-E1425 WeakPolarHBondContact O-CG 3.27Å; A1421-E1425 PolarHBondContact O-N 3.16Å; E1425-G1427 PolarHBondContact O-N 3Å; E1425-S1428 CarbonylContact O-C 3.53Å; E1425-S1428 PolarHBondContact O-N 3Å; E1425-L1429 WeakPolarHBondContact O-CA 3.48Å; E1425-L1429 WeakPolarHBondContact O-CB 3.41Å; E1425-L1429 VanDerWaalsContact O-CG 3.24Å; E1425-L1429 WeakPolarHBondContact O-CG 3.24Å; E1425-L1429 PolarHBondContact O-N 3.06Å |
| 1426 | R | 72.7 | Confident | 76.2 | Confident | 147 Ų | 147 | 93.1 Ų | 93.1 | 56% | 0.555 | 47% | 0.469 | S | S | * | . | H | α-helix | trans | -66.1 | -19.6 | 167 | -170.9 | -172.5 | 67 | 169.4 | -6.3 | 111.3 | L1422 E1423 K1430 | L1422-R1426 WeakPolarHBondContact O-CA 3.2Å; L1422-R1426 WeakPolarHBondContact O-CB 3.35Å; L1422-R1426 PolarHBondContact O-N 2.83Å; E1423-R1426 IonicContact OE1-NH2 3.99Å; E1423-R1426 PolarHBondContact OE1-NH2 3.43Å; R1426-K1430 WeakPolarHBondContact O-CA 3.1Å; R1426-K1430 WeakPolarHBondContact O-CB 3.38Å; R1426-K1430 PolarHBondContact O-N 2.8Å |
| 1427 | G | 77.9 | Confident | 76.7 | Confident | 40 Ų | 40 | 91.9 Ų | 91.9 | 41% | 0.412 | 47% | 0.467 | S | S | . | . | H | α-helix | trans | -69 | -51.4 | 169.6 | 0 | 0 | 0 | 0 | 0 | 110.9 | E1423 Q1424 E1425 K1430 G1431 | E1423-G1427 VanDerWaalsContact O-CA 3.26Å; E1423-G1427 WeakPolarHBondContact O-CA 3.45Å; E1423-G1427 PolarHBondContact O-N 3.19Å; Q1424-G1427 CarbonylContact O-C 3.58Å; Q1424-G1427 WeakPolarHBondContact O-CA 3.24Å; Q1424-G1427 PolarHBondContact O-N 3.29Å; E1425-G1427 PolarHBondContact O-N 3Å; G1427-K1430 PolarHBondContact O-N 3.11Å; G1427-G1431 PolarHBondContact O-N 3.26Å |
| 1428 | S | 75.1 | Confident | 77.3 | Confident | 65 Ų | 65 | 89.4 Ų | 89.4 | 46% | 0.455 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -60.3 | -60.9 | 173.4 | -161.7 | 0 | 0 | 0 | 0 | 109.9 | Q1424 E1425 K1430 G1431 E1432 | Q1424-S1428 WeakPolarHBondContact O-CB 3.41Å; Q1424-S1428 PolarHBondContact O-N 3.37Å; E1425-S1428 CarbonylContact O-C 3.53Å; E1425-S1428 PolarHBondContact O-N 3Å; S1428-K1430 PolarHBondContact O-N 2.98Å; S1428-K1430 VanDerWaalsContact O-N 3.08Å; S1428-G1431 CarbonylContact O-C 3.6Å; S1428-G1431 WeakPolarHBondContact O-CA 3.44Å; S1428-G1431 PolarHBondContact O-N 3.2Å; S1428-E1432 VanDerWaalsContact CB-OE1 3.26Å; S1428-E1432 WeakPolarHBondContact CB-OE1 3.43Å; S1428-E1432 WeakPolarHBondContact O-CG 3.3Å; S1428-E1432 PolarHBondContact O-N 3.43Å; S1428-E1432 PolarHBondContact OG-OE1 2.93Å |
| 1429 | L | 78.5 | Confident | 77.7 | Confident | 92 Ų | 92 | 89.8 Ų | 89.8 | 48% | 0.482 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -57.3 | -21.8 | 174.5 | -65 | 168.2 | 0 | 0 | 0 | 114 | E1425 E1432 V1433 | E1425-L1429 WeakPolarHBondContact O-CA 3.48Å; E1425-L1429 WeakPolarHBondContact O-CB 3.41Å; E1425-L1429 VanDerWaalsContact O-CG 3.24Å; E1425-L1429 WeakPolarHBondContact O-CG 3.24Å; E1425-L1429 PolarHBondContact O-N 3.06Å; L1429-E1432 PolarHBondContact N-OE1 3.24Å; L1429-V1433 WeakPolarHBondContact O-CA 3.33Å; L1429-V1433 WeakPolarHBondContact O-CB 3.43Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.47Å; L1429-V1433 PolarHBondContact O-N 3.48Å |
| 1430 | K | 77.5 | Confident | 78 | Confident | 135 Ų | 135 | 93.8 Ų | 93.8 | 59% | 0.587 | 47% | 0.472 | S | S | * | . | H | α-helix | trans | -88.4 | -24.9 | 169.3 | -173.8 | 173.7 | -178.8 | 178.5 | 0 | 112.1 | R1426 G1427 S1428 K1434 | R1426-K1430 WeakPolarHBondContact O-CA 3.1Å; R1426-K1430 WeakPolarHBondContact O-CB 3.38Å; R1426-K1430 PolarHBondContact O-N 2.8Å; G1427-K1430 PolarHBondContact O-N 3.11Å; S1428-K1430 PolarHBondContact O-N 2.98Å; S1428-K1430 VanDerWaalsContact O-N 3.08Å; K1430-K1434 WeakPolarHBondContact O-CB 3.25Å; K1430-K1434 WeakPolarHBondContact O-CG 3.22Å; K1430-K1434 PolarHBondContact O-N 3.13Å |
| 1431 | G | 77.8 | Confident | 78.4 | Confident | 31 Ų | 31 | 95.7 Ų | 95.7 | 32% | 0.32 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -66.4 | -49.3 | 162.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | G1427 S1428 K1434 Q1435 | G1427-G1431 PolarHBondContact O-N 3.26Å; S1428-G1431 CarbonylContact O-C 3.6Å; S1428-G1431 WeakPolarHBondContact O-CA 3.44Å; S1428-G1431 PolarHBondContact O-N 3.2Å; G1431-K1434 CarbonylContact O-C 3.57Å; G1431-K1434 WeakPolarHBondContact O-CB 3.31Å; G1431-K1434 PolarHBondContact O-N 2.93Å; G1431-Q1435 WeakPolarHBondContact O-CB 3.19Å; G1431-Q1435 WeakPolarHBondContact O-CG 3.37Å; G1431-Q1435 PolarHBondContact O-N 3.43Å |
| 1432 | E | 79.4 | Confident | 78.8 | Confident | 75 Ų | 75 | 98.3 Ų | 98.3 | 35% | 0.35 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -67.7 | -38 | 175.1 | -62.7 | 159.8 | -122.3 | 0 | 0 | 111.7 | S1428 L1429 Q1435 I1436 | S1428-E1432 VanDerWaalsContact CB-OE1 3.26Å; S1428-E1432 WeakPolarHBondContact CB-OE1 3.43Å; S1428-E1432 WeakPolarHBondContact O-CG 3.3Å; S1428-E1432 PolarHBondContact O-N 3.43Å; S1428-E1432 PolarHBondContact OG-OE1 2.93Å; L1429-E1432 PolarHBondContact N-OE1 3.24Å; E1432-Q1435 CarbonylContact O-C 3.58Å; E1432-Q1435 PolarHBondContact O-N 3.47Å; E1432-I1436 VanDerWaalsContact O-CB 3.27Å; E1432-I1436 WeakPolarHBondContact O-CB 3.49Å; E1432-I1436 WeakPolarHBondContact O-CD1 3.48Å; E1432-I1436 WeakPolarHBondContact O-CG1 3.27Å; E1432-I1436 PolarHBondContact O-N 2.9Å |
| 1433 | V | 80.5 | Confident | 79.1 | Confident | 80 Ų | 80 | 98.3 Ų | 98.3 | 49% | 0.485 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -73 | -31.8 | 171.2 | 166.8 | 0 | 0 | 0 | 0 | 111.1 | L1429 I1436 V1437 | L1429-V1433 WeakPolarHBondContact O-CA 3.33Å; L1429-V1433 WeakPolarHBondContact O-CB 3.43Å; L1429-V1433 WeakPolarHBondContact O-CG2 3.47Å; L1429-V1433 PolarHBondContact O-N 3.48Å; V1433-I1436 PolarHBondContact O-N 3.46Å; V1433-V1437 HydrophobicContact CG1-CG2 4.17Å; V1433-V1437 WeakPolarHBondContact O-CB 3.34Å; V1433-V1437 WeakPolarHBondContact O-CG2 3.42Å; V1433-V1437 PolarHBondContact O-N 3.35Å |
| 1434 | K | 82.2 | Confident | 79.5 | Confident | 134 Ų | 134 | 97.4 Ų | 97.4 | 58% | 0.583 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -64.2 | -41.5 | 166.7 | -86.1 | 179.9 | 170.2 | -164.9 | 0 | 111.2 | K1430 G1431 V1437 Q1438 | K1430-K1434 WeakPolarHBondContact O-CB 3.25Å; K1430-K1434 WeakPolarHBondContact O-CG 3.22Å; K1430-K1434 PolarHBondContact O-N 3.13Å; G1431-K1434 CarbonylContact O-C 3.57Å; G1431-K1434 WeakPolarHBondContact O-CB 3.31Å; G1431-K1434 PolarHBondContact O-N 2.93Å; K1434-V1437 PolarHBondContact O-N 3.29Å; K1434-Q1438 VanDerWaalsContact O-CB 3.3Å; K1434-Q1438 WeakPolarHBondContact O-CB 3.16Å; K1434-Q1438 VanDerWaalsContact O-CG 3.22Å; K1434-Q1438 WeakPolarHBondContact O-CG 3.19Å; K1434-Q1438 PolarHBondContact O-N 2.96Å; K1434-Q1438 PolarHBondContact O-OE1 3.07Å |
| 1435 | Q | 81.1 | Confident | 79.9 | Confident | 105 Ų | 105 | 98 Ų | 98 | 49% | 0.491 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -68.1 | -36.6 | 174.5 | -76.1 | 174.1 | -12.8 | 0 | 0 | 111.6 | G1431 E1432 Q1438 F1439 | G1431-Q1435 WeakPolarHBondContact O-CB 3.19Å; G1431-Q1435 WeakPolarHBondContact O-CG 3.37Å; G1431-Q1435 PolarHBondContact O-N 3.43Å; E1432-Q1435 CarbonylContact O-C 3.58Å; E1432-Q1435 PolarHBondContact O-N 3.47Å; Q1435-Q1438 PolarHBondContact O-N 3.16Å; Q1435-F1439 HydrophobicContact CB-CD2 4.33Å; Q1435-F1439 HydrophobicContact CB-CE2 4.08Å; Q1435-F1439 WeakPolarHBondContact O-CA 3.46Å; Q1435-F1439 WeakPolarHBondContact O-CB 3.34Å; Q1435-F1439 WeakPolarHBondContact O-CD2 3.34Å; Q1435-F1439 WeakPolarHBondContact O-CG 3.45Å; Q1435-F1439 PolarHBondContact O-N 3.2Å |
| 1436 | I | 81.9 | Confident | 80.3 | Confident | 75 Ų | 75 | 97.3 Ų | 97.3 | 39% | 0.385 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.7 | -30.1 | 174.9 | -71 | 160.5 | 0 | 0 | 0 | 110.5 | E1432 V1433 F1439 R1440 | E1432-I1436 VanDerWaalsContact O-CB 3.27Å; E1432-I1436 WeakPolarHBondContact O-CB 3.49Å; E1432-I1436 WeakPolarHBondContact O-CD1 3.48Å; E1432-I1436 WeakPolarHBondContact O-CG1 3.27Å; E1432-I1436 PolarHBondContact O-N 2.9Å; V1433-I1436 PolarHBondContact O-N 3.46Å; I1436-F1439 CarbonylContact O-C 3.58Å; I1436-R1440 HydrophobicContact CG2-CG 4.42Å; I1436-R1440 WeakPolarHBondContact O-CB 3.48Å; I1436-R1440 WeakPolarHBondContact O-CD 3.47Å; I1436-R1440 WeakPolarHBondContact O-CG 3.34Å; I1436-R1440 PolarHBondContact O-N 2.96Å |
| 1437 | V | 82 | Confident | 81 | Confident | 56 Ų | 56 | 95.9 Ų | 95.9 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -73.9 | -42.9 | 171.2 | 167.3 | 0 | 0 | 0 | 0 | 110.2 | V1433 K1434 R1440 E1441 | V1433-V1437 HydrophobicContact CG1-CG2 4.17Å; V1433-V1437 WeakPolarHBondContact O-CB 3.34Å; V1433-V1437 WeakPolarHBondContact O-CG2 3.42Å; V1433-V1437 PolarHBondContact O-N 3.35Å; K1434-V1437 PolarHBondContact O-N 3.29Å; V1437-R1440 CarbonylContact O-C 3.54Å; V1437-R1440 WeakPolarHBondContact O-CA 3.31Å; V1437-R1440 PolarHBondContact O-N 2.83Å; V1437-E1441 HydrophobicContact CG1-CG 4.39Å; V1437-E1441 VanDerWaalsContact CG1-OE1 3.28Å; V1437-E1441 WeakPolarHBondContact CG1-OE1 3.21Å; V1437-E1441 WeakPolarHBondContact O-CB 3.49Å; V1437-E1441 WeakPolarHBondContact O-CG 3.29Å; V1437-E1441 PolarHBondContact O-N 2.98Å |
| 1438 | Q | 80.5 | Confident | 81.1 | Confident | 104 Ų | 104 | 97.7 Ų | 97.7 | 49% | 0.486 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -61.1 | -48.4 | 171 | -74.8 | 171.6 | -51.4 | 0 | 0 | 110.4 | K1434 Q1435 R1440 E1441 E1442 | K1434-Q1438 VanDerWaalsContact O-CB 3.3Å; K1434-Q1438 WeakPolarHBondContact O-CB 3.16Å; K1434-Q1438 VanDerWaalsContact O-CG 3.22Å; K1434-Q1438 WeakPolarHBondContact O-CG 3.19Å; K1434-Q1438 PolarHBondContact O-N 2.96Å; K1434-Q1438 PolarHBondContact O-OE1 3.07Å; Q1435-Q1438 PolarHBondContact O-N 3.16Å; Q1438-R1440 PolarHBondContact O-N 2.92Å; Q1438-E1441 CarbonylContact O-C 3.56Å; Q1438-E1441 PolarHBondContact O-N 3.38Å; Q1438-E1442 WeakPolarHBondContact O-CA 3.39Å; Q1438-E1442 WeakPolarHBondContact O-CB 2.83Å; Q1438-E1442 VanDerWaalsContact O-CG 3.24Å; Q1438-E1442 WeakPolarHBondContact O-CG 3.2Å; Q1438-E1442 PolarHBondContact O-N 3.21Å |
| 1439 | F | 82.3 | Confident | 81.6 | Confident | 113 Ų | 113 | 99.2 Ų | 99.2 | 50% | 0.496 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -65.2 | -19.2 | 171.3 | -63.8 | -39.6 | 0 | 0 | 0 | 113 | Q1435 I1436 E1442 N1443 | Q1435-F1439 HydrophobicContact CB-CD2 4.33Å; Q1435-F1439 HydrophobicContact CB-CE2 4.08Å; Q1435-F1439 WeakPolarHBondContact O-CA 3.46Å; Q1435-F1439 WeakPolarHBondContact O-CB 3.34Å; Q1435-F1439 WeakPolarHBondContact O-CD2 3.34Å; Q1435-F1439 WeakPolarHBondContact O-CG 3.45Å; Q1435-F1439 PolarHBondContact O-N 3.2Å; I1436-F1439 CarbonylContact O-C 3.58Å; F1439-E1442 WeakPolarHBondContact CD1-OE2 3.47Å; F1439-N1443 WeakPolarHBondContact O-CA 3.07Å; F1439-N1443 WeakPolarHBondContact O-CB 3.22Å; F1439-N1443 VanDerWaalsContact O-CG 3.25Å; F1439-N1443 PolarHBondContact O-N 3.28Å; F1439-N1443 PolarHBondContact O-ND2 3.23Å |
| 1440 | R | 81.8 | Confident | 81.9 | Confident | 172 Ų | 172 | 99.5 Ų | 99.5 | 65% | 0.649 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -87.2 | -31.5 | 171.6 | -82.7 | 167.8 | -176.8 | -170.3 | 3.2 | 112.3 | I1436 V1437 Q1438 A1444 | I1436-R1440 HydrophobicContact CG2-CG 4.42Å; I1436-R1440 WeakPolarHBondContact O-CB 3.48Å; I1436-R1440 WeakPolarHBondContact O-CD 3.47Å; I1436-R1440 WeakPolarHBondContact O-CG 3.34Å; I1436-R1440 PolarHBondContact O-N 2.96Å; V1437-R1440 CarbonylContact O-C 3.54Å; V1437-R1440 WeakPolarHBondContact O-CA 3.31Å; V1437-R1440 PolarHBondContact O-N 2.83Å; Q1438-R1440 PolarHBondContact O-N 2.92Å; R1440-A1444 WeakPolarHBondContact O-CA 3.35Å; R1440-A1444 WeakPolarHBondContact O-CB 3.44Å; R1440-A1444 PolarHBondContact O-N 3.49Å |
| 1441 | E | 82.3 | Confident | 82.4 | Confident | 104 Ų | 104 | 97.6 Ų | 97.6 | 49% | 0.486 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -74.6 | -38.2 | 171.9 | -74.2 | 174.3 | -158.3 | 0 | 0 | 110.1 | V1437 Q1438 A1444 R1445 | V1437-E1441 HydrophobicContact CG1-CG 4.39Å; V1437-E1441 VanDerWaalsContact CG1-OE1 3.28Å; V1437-E1441 WeakPolarHBondContact CG1-OE1 3.21Å; V1437-E1441 WeakPolarHBondContact O-CB 3.49Å; V1437-E1441 WeakPolarHBondContact O-CG 3.29Å; V1437-E1441 PolarHBondContact O-N 2.98Å; Q1438-E1441 CarbonylContact O-C 3.56Å; Q1438-E1441 PolarHBondContact O-N 3.38Å; E1441-A1444 CarbonylContact O-C 3.6Å; E1441-A1444 PolarHBondContact O-N 2.97Å; E1441-R1445 VanDerWaalsContact O-CB 3.28Å; E1441-R1445 WeakPolarHBondContact O-CB 3.4Å; E1441-R1445 WeakPolarHBondContact O-CG 3.4Å; E1441-R1445 PolarHBondContact O-N 3.49Å |
| 1442 | E | 83.7 | Confident | 82.8 | Confident | 95 Ų | 95 | 98.9 Ų | 98.9 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -68.8 | -46.4 | 168.1 | -71.5 | 169.2 | -168.2 | 0 | 0 | 110.4 | Q1438 F1439 A1444 R1445 L1446 | Q1438-E1442 WeakPolarHBondContact O-CA 3.39Å; Q1438-E1442 WeakPolarHBondContact O-CB 2.83Å; Q1438-E1442 VanDerWaalsContact O-CG 3.24Å; Q1438-E1442 WeakPolarHBondContact O-CG 3.2Å; Q1438-E1442 PolarHBondContact O-N 3.21Å; F1439-E1442 WeakPolarHBondContact CD1-OE2 3.47Å; E1442-A1444 VanDerWaalsContact C-N 3.26Å; E1442-A1444 PolarHBondContact O-N 3.45Å; E1442-R1445 PolarHBondContact O-N 3.06Å; E1442-L1446 WeakPolarHBondContact O-CA 3.23Å; E1442-L1446 WeakPolarHBondContact O-CB 3.14Å; E1442-L1446 WeakPolarHBondContact O-CG 3.43Å; E1442-L1446 PolarHBondContact O-N 3Å |
| 1443 | N | 80.3 | Confident | 83 | Confident | 101 Ų | 101 | 100.4 Ų | 100.4 | 54% | 0.54 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -63.6 | -31.3 | 170.8 | -86.1 | -68.3 | 0 | 0 | 0 | 111.9 | F1439 Q1447 | F1439-N1443 WeakPolarHBondContact O-CA 3.07Å; F1439-N1443 WeakPolarHBondContact O-CB 3.22Å; F1439-N1443 VanDerWaalsContact O-CG 3.25Å; F1439-N1443 PolarHBondContact O-N 3.28Å; F1439-N1443 PolarHBondContact O-ND2 3.23Å; N1443-Q1447 WeakPolarHBondContact O-CA 3.37Å; N1443-Q1447 WeakPolarHBondContact O-CB 3.44Å; N1443-Q1447 PolarHBondContact O-N 3.14Å |
| 1444 | A | 82 | Confident | 83.2 | Confident | 55 Ų | 55 | 99.8 Ų | 99.8 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -76.3 | -33.2 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.5 | R1440 E1441 E1442 S1448 | R1440-A1444 WeakPolarHBondContact O-CA 3.35Å; R1440-A1444 WeakPolarHBondContact O-CB 3.44Å; R1440-A1444 PolarHBondContact O-N 3.49Å; E1441-A1444 CarbonylContact O-C 3.6Å; E1441-A1444 PolarHBondContact O-N 2.97Å; E1442-A1444 VanDerWaalsContact C-N 3.26Å; E1442-A1444 PolarHBondContact O-N 3.45Å; A1444-S1448 WeakPolarHBondContact O-CB 3.43Å; A1444-S1448 PolarHBondContact O-N 2.93Å |
| 1445 | R | 83 | Confident | 83.3 | Confident | 165 Ų | 165 | 95.4 Ų | 95.4 | 62% | 0.623 | 48% | 0.483 | S | S | * | . | H | α-helix | trans | -67.6 | -55.6 | 169.5 | -76.4 | 170.1 | -171.8 | -154.7 | 4.7 | 109.8 | E1441 E1442 Q1447 S1448 E1449 | E1441-R1445 VanDerWaalsContact O-CB 3.28Å; E1441-R1445 WeakPolarHBondContact O-CB 3.4Å; E1441-R1445 WeakPolarHBondContact O-CG 3.4Å; E1441-R1445 PolarHBondContact O-N 3.49Å; E1442-R1445 PolarHBondContact O-N 3.06Å; R1445-Q1447 PolarHBondContact O-N 3.33Å; R1445-S1448 CarbonylContact O-C 3.5Å; R1445-S1448 WeakPolarHBondContact O-CA 3.39Å; R1445-S1448 WeakPolarHBondContact O-CB 3.48Å; R1445-S1448 PolarHBondContact O-N 2.66Å; R1445-E1449 VanDerWaalsContact O-CB 3.31Å; R1445-E1449 WeakPolarHBondContact O-CB 3.41Å; R1445-E1449 VanDerWaalsContact O-CG 3.3Å; R1445-E1449 WeakPolarHBondContact O-CG 3.34Å; R1445-E1449 PolarHBondContact O-N 2.83Å |
| 1446 | L | 83.3 | Confident | 83.4 | Confident | 100 Ų | 100 | 94 Ų | 94 | 52% | 0.524 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -58.7 | -28.2 | 173.7 | -67.9 | 170 | 0 | 0 | 0 | 112.8 | E1442 L1450 | E1442-L1446 WeakPolarHBondContact O-CA 3.23Å; E1442-L1446 WeakPolarHBondContact O-CB 3.14Å; E1442-L1446 WeakPolarHBondContact O-CG 3.43Å; E1442-L1446 PolarHBondContact O-N 3Å; L1446-L1450 WeakPolarHBondContact O-CA 3.48Å; L1446-L1450 WeakPolarHBondContact O-CB 3.42Å; L1446-L1450 PolarHBondContact O-N 3.39Å |
| 1447 | Q | 88 | Confident | 83.7 | Confident | 117 Ų | 117 | 93.8 Ų | 93.8 | 55% | 0.547 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -85.6 | -28.7 | 173.8 | -172.4 | 171 | 14.6 | 0 | 0 | 112.1 | N1443 R1445 N1451 | N1443-Q1447 WeakPolarHBondContact O-CA 3.37Å; N1443-Q1447 WeakPolarHBondContact O-CB 3.44Å; N1443-Q1447 PolarHBondContact O-N 3.14Å; R1445-Q1447 PolarHBondContact O-N 3.33Å; Q1447-N1451 WeakPolarHBondContact O-CB 3.45Å; Q1447-N1451 PolarHBondContact O-N 3Å; Q1447-N1451 PolarHBondContact O-ND2 3.2Å; Q1447-N1451 PolarHBondContact O-OD1 3.09Å |
| 1448 | S | 79.4 | Confident | 83.8 | Confident | 77 Ų | 77 | 94.9 Ų | 94.9 | 54% | 0.538 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.2 | -39.2 | 167.5 | -170.3 | 0 | 0 | 0 | 0 | 110.9 | A1444 R1445 N1451 S1452 | A1444-S1448 WeakPolarHBondContact O-CB 3.43Å; A1444-S1448 PolarHBondContact O-N 2.93Å; R1445-S1448 CarbonylContact O-C 3.5Å; R1445-S1448 WeakPolarHBondContact O-CA 3.39Å; R1445-S1448 WeakPolarHBondContact O-CB 3.48Å; R1445-S1448 PolarHBondContact O-N 2.66Å; S1448-N1451 CarbonylContact O-C 3.59Å; S1448-N1451 PolarHBondContact O-N 3.34Å; S1448-S1452 WeakPolarHBondContact O-CB 3.25Å; S1448-S1452 PolarHBondContact O-N 2.92Å; S1448-S1452 PolarHBondContact O-OG 2.87Å |
| 1449 | E | 86.2 | Confident | 84 | Confident | 98 Ų | 98 | 96.4 Ų | 96.4 | 46% | 0.458 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -69.8 | -40.4 | 171.2 | -71.7 | 166 | -152.1 | 0 | 0 | 111.2 | R1445 N1451 S1452 L1453 | R1445-E1449 VanDerWaalsContact O-CB 3.31Å; R1445-E1449 WeakPolarHBondContact O-CB 3.41Å; R1445-E1449 VanDerWaalsContact O-CG 3.3Å; R1445-E1449 WeakPolarHBondContact O-CG 3.34Å; R1445-E1449 PolarHBondContact O-N 2.83Å; E1449-N1451 VanDerWaalsContact C-N 3.3Å; E1449-N1451 PolarHBondContact O-N 3.17Å; E1449-S1452 WeakPolarHBondContact CA-OG 3.43Å; E1449-S1452 PolarHBondContact O-N 3.08Å; E1449-S1452 PolarHBondContact O-OG 3.28Å; E1449-S1452 VanDerWaalsContact O-OG 3.13Å; E1449-L1453 WeakPolarHBondContact O-CA 3.48Å; E1449-L1453 WeakPolarHBondContact O-CB 3.33Å; E1449-L1453 WeakPolarHBondContact O-CD1 3.49Å; E1449-L1453 WeakPolarHBondContact O-CG 3.33Å; E1449-L1453 PolarHBondContact O-N 3.39Å |
| 1450 | L | 84.6 | Confident | 84.1 | Confident | 97 Ų | 97 | 96.5 Ų | 96.5 | 51% | 0.508 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -66.9 | -33.6 | 170.9 | -168.3 | 100 | 0 | 0 | 0 | 110.5 | L1446 N1454 | L1446-L1450 WeakPolarHBondContact O-CA 3.48Å; L1446-L1450 WeakPolarHBondContact O-CB 3.42Å; L1446-L1450 PolarHBondContact O-N 3.39Å; L1450-N1454 WeakPolarHBondContact O-CA 3.5Å; L1450-N1454 WeakPolarHBondContact O-CB 3.38Å; L1450-N1454 PolarHBondContact O-N 3.1Å; L1450-N1454 PolarHBondContact O-ND2 2.77Å |
| 1451 | N | 88 | Confident | 84.3 | Confident | 95 Ų | 95 | 95.4 Ų | 95.4 | 51% | 0.508 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -73.8 | -35.7 | 175.2 | -74.8 | -18.6 | 0 | 0 | 0 | 111.8 | Q1447 S1448 E1449 N1454 A1455 | Q1447-N1451 WeakPolarHBondContact O-CB 3.45Å; Q1447-N1451 PolarHBondContact O-N 3Å; Q1447-N1451 PolarHBondContact O-ND2 3.2Å; Q1447-N1451 PolarHBondContact O-OD1 3.09Å; S1448-N1451 CarbonylContact O-C 3.59Å; S1448-N1451 PolarHBondContact O-N 3.34Å; E1449-N1451 VanDerWaalsContact C-N 3.3Å; E1449-N1451 PolarHBondContact O-N 3.17Å; N1451-N1454 PolarHBondContact O-N 3Å; N1451-A1455 VanDerWaalsContact O-CB 3.28Å; N1451-A1455 WeakPolarHBondContact O-CB 3.48Å; N1451-A1455 PolarHBondContact O-N 3.35Å |
| 1452 | S | 85.7 | Confident | 84.4 | Confident | 58 Ų | 58 | 95.7 Ų | 95.7 | 41% | 0.406 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -75.7 | -40.2 | 175.4 | 75.1 | 0 | 0 | 0 | 0 | 111.2 | S1448 E1449 N1454 A1455 I1456 | S1448-S1452 WeakPolarHBondContact O-CB 3.25Å; S1448-S1452 PolarHBondContact O-N 2.92Å; S1448-S1452 PolarHBondContact O-OG 2.87Å; E1449-S1452 WeakPolarHBondContact CA-OG 3.43Å; E1449-S1452 PolarHBondContact O-N 3.08Å; E1449-S1452 PolarHBondContact O-OG 3.28Å; E1449-S1452 VanDerWaalsContact O-OG 3.13Å; S1452-N1454 VanDerWaalsContact C-N 3.33Å; S1452-A1455 PolarHBondContact O-N 3.41Å; S1452-I1456 WeakPolarHBondContact O-CB 3.31Å; S1452-I1456 WeakPolarHBondContact O-CD1 3.27Å; S1452-I1456 WeakPolarHBondContact O-CG1 3.24Å; S1452-I1456 PolarHBondContact O-N 3.17Å |
| 1453 | L | 85.2 | Confident | 84.4 | Confident | 108 Ų | 108 | 95.6 Ų | 95.6 | 57% | 0.565 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -65 | -33.2 | 168.1 | -73.2 | 166.5 | 0 | 0 | 0 | 111.7 | E1449 L1457 | E1449-L1453 WeakPolarHBondContact O-CA 3.48Å; E1449-L1453 WeakPolarHBondContact O-CB 3.33Å; E1449-L1453 WeakPolarHBondContact O-CD1 3.49Å; E1449-L1453 WeakPolarHBondContact O-CG 3.33Å; E1449-L1453 PolarHBondContact O-N 3.39Å; L1453-L1457 WeakPolarHBondContact O-CA 3.3Å; L1453-L1457 WeakPolarHBondContact O-CB 3.27Å; L1453-L1457 PolarHBondContact O-N 2.79Å |
| 1454 | N | 84.3 | Confident | 84.6 | Confident | 67 Ų | 67 | 97.4 Ų | 97.4 | 36% | 0.358 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -72.3 | -38.3 | 170.7 | -83.4 | -42.4 | 0 | 0 | 0 | 111.1 | L1450 N1451 S1452 L1457 T1458 | L1450-N1454 WeakPolarHBondContact O-CA 3.5Å; L1450-N1454 WeakPolarHBondContact O-CB 3.38Å; L1450-N1454 PolarHBondContact O-N 3.1Å; L1450-N1454 PolarHBondContact O-ND2 2.77Å; N1451-N1454 PolarHBondContact O-N 3Å; S1452-N1454 VanDerWaalsContact C-N 3.33Å; N1454-L1457 CarbonylContact O-C 3.58Å; N1454-L1457 PolarHBondContact O-N 2.77Å; N1454-T1458 WeakPolarHBondContact O-CB 3.39Å; N1454-T1458 WeakPolarHBondContact O-CG2 3.22Å; N1454-T1458 PolarHBondContact O-N 3.34Å; N1454-T1458 PolarHBondContact O-OG1 3.4Å |
| 1455 | A | 83.5 | Confident | 84.7 | Confident | 41 Ų | 41 | 97.7 Ų | 97.7 | 34% | 0.339 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -64.7 | -41.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | N1451 S1452 T1458 R1459 | N1451-A1455 VanDerWaalsContact O-CB 3.28Å; N1451-A1455 WeakPolarHBondContact O-CB 3.48Å; N1451-A1455 PolarHBondContact O-N 3.35Å; S1452-A1455 PolarHBondContact O-N 3.41Å; A1455-T1458 WeakPolarHBondContact CA-OG1 3.45Å; A1455-T1458 PolarHBondContact O-OG1 2.86Å; A1455-R1459 VanDerWaalsContact O-CB 3.3Å; A1455-R1459 WeakPolarHBondContact O-CB 3.41Å; A1455-R1459 PolarHBondContact O-N 2.73Å |
| 1456 | I | 83.7 | Confident | 84.8 | Confident | 76 Ų | 76 | 92 Ų | 92 | 39% | 0.39 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -63.9 | -51 | 170.8 | -68.1 | 161.4 | 0 | 0 | 0 | 109.6 | S1452 T1458 R1459 E1460 | S1452-I1456 WeakPolarHBondContact O-CB 3.31Å; S1452-I1456 WeakPolarHBondContact O-CD1 3.27Å; S1452-I1456 WeakPolarHBondContact O-CG1 3.24Å; S1452-I1456 PolarHBondContact O-N 3.17Å; I1456-T1458 VanDerWaalsContact C-N 3.3Å; I1456-T1458 PolarHBondContact O-N 2.8Å; I1456-R1459 CarbonylContact O-C 3.59Å; I1456-R1459 WeakPolarHBondContact O-CA 3.46Å; I1456-R1459 WeakPolarHBondContact O-CB 3.38Å; I1456-R1459 PolarHBondContact O-N 3.42Å; I1456-E1460 HydrophobicContact CG2-CG 4.04Å; I1456-E1460 VanDerWaalsContact O-CB 3.32Å; I1456-E1460 WeakPolarHBondContact O-CB 3.47Å; I1456-E1460 VanDerWaalsContact O-CG 3.29Å; I1456-E1460 WeakPolarHBondContact O-CG 3.24Å; I1456-E1460 PolarHBondContact O-N 3.15Å |
| 1457 | L | 87.3 | Confident | 84.7 | Confident | 71 Ų | 71 | 91.8 Ų | 91.8 | 37% | 0.372 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -62.7 | -31.7 | 179 | -179.9 | 62.3 | 0 | 0 | 0 | 112.8 | L1453 N1454 R1461 | L1453-L1457 WeakPolarHBondContact O-CA 3.3Å; L1453-L1457 WeakPolarHBondContact O-CB 3.27Å; L1453-L1457 PolarHBondContact O-N 2.79Å; N1454-L1457 CarbonylContact O-C 3.58Å; N1454-L1457 PolarHBondContact O-N 2.77Å; L1457-R1461 HydrophobicContact CD1-CG 4.44Å; L1457-R1461 WeakPolarHBondContact O-CB 3.33Å; L1457-R1461 WeakPolarHBondContact O-CD 3.43Å; L1457-R1461 WeakPolarHBondContact O-CG 3.46Å; L1457-R1461 PolarHBondContact O-N 3.41Å |
| 1458 | T | 84.5 | Confident | 84.5 | Confident | 78 Ų | 78 | 90 Ų | 90 | 48% | 0.479 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -75.2 | -34.1 | 171.4 | 50.6 | 0 | 0 | 0 | 0 | 111.9 | N1454 A1455 I1456 R1461 H1462 | N1454-T1458 WeakPolarHBondContact O-CB 3.39Å; N1454-T1458 WeakPolarHBondContact O-CG2 3.22Å; N1454-T1458 PolarHBondContact O-N 3.34Å; N1454-T1458 PolarHBondContact O-OG1 3.4Å; A1455-T1458 WeakPolarHBondContact CA-OG1 3.45Å; A1455-T1458 PolarHBondContact O-OG1 2.86Å; I1456-T1458 VanDerWaalsContact C-N 3.3Å; I1456-T1458 PolarHBondContact O-N 2.8Å; T1458-R1461 PolarHBondContact O-N 3.05Å; T1458-H1462 VanDerWaalsContact O-CB 3.27Å; T1458-H1462 WeakPolarHBondContact O-CB 3.42Å; T1458-H1462 PolarHBondContact O-N 3.02Å |
| 1459 | R | 85.4 | Confident | 84.7 | Confident | 137 Ų | 137 | 90.7 Ų | 90.7 | 52% | 0.517 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -67.6 | -50.1 | 173 | -163.1 | -172.4 | -63.3 | 103.2 | 2.2 | 110.7 | A1455 I1456 R1461 H1462 E1463 | A1455-R1459 VanDerWaalsContact O-CB 3.3Å; A1455-R1459 WeakPolarHBondContact O-CB 3.41Å; A1455-R1459 PolarHBondContact O-N 2.73Å; I1456-R1459 CarbonylContact O-C 3.59Å; I1456-R1459 WeakPolarHBondContact O-CA 3.46Å; I1456-R1459 WeakPolarHBondContact O-CB 3.38Å; I1456-R1459 PolarHBondContact O-N 3.42Å; R1459-R1461 VanDerWaalsContact C-N 3.34Å; R1459-R1461 PolarHBondContact O-N 2.7Å; R1459-H1462 CarbonylContact O-C 3.58Å; R1459-H1462 WeakPolarHBondContact O-CA 3.38Å; R1459-H1462 WeakPolarHBondContact O-CB 3.29Å; R1459-H1462 PolarHBondContact O-N 3.32Å; R1459-E1463 WeakPolarHBondContact CD-OE1 3.24Å; R1459-E1463 VanDerWaalsContact CG-OE1 3.31Å; R1459-E1463 WeakPolarHBondContact CG-OE1 3.36Å; R1459-E1463 WeakPolarHBondContact O-CB 3.48Å; R1459-E1463 WeakPolarHBondContact O-CG 3.49Å; R1459-E1463 PolarHBondContact O-N 3.43Å |
| 1460 | E | 83.7 | Confident | 84.6 | Confident | 115 Ų | 115 | 93.3 Ų | 93.3 | 54% | 0.537 | 46% | 0.458 | S | S | . | . | H | α-helix | trans | -56.1 | -40.7 | 170.1 | -73.3 | -73.6 | 164.9 | 0 | 0 | 112.7 | I1456 K1464 | I1456-E1460 HydrophobicContact CG2-CG 4.04Å; I1456-E1460 VanDerWaalsContact O-CB 3.32Å; I1456-E1460 WeakPolarHBondContact O-CB 3.47Å; I1456-E1460 VanDerWaalsContact O-CG 3.29Å; I1456-E1460 WeakPolarHBondContact O-CG 3.24Å; I1456-E1460 PolarHBondContact O-N 3.15Å; E1460-K1464 WeakPolarHBondContact O-CB 3.28Å; E1460-K1464 PolarHBondContact O-N 2.92Å |
| 1461 | R | 86.3 | Confident | 84.5 | Confident | 149 Ų | 149 | 91.8 Ų | 91.8 | 56% | 0.562 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -66 | -39.5 | 172.2 | -80.2 | 166.7 | -178 | -177.3 | 2.5 | 111.6 | L1457 T1458 R1459 K1464 T1465 | L1457-R1461 HydrophobicContact CD1-CG 4.44Å; L1457-R1461 WeakPolarHBondContact O-CB 3.33Å; L1457-R1461 WeakPolarHBondContact O-CD 3.43Å; L1457-R1461 WeakPolarHBondContact O-CG 3.46Å; L1457-R1461 PolarHBondContact O-N 3.41Å; T1458-R1461 PolarHBondContact O-N 3.05Å; R1459-R1461 VanDerWaalsContact C-N 3.34Å; R1459-R1461 PolarHBondContact O-N 2.7Å; R1461-K1464 CarbonylContact O-C 3.55Å; R1461-K1464 PolarHBondContact O-N 3.17Å; R1461-T1465 WeakPolarHBondContact O-CG2 3.42Å; R1461-T1465 PolarHBondContact O-N 2.79Å; R1461-T1465 PolarHBondContact O-OG1 3.27Å |
| 1462 | H | 84.6 | Confident | 84.4 | Confident | 109 Ų | 109 | 94 Ų | 94 | 51% | 0.505 | 45% | 0.452 | S | S | . | . | H | α-helix | trans | -71.6 | -42.6 | 178.5 | -174.8 | 46.8 | 0 | 0 | 0 | 111.6 | T1458 R1459 K1464 T1465 N1466 | T1458-H1462 VanDerWaalsContact O-CB 3.27Å; T1458-H1462 WeakPolarHBondContact O-CB 3.42Å; T1458-H1462 PolarHBondContact O-N 3.02Å; R1459-H1462 CarbonylContact O-C 3.58Å; R1459-H1462 WeakPolarHBondContact O-CA 3.38Å; R1459-H1462 WeakPolarHBondContact O-CB 3.29Å; R1459-H1462 PolarHBondContact O-N 3.32Å; H1462-K1464 VanDerWaalsContact C-N 3.31Å; H1462-K1464 PolarHBondContact O-N 3.2Å; H1462-T1465 WeakPolarHBondContact CA-OG1 3.41Å; H1462-T1465 PolarHBondContact O-N 3.23Å; H1462-T1465 VanDerWaalsContact O-N 3.15Å; H1462-T1465 PolarHBondContact O-OG1 3.33Å; H1462-N1466 PolarHBondContact CD2-ND2 3.06Å; H1462-N1466 PolarHBondContact CE1-ND2 3.29Å; H1462-N1466 VanDerWaalsContact CE1-ND2 3.29Å; H1462-N1466 PolarHBondContact CE1-OD1 2.98Å; H1462-N1466 PolarHBondContact ND1-OD1 3.22Å; H1462-N1466 PolarHBondContact NE2-ND2 2.87Å; H1462-N1466 WeakPolarHBondContact O-CB 3.15Å; H1462-N1466 PolarHBondContact O-N 3.11Å; H1462-N1466 PolarHBondContact O-ND2 3.25Å; H1462-N1466 PolarHBondContact O-OD1 3.27Å; H1462-N1466 VanDerWaalsContact O-OD1 3.05Å |
| 1463 | E | 84.4 | Confident | 84.4 | Confident | 93 Ų | 93 | 96.5 Ų | 96.5 | 44% | 0.435 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -61.5 | -41.5 | 170.8 | -71.9 | 178.3 | -142 | 0 | 0 | 110.2 | R1459 T1465 N1466 I1467 | R1459-E1463 WeakPolarHBondContact CD-OE1 3.24Å; R1459-E1463 VanDerWaalsContact CG-OE1 3.31Å; R1459-E1463 WeakPolarHBondContact CG-OE1 3.36Å; R1459-E1463 WeakPolarHBondContact O-CB 3.48Å; R1459-E1463 WeakPolarHBondContact O-CG 3.49Å; R1459-E1463 PolarHBondContact O-N 3.43Å; E1463-T1465 PolarHBondContact O-N 2.83Å; E1463-N1466 CarbonylContact O-C 3.53Å; E1463-N1466 PolarHBondContact O-N 3.48Å; E1463-I1467 VanDerWaalsContact O-CB 3.24Å; E1463-I1467 WeakPolarHBondContact O-CB 3.35Å; E1463-I1467 WeakPolarHBondContact O-CD1 3.36Å; E1463-I1467 WeakPolarHBondContact O-CG1 3.24Å; E1463-I1467 PolarHBondContact O-N 3.06Å |
| 1464 | K | 83.8 | Confident | 84.3 | Confident | 140 Ų | 140 | 96 Ų | 96 | 61% | 0.609 | 45% | 0.454 | S | S | * | . | H | α-helix | trans | -64 | -36.9 | 171.2 | -174 | 169.4 | -176.8 | 169.2 | 0 | 113.1 | E1460 R1461 H1462 L1468 | E1460-K1464 WeakPolarHBondContact O-CB 3.28Å; E1460-K1464 PolarHBondContact O-N 2.92Å; R1461-K1464 CarbonylContact O-C 3.55Å; R1461-K1464 PolarHBondContact O-N 3.17Å; H1462-K1464 VanDerWaalsContact C-N 3.31Å; H1462-K1464 PolarHBondContact O-N 3.2Å; K1464-L1468 HydrophobicContact CG-CD1 4.11Å; K1464-L1468 HydrophobicContact CG-CG 4.47Å; K1464-L1468 VanDerWaalsContact O-CB 3.24Å; K1464-L1468 WeakPolarHBondContact O-CB 3.39Å; K1464-L1468 WeakPolarHBondContact O-CD1 3.28Å; K1464-L1468 WeakPolarHBondContact O-CG 3.43Å; K1464-L1468 PolarHBondContact O-N 3.44Å |
| 1465 | T | 83.9 | Confident | 84.4 | Confident | 61 Ų | 61 | 100.1 Ų | 100.1 | 37% | 0.374 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68 | -41.1 | 171.5 | 51.5 | 0 | 0 | 0 | 0 | 111.3 | R1461 H1462 E1463 I1467 L1468 E1469 | R1461-T1465 WeakPolarHBondContact O-CG2 3.42Å; R1461-T1465 PolarHBondContact O-N 2.79Å; R1461-T1465 PolarHBondContact O-OG1 3.27Å; H1462-T1465 WeakPolarHBondContact CA-OG1 3.41Å; H1462-T1465 PolarHBondContact O-N 3.23Å; H1462-T1465 VanDerWaalsContact O-N 3.15Å; H1462-T1465 PolarHBondContact O-OG1 3.33Å; E1463-T1465 PolarHBondContact O-N 2.83Å; T1465-I1467 VanDerWaalsContact C-N 3.32Å; T1465-I1467 PolarHBondContact O-N 2.78Å; T1465-L1468 CarbonylContact O-C 3.57Å; T1465-L1468 PolarHBondContact O-N 3.05Å; T1465-L1468 VanDerWaalsContact O-N 3.15Å; T1465-E1469 WeakPolarHBondContact O-CB 3.21Å; T1465-E1469 WeakPolarHBondContact O-CG 3.27Å; T1465-E1469 PolarHBondContact O-N 3.04Å |
| 1466 | N | 84.6 | Confident | 84.6 | Confident | 45 Ų | 45 | 103.4 Ų | 103.4 | 24% | 0.241 | 47% | 0.472 | C | S | . | . | H | α-helix | trans | -70.1 | -29.9 | -179.7 | -60.7 | -6.9 | 0 | 0 | 0 | 111.8 | H1462 E1463 R1470 | H1462-N1466 PolarHBondContact CD2-ND2 3.06Å; H1462-N1466 PolarHBondContact CE1-ND2 3.29Å; H1462-N1466 VanDerWaalsContact CE1-ND2 3.29Å; H1462-N1466 PolarHBondContact CE1-OD1 2.98Å; H1462-N1466 PolarHBondContact ND1-OD1 3.22Å; H1462-N1466 PolarHBondContact NE2-ND2 2.87Å; H1462-N1466 WeakPolarHBondContact O-CB 3.15Å; H1462-N1466 PolarHBondContact O-N 3.11Å; H1462-N1466 PolarHBondContact O-ND2 3.25Å; H1462-N1466 PolarHBondContact O-OD1 3.27Å; H1462-N1466 VanDerWaalsContact O-OD1 3.05Å; E1463-N1466 CarbonylContact O-C 3.53Å; E1463-N1466 PolarHBondContact O-N 3.48Å; N1466-R1470 WeakPolarHBondContact O-CB 3.35Å; N1466-R1470 WeakPolarHBondContact O-CG 3.15Å; N1466-R1470 PolarHBondContact O-N 2.86Å |
| 1467 | I | 82.4 | Confident | 84.7 | Confident | 95 Ų | 95 | 105.8 Ų | 105.8 | 49% | 0.487 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -76.2 | -39 | 170.4 | -71.2 | 164.7 | 0 | 0 | 0 | 110.2 | E1463 T1465 E1469 N1471 | E1463-I1467 VanDerWaalsContact O-CB 3.24Å; E1463-I1467 WeakPolarHBondContact O-CB 3.35Å; E1463-I1467 WeakPolarHBondContact O-CD1 3.36Å; E1463-I1467 WeakPolarHBondContact O-CG1 3.24Å; E1463-I1467 PolarHBondContact O-N 3.06Å; T1465-I1467 VanDerWaalsContact C-N 3.32Å; T1465-I1467 PolarHBondContact O-N 2.78Å; I1467-E1469 VanDerWaalsContact C-N 3.32Å; I1467-N1471 WeakPolarHBondContact O-CB 3.45Å; I1467-N1471 PolarHBondContact O-N 2.92Å; I1467-N1471 PolarHBondContact O-ND2 3.27Å |
| 1468 | L | 83.9 | Confident | 84.6 | Confident | 80 Ų | 80 | 106.4 Ų | 106.4 | 42% | 0.419 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -67.1 | -33.4 | 173.2 | -77.5 | 169.2 | 0 | 0 | 0 | 112 | K1464 T1465 N1471 R1472 | K1464-L1468 HydrophobicContact CG-CD1 4.11Å; K1464-L1468 HydrophobicContact CG-CG 4.47Å; K1464-L1468 VanDerWaalsContact O-CB 3.24Å; K1464-L1468 WeakPolarHBondContact O-CB 3.39Å; K1464-L1468 WeakPolarHBondContact O-CD1 3.28Å; K1464-L1468 WeakPolarHBondContact O-CG 3.43Å; K1464-L1468 PolarHBondContact O-N 3.44Å; T1465-L1468 CarbonylContact O-C 3.57Å; T1465-L1468 PolarHBondContact O-N 3.05Å; T1465-L1468 VanDerWaalsContact O-N 3.15Å; L1468-N1471 CarbonylContact O-C 3.6Å; L1468-N1471 PolarHBondContact O-N 3.11Å; L1468-R1472 WeakPolarHBondContact O-CG 3.43Å; L1468-R1472 PolarHBondContact O-N 3.03Å |
| 1469 | E | 83.2 | Confident | 84.6 | Confident | 91 Ų | 91 | 106.8 Ų | 106.8 | 43% | 0.425 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -73.6 | -46 | 174.7 | -77.2 | 168.7 | -176 | 0 | 0 | 111.1 | T1465 I1467 N1471 R1472 E1473 | T1465-E1469 WeakPolarHBondContact O-CB 3.21Å; T1465-E1469 WeakPolarHBondContact O-CG 3.27Å; T1465-E1469 PolarHBondContact O-N 3.04Å; I1467-E1469 VanDerWaalsContact C-N 3.32Å; E1469-N1471 PolarHBondContact O-N 3.06Å; E1469-R1472 CarbonylContact O-C 3.54Å; E1469-R1472 WeakPolarHBondContact O-CA 3.34Å; E1469-R1472 WeakPolarHBondContact O-CB 3.3Å; E1469-R1472 PolarHBondContact O-N 2.85Å; E1469-R1472 IonicContact OE1-NH1 3.64Å; E1469-E1473 WeakPolarHBondContact O-CG 3.1Å; E1469-E1473 PolarHBondContact O-N 3.13Å |
| 1470 | R | 83.2 | Confident | 84.7 | Confident | 153 Ų | 153 | 105.4 Ų | 105.4 | 58% | 0.577 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -55.6 | -36.9 | 165.5 | -80.8 | 176.7 | 169.8 | 74.5 | -2.2 | 112.4 | N1466 R1472 E1473 I1474 | N1466-R1470 WeakPolarHBondContact O-CB 3.35Å; N1466-R1470 WeakPolarHBondContact O-CG 3.15Å; N1466-R1470 PolarHBondContact O-N 2.86Å; R1470-R1472 VanDerWaalsContact C-N 3.31Å; R1470-R1472 PolarHBondContact O-N 3.42Å; R1470-E1473 PolarHBondContact O-N 3.49Å; R1470-I1474 VanDerWaalsContact O-CB 3.23Å; R1470-I1474 WeakPolarHBondContact O-CB 3.35Å; R1470-I1474 WeakPolarHBondContact O-CD1 3.47Å; R1470-I1474 WeakPolarHBondContact O-CG1 3.43Å; R1470-I1474 PolarHBondContact O-N 3.18Å |
| 1471 | N | 82.7 | Confident | 84.3 | Confident | 65 Ų | 65 | 102.6 Ų | 102.6 | 35% | 0.348 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -76.1 | -11.3 | 174.2 | -87.7 | -82.3 | 0 | 0 | 0 | 114.3 | I1467 L1468 E1469 R1475 | I1467-N1471 WeakPolarHBondContact O-CB 3.45Å; I1467-N1471 PolarHBondContact O-N 2.92Å; I1467-N1471 PolarHBondContact O-ND2 3.27Å; L1468-N1471 CarbonylContact O-C 3.6Å; L1468-N1471 PolarHBondContact O-N 3.11Å; E1469-N1471 PolarHBondContact O-N 3.06Å; N1471-R1475 WeakPolarHBondContact O-CB 3.32Å; N1471-R1475 WeakPolarHBondContact O-CG 3.48Å; N1471-R1475 PolarHBondContact O-NE 2.94Å |
| 1472 | R | 86.6 | Confident | 84.3 | Confident | 143 Ų | 143 | 100.6 Ų | 100.6 | 54% | 0.54 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -87.3 | -44.2 | 166.1 | -73.2 | 164.8 | -179.2 | 158.1 | -4.2 | 109.8 | L1468 E1469 R1470 R1475 H1476 | L1468-R1472 WeakPolarHBondContact O-CG 3.43Å; L1468-R1472 PolarHBondContact O-N 3.03Å; E1469-R1472 CarbonylContact O-C 3.54Å; E1469-R1472 WeakPolarHBondContact O-CA 3.34Å; E1469-R1472 WeakPolarHBondContact O-CB 3.3Å; E1469-R1472 PolarHBondContact O-N 2.85Å; E1469-R1472 IonicContact OE1-NH1 3.64Å; R1470-R1472 VanDerWaalsContact C-N 3.31Å; R1470-R1472 PolarHBondContact O-N 3.42Å; R1472-R1475 CarbonylContact O-C 3.59Å; R1472-R1475 WeakPolarHBondContact O-CA 3.49Å; R1472-R1475 PolarHBondContact O-N 2.85Å; R1472-R1475 VanDerWaalsContact O-N 3.14Å; R1472-H1476 PolarHBondContact O-CD2 3.18Å; R1472-H1476 VanDerWaalsContact O-CD2 3.24Å; R1472-H1476 PolarHBondContact O-N 3.04Å |
| 1473 | E | 85 | Confident | 84.4 | Confident | 110 Ų | 110 | 99.7 Ų | 99.7 | 51% | 0.514 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.8 | -47.4 | 175.1 | -67.9 | 178.3 | 126.3 | 0 | 0 | 111.6 | E1469 R1470 R1475 H1476 Q1477 | E1469-E1473 WeakPolarHBondContact O-CG 3.1Å; E1469-E1473 PolarHBondContact O-N 3.13Å; R1470-E1473 PolarHBondContact O-N 3.49Å; E1473-R1475 VanDerWaalsContact C-N 3.26Å; E1473-R1475 PolarHBondContact O-N 2.84Å; E1473-H1476 PolarHBondContact O-N 3.3Å; E1473-Q1477 WeakPolarHBondContact O-CB 3.49Å; E1473-Q1477 VanDerWaalsContact O-CG 3.26Å; E1473-Q1477 WeakPolarHBondContact O-CG 3.22Å; E1473-Q1477 PolarHBondContact O-N 2.83Å |
| 1474 | I | 83 | Confident | 84.7 | Confident | 97 Ų | 97 | 101.9 Ų | 101.9 | 50% | 0.497 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -63 | -33.7 | 173.2 | -68.6 | 165 | 0 | 0 | 0 | 110.8 | R1470 L1478 | R1470-I1474 VanDerWaalsContact O-CB 3.23Å; R1470-I1474 WeakPolarHBondContact O-CB 3.35Å; R1470-I1474 WeakPolarHBondContact O-CD1 3.47Å; R1470-I1474 WeakPolarHBondContact O-CG1 3.43Å; R1470-I1474 PolarHBondContact O-N 3.18Å; I1474-L1478 WeakPolarHBondContact O-CB 3.32Å; I1474-L1478 PolarHBondContact O-N 3.45Å |
| 1475 | R | 88 | Confident | 84.7 | Confident | 153 Ų | 153 | 99.3 Ų | 99.3 | 58% | 0.577 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -72.5 | -33.9 | 173.1 | -93.4 | -178.5 | -94 | -139.2 | -10.2 | 113.4 | N1471 R1472 E1473 Q1479 | N1471-R1475 WeakPolarHBondContact O-CB 3.32Å; N1471-R1475 WeakPolarHBondContact O-CG 3.48Å; N1471-R1475 PolarHBondContact O-NE 2.94Å; R1472-R1475 CarbonylContact O-C 3.59Å; R1472-R1475 WeakPolarHBondContact O-CA 3.49Å; R1472-R1475 PolarHBondContact O-N 2.85Å; R1472-R1475 VanDerWaalsContact O-N 3.14Å; E1473-R1475 VanDerWaalsContact C-N 3.26Å; E1473-R1475 PolarHBondContact O-N 2.84Å; R1475-Q1479 WeakPolarHBondContact O-CB 3.37Å; R1475-Q1479 PolarHBondContact O-N 3.25Å |
| 1476 | H | 85.6 | Confident | 84.9 | Confident | 110 Ų | 110 | 101.8 Ų | 101.8 | 51% | 0.509 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -71.8 | -40.6 | 172.3 | -73.2 | -49.2 | 0 | 0 | 0 | 111.2 | R1472 E1473 L1478 Q1479 D1480 | R1472-H1476 PolarHBondContact O-CD2 3.18Å; R1472-H1476 VanDerWaalsContact O-CD2 3.24Å; R1472-H1476 PolarHBondContact O-N 3.04Å; E1473-H1476 PolarHBondContact O-N 3.3Å; H1476-L1478 VanDerWaalsContact C-N 3.35Å; H1476-L1478 PolarHBondContact O-N 3.14Å; H1476-Q1479 PolarHBondContact O-N 2.78Å; H1476-D1480 VanDerWaalsContact O-CB 3.27Å; H1476-D1480 WeakPolarHBondContact O-CB 3.3Å; H1476-D1480 VanDerWaalsContact O-CG 3.26Å; H1476-D1480 PolarHBondContact O-N 3.14Å |
| 1477 | Q | 86.8 | Confident | 85 | Confident | 127 Ų | 127 | 104.8 Ų | 104.8 | 59% | 0.593 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -63.6 | -39.3 | 171.9 | -70 | 169.3 | 19.8 | 0 | 0 | 111.8 | E1473 S1481 | E1473-Q1477 WeakPolarHBondContact O-CB 3.49Å; E1473-Q1477 VanDerWaalsContact O-CG 3.26Å; E1473-Q1477 WeakPolarHBondContact O-CG 3.22Å; E1473-Q1477 PolarHBondContact O-N 2.83Å; Q1477-S1481 VanDerWaalsContact O-CB 3.29Å; Q1477-S1481 WeakPolarHBondContact O-CB 3.4Å; Q1477-S1481 PolarHBondContact O-N 3.37Å; Q1477-S1481 PolarHBondContact O-OG 3.19Å |
| 1478 | L | 84.6 | Confident | 85.1 | Confident | 84 Ų | 84 | 104.1 Ų | 104.1 | 44% | 0.44 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -63.3 | -51.3 | 171.9 | 179.8 | 63.4 | 0 | 0 | 0 | 110.2 | I1474 H1476 D1480 S1481 E1482 | I1474-L1478 WeakPolarHBondContact O-CB 3.32Å; I1474-L1478 PolarHBondContact O-N 3.45Å; H1476-L1478 VanDerWaalsContact C-N 3.35Å; H1476-L1478 PolarHBondContact O-N 3.14Å; L1478-D1480 VanDerWaalsContact C-N 3.32Å; L1478-D1480 PolarHBondContact O-N 3.24Å; L1478-S1481 CarbonylContact O-C 3.5Å; L1478-S1481 WeakPolarHBondContact O-CA 3.27Å; L1478-S1481 WeakPolarHBondContact O-CB 3.46Å; L1478-S1481 PolarHBondContact O-N 3.08Å; L1478-S1481 PolarHBondContact O-OG 2.89Å; L1478-E1482 HydrophobicContact CD1-CG 4.4Å; L1478-E1482 HydrophobicContact CG-CG 4.41Å; L1478-E1482 WeakPolarHBondContact O-CG 3.32Å; L1478-E1482 PolarHBondContact O-N 3.48Å |
| 1479 | Q | 85.8 | Confident | 85.1 | Confident | 86 Ų | 86 | 103.5 Ų | 103.5 | 40% | 0.402 | 49% | 0.486 | S | S | . | . | H | α-helix | trans | -60.8 | -38.5 | 178.2 | -172.5 | -177.2 | 8.3 | 0 | 0 | 112.4 | R1475 H1476 S1481 E1482 H1483 | R1475-Q1479 WeakPolarHBondContact O-CB 3.37Å; R1475-Q1479 PolarHBondContact O-N 3.25Å; H1476-Q1479 PolarHBondContact O-N 2.78Å; Q1479-S1481 VanDerWaalsContact C-N 3.34Å; Q1479-E1482 PolarHBondContact O-N 3.12Å; Q1479-H1483 WeakPolarHBondContact O-CB 3.43Å; Q1479-H1483 PolarHBondContact O-CD2 3.18Å; Q1479-H1483 VanDerWaalsContact O-CG 3.32Å; Q1479-H1483 PolarHBondContact O-N 2.76Å |
| 1480 | D | 86.2 | Confident | 85.2 | Confident | 107 Ų | 107 | 102.1 Ų | 102.1 | 57% | 0.572 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -68.1 | -35.6 | 173.6 | -76.2 | -23.7 | 0 | 0 | 0 | 110.9 | H1476 L1478 R1484 | H1476-D1480 VanDerWaalsContact O-CB 3.27Å; H1476-D1480 WeakPolarHBondContact O-CB 3.3Å; H1476-D1480 VanDerWaalsContact O-CG 3.26Å; H1476-D1480 PolarHBondContact O-N 3.14Å; L1478-D1480 VanDerWaalsContact C-N 3.32Å; L1478-D1480 PolarHBondContact O-N 3.24Å; D1480-R1484 WeakPolarHBondContact O-CB 3.46Å; D1480-R1484 PolarHBondContact O-N 2.77Å |
| 1481 | S | 75.7 | Confident | 85.4 | Confident | 56 Ų | 56 | 98.5 Ų | 98.5 | 39% | 0.392 | 47% | 0.472 | S | S | . | . | H | α-helix | trans | -71.5 | -33.9 | 172.7 | 82.4 | 0 | 0 | 0 | 0 | 112.6 | Q1477 L1478 Q1479 R1484 V1485 | Q1477-S1481 VanDerWaalsContact O-CB 3.29Å; Q1477-S1481 WeakPolarHBondContact O-CB 3.4Å; Q1477-S1481 PolarHBondContact O-N 3.37Å; Q1477-S1481 PolarHBondContact O-OG 3.19Å; L1478-S1481 CarbonylContact O-C 3.5Å; L1478-S1481 WeakPolarHBondContact O-CA 3.27Å; L1478-S1481 WeakPolarHBondContact O-CB 3.46Å; L1478-S1481 PolarHBondContact O-N 3.08Å; L1478-S1481 PolarHBondContact O-OG 2.89Å; Q1479-S1481 VanDerWaalsContact C-N 3.34Å; S1481-R1484 CarbonylContact O-C 3.58Å; S1481-R1484 WeakPolarHBondContact O-CB 3.46Å; S1481-R1484 PolarHBondContact O-N 3.5Å; S1481-V1485 WeakPolarHBondContact O-CB 3.33Å; S1481-V1485 VanDerWaalsContact O-CG2 3.28Å; S1481-V1485 WeakPolarHBondContact O-CG2 3.45Å; S1481-V1485 PolarHBondContact O-N 2.81Å |
| 1482 | E | 87.4 | Confident | 85.5 | Confident | 107 Ų | 107 | 100 Ų | 100 | 50% | 0.5 | 48% | 0.48 | S | S | . | . | H | α-helix | trans | -67.7 | -45.3 | 172.2 | -73.2 | 172.1 | 165.5 | 0 | 0 | 109.9 | L1478 Q1479 R1484 V1485 E1486 | L1478-E1482 HydrophobicContact CD1-CG 4.4Å; L1478-E1482 HydrophobicContact CG-CG 4.41Å; L1478-E1482 WeakPolarHBondContact O-CG 3.32Å; L1478-E1482 PolarHBondContact O-N 3.48Å; Q1479-E1482 PolarHBondContact O-N 3.12Å; E1482-R1484 VanDerWaalsContact C-N 3.29Å; E1482-R1484 PolarHBondContact O-N 3.21Å; E1482-V1485 CarbonylContact O-C 3.6Å; E1482-V1485 PolarHBondContact O-N 2.85Å; E1482-E1486 VanDerWaalsContact O-CB 3.29Å; E1482-E1486 WeakPolarHBondContact O-CB 3.35Å; E1482-E1486 PolarHBondContact O-N 2.8Å |
| 1483 | H | 85.9 | Confident | 85.6 | Confident | 91 Ų | 91 | 97.5 Ų | 97.5 | 42% | 0.421 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.4 | -35.2 | 170.9 | -74.2 | -46.9 | 0 | 0 | 0 | 112.1 | Q1479 Q1487 | Q1479-H1483 WeakPolarHBondContact O-CB 3.43Å; Q1479-H1483 PolarHBondContact O-CD2 3.18Å; Q1479-H1483 VanDerWaalsContact O-CG 3.32Å; Q1479-H1483 PolarHBondContact O-N 2.76Å; H1483-Q1487 VanDerWaalsContact O-CB 3.31Å; H1483-Q1487 WeakPolarHBondContact O-CB 3.27Å; H1483-Q1487 WeakPolarHBondContact O-CG 3.47Å; H1483-Q1487 PolarHBondContact O-N 3.16Å |
| 1484 | R | 90.8 | Very high | 85.8 | Confident | 139 Ų | 139 | 98.3 Ų | 98.3 | 53% | 0.525 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -67.5 | -40.3 | 174 | -168.5 | 76.3 | 170.8 | 94.6 | 4.2 | 111.2 | D1480 S1481 E1482 L1488 | D1480-R1484 WeakPolarHBondContact O-CB 3.46Å; D1480-R1484 PolarHBondContact O-N 2.77Å; S1481-R1484 CarbonylContact O-C 3.58Å; S1481-R1484 WeakPolarHBondContact O-CB 3.46Å; S1481-R1484 PolarHBondContact O-N 3.5Å; E1482-R1484 VanDerWaalsContact C-N 3.29Å; E1482-R1484 PolarHBondContact O-N 3.21Å; R1484-L1488 HydrophobicContact CG-CD1 4.25Å; R1484-L1488 WeakPolarHBondContact O-CB 3.47Å; R1484-L1488 WeakPolarHBondContact O-CG 3.34Å; R1484-L1488 PolarHBondContact O-N 2.89Å |
| 1485 | V | 84 | Confident | 85.9 | Confident | 86 Ų | 86 | 101.1 Ų | 101.1 | 52% | 0.521 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -67.8 | -46 | 174.4 | 166.9 | 0 | 0 | 0 | 0 | 110.4 | S1481 E1482 Q1487 L1488 T1489 | S1481-V1485 WeakPolarHBondContact O-CB 3.33Å; S1481-V1485 VanDerWaalsContact O-CG2 3.28Å; S1481-V1485 WeakPolarHBondContact O-CG2 3.45Å; S1481-V1485 PolarHBondContact O-N 2.81Å; E1482-V1485 CarbonylContact O-C 3.6Å; E1482-V1485 PolarHBondContact O-N 2.85Å; V1485-Q1487 VanDerWaalsContact C-N 3.33Å; V1485-Q1487 PolarHBondContact O-N 3.43Å; V1485-L1488 CarbonylContact O-C 3.56Å; V1485-L1488 PolarHBondContact O-N 3.36Å; V1485-L1488 VanDerWaalsContact O-N 3.11Å; V1485-T1489 HydrophobicContact CG1-CG2 4.22Å; V1485-T1489 WeakPolarHBondContact O-CG2 3.22Å; V1485-T1489 PolarHBondContact O-N 3.4Å; V1485-T1489 PolarHBondContact O-OG1 2.74Å; V1485-T1489 VanDerWaalsContact O-OG1 3.14Å |
| 1486 | E | 87.8 | Confident | 85.9 | Confident | 112 Ų | 112 | 98.1 Ų | 98.1 | 52% | 0.523 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -58.2 | -42.4 | 173.7 | -176.2 | 70.6 | -126.9 | 0 | 0 | 111 | E1482 T1489 N1490 | E1482-E1486 VanDerWaalsContact O-CB 3.29Å; E1482-E1486 WeakPolarHBondContact O-CB 3.35Å; E1482-E1486 PolarHBondContact O-N 2.8Å; E1486-T1489 WeakPolarHBondContact CA-OG1 3.32Å; E1486-T1489 PolarHBondContact O-OG1 3.2Å; E1486-T1489 VanDerWaalsContact O-OG1 3.06Å; E1486-N1490 VanDerWaalsContact O-CB 3.28Å; E1486-N1490 WeakPolarHBondContact O-CB 3.33Å; E1486-N1490 PolarHBondContact O-N 2.83Å; E1486-N1490 PolarHBondContact O-ND2 3.49Å; E1486-N1490 PolarHBondContact OE1-ND2 3.28Å |
| 1487 | Q | 86.1 | Confident | 85.9 | Confident | 109 Ų | 109 | 98.5 Ų | 98.5 | 51% | 0.509 | 47% | 0.474 | S | S | . | . | H | α-helix | trans | -62.5 | -46.8 | 172.2 | -75.5 | 165 | 22.4 | 0 | 0 | 111.6 | H1483 V1485 N1490 E1491 | H1483-Q1487 VanDerWaalsContact O-CB 3.31Å; H1483-Q1487 WeakPolarHBondContact O-CB 3.27Å; H1483-Q1487 WeakPolarHBondContact O-CG 3.47Å; H1483-Q1487 PolarHBondContact O-N 3.16Å; V1485-Q1487 VanDerWaalsContact C-N 3.33Å; V1485-Q1487 PolarHBondContact O-N 3.43Å; Q1487-N1490 PolarHBondContact O-N 2.95Å; Q1487-E1491 WeakPolarHBondContact O-CB 3.48Å; Q1487-E1491 WeakPolarHBondContact O-CG 3.07Å; Q1487-E1491 PolarHBondContact O-N 3.22Å |
| 1488 | L | 84.8 | Confident | 86.1 | Confident | 80 Ų | 80 | 97 Ų | 97 | 42% | 0.419 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -68.9 | -32.8 | -179.8 | -74 | 168.8 | 0 | 0 | 0 | 113 | R1484 V1485 E1491 L1492 | R1484-L1488 HydrophobicContact CG-CD1 4.25Å; R1484-L1488 WeakPolarHBondContact O-CB 3.47Å; R1484-L1488 WeakPolarHBondContact O-CG 3.34Å; R1484-L1488 PolarHBondContact O-N 2.89Å; V1485-L1488 CarbonylContact O-C 3.56Å; V1485-L1488 PolarHBondContact O-N 3.36Å; V1485-L1488 VanDerWaalsContact O-N 3.11Å; L1488-E1491 PolarHBondContact O-N 3.25Å; L1488-L1492 VanDerWaalsContact O-CB 3.27Å; L1488-L1492 WeakPolarHBondContact O-CB 3.47Å; L1488-L1492 PolarHBondContact O-N 2.97Å |
| 1489 | T | 84.9 | Confident | 86.1 | Confident | 67 Ų | 67 | 99.5 Ų | 99.5 | 41% | 0.411 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -74.9 | -36.4 | 173.1 | 56.8 | 0 | 0 | 0 | 0 | 111.1 | V1485 E1486 E1491 L1492 Q1493 | V1485-T1489 HydrophobicContact CG1-CG2 4.22Å; V1485-T1489 WeakPolarHBondContact O-CG2 3.22Å; V1485-T1489 PolarHBondContact O-N 3.4Å; V1485-T1489 PolarHBondContact O-OG1 2.74Å; V1485-T1489 VanDerWaalsContact O-OG1 3.14Å; E1486-T1489 WeakPolarHBondContact CA-OG1 3.32Å; E1486-T1489 PolarHBondContact O-OG1 3.2Å; E1486-T1489 VanDerWaalsContact O-OG1 3.06Å; T1489-E1491 VanDerWaalsContact C-N 3.33Å; T1489-L1492 PolarHBondContact O-N 3.37Å; T1489-Q1493 VanDerWaalsContact O-CB 3.28Å; T1489-Q1493 WeakPolarHBondContact O-CB 3.05Å; T1489-Q1493 PolarHBondContact O-N 2.86Å |
| 1490 | N | 84.9 | Confident | 86.1 | Confident | 63 Ų | 63 | 101.2 Ų | 101.2 | 34% | 0.337 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -66.7 | -33.6 | 170.1 | -82.8 | -79.1 | 0 | 0 | 0 | 112 | E1486 Q1487 K1494 | E1486-N1490 VanDerWaalsContact O-CB 3.28Å; E1486-N1490 WeakPolarHBondContact O-CB 3.33Å; E1486-N1490 PolarHBondContact O-N 2.83Å; E1486-N1490 PolarHBondContact O-ND2 3.49Å; E1486-N1490 PolarHBondContact OE1-ND2 3.28Å; Q1487-N1490 PolarHBondContact O-N 2.95Å; N1490-K1494 WeakPolarHBondContact O-CD 3.31Å; N1490-K1494 WeakPolarHBondContact O-CE 3.48Å; N1490-K1494 WeakPolarHBondContact O-CG 3.31Å; N1490-K1494 PolarHBondContact O-N 3.35Å |
| 1491 | E | 87.5 | Confident | 86.2 | Confident | 76 Ų | 76 | 98.2 Ų | 98.2 | 36% | 0.355 | 48% | 0.477 | S | S | . | . | H | α-helix | trans | -69.4 | -47.6 | 170.2 | -76.8 | 177.3 | -177 | 0 | 0 | 112 | Q1487 L1488 T1489 Q1493 K1494 Y1495 | Q1487-E1491 WeakPolarHBondContact O-CB 3.48Å; Q1487-E1491 WeakPolarHBondContact O-CG 3.07Å; Q1487-E1491 PolarHBondContact O-N 3.22Å; L1488-E1491 PolarHBondContact O-N 3.25Å; T1489-E1491 VanDerWaalsContact C-N 3.33Å; E1491-Q1493 PolarHBondContact O-N 3.43Å; E1491-K1494 WeakPolarHBondContact O-CA 3.19Å; E1491-K1494 WeakPolarHBondContact O-CB 3.32Å; E1491-K1494 PolarHBondContact O-N 2.94Å; E1491-Y1495 HydrophobicContact CB-CE2 4.31Å; E1491-Y1495 WeakPolarHBondContact O-CD2 3.25Å; E1491-Y1495 PolarHBondContact O-N 3.49Å |
| 1492 | L | 84.2 | Confident | 86.8 | Confident | 98 Ų | 98 | 100.2 Ų | 100.2 | 51% | 0.513 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -54.8 | -42.7 | 173 | -168.2 | 89.2 | 0 | 0 | 0 | 111 | L1488 T1489 Y1495 Q1496 | L1488-L1492 VanDerWaalsContact O-CB 3.27Å; L1488-L1492 WeakPolarHBondContact O-CB 3.47Å; L1488-L1492 PolarHBondContact O-N 2.97Å; T1489-L1492 PolarHBondContact O-N 3.37Å; L1492-Y1495 CarbonylContact O-C 3.49Å; L1492-Y1495 PolarHBondContact O-N 2.68Å; L1492-Q1496 WeakPolarHBondContact O-CB 3.1Å; L1492-Q1496 VanDerWaalsContact O-CG 3.31Å; L1492-Q1496 WeakPolarHBondContact O-CG 3.47Å; L1492-Q1496 PolarHBondContact O-N 3.31Å |
| 1493 | Q | 88.7 | Confident | 86.9 | Confident | 89 Ų | 89 | 100.5 Ų | 100.5 | 42% | 0.416 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -69.4 | -32.8 | 177.8 | -160.1 | -164 | 83 | 0 | 0 | 112.2 | T1489 E1491 K1497 | T1489-Q1493 VanDerWaalsContact O-CB 3.28Å; T1489-Q1493 WeakPolarHBondContact O-CB 3.05Å; T1489-Q1493 PolarHBondContact O-N 2.86Å; E1491-Q1493 PolarHBondContact O-N 3.43Å; Q1493-K1497 HydrophobicContact CG-CD 4.41Å; Q1493-K1497 VanDerWaalsContact O-CB 3.31Å; Q1493-K1497 WeakPolarHBondContact O-CB 3.33Å; Q1493-K1497 WeakPolarHBondContact O-CD 3.27Å; Q1493-K1497 WeakPolarHBondContact O-CG 3.15Å; Q1493-K1497 PolarHBondContact O-N 2.77Å |
| 1494 | K | 88.2 | Confident | 86.8 | Confident | 128 Ų | 128 | 101.5 Ų | 101.5 | 56% | 0.557 | 49% | 0.492 | S | S | * | . | H | α-helix | trans | -64.5 | -44.7 | 169.3 | -68.9 | 159.8 | -154.5 | 159.5 | 0 | 110.6 | N1490 E1491 K1497 L1498 | N1490-K1494 WeakPolarHBondContact O-CD 3.31Å; N1490-K1494 WeakPolarHBondContact O-CE 3.48Å; N1490-K1494 WeakPolarHBondContact O-CG 3.31Å; N1490-K1494 PolarHBondContact O-N 3.35Å; E1491-K1494 WeakPolarHBondContact O-CA 3.19Å; E1491-K1494 WeakPolarHBondContact O-CB 3.32Å; E1491-K1494 PolarHBondContact O-N 2.94Å; K1494-K1497 PolarHBondContact O-N 2.74Å; K1494-L1498 WeakPolarHBondContact O-CB 3.2Å; K1494-L1498 PolarHBondContact O-N 3.29Å |
| 1495 | Y | 85.5 | Confident | 86.7 | Confident | 155 Ų | 155 | 100.4 Ų | 100.4 | 61% | 0.608 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -66.6 | -40.3 | 177.5 | -70.1 | -60.8 | 0 | 0 | 0 | 112.4 | E1491 L1492 L1498 E1499 | E1491-Y1495 HydrophobicContact CB-CE2 4.31Å; E1491-Y1495 WeakPolarHBondContact O-CD2 3.25Å; E1491-Y1495 PolarHBondContact O-N 3.49Å; L1492-Y1495 CarbonylContact O-C 3.49Å; L1492-Y1495 PolarHBondContact O-N 2.68Å; Y1495-L1498 CarbonylContact O-C 3.47Å; Y1495-L1498 WeakPolarHBondContact O-CB 3.19Å; Y1495-L1498 PolarHBondContact O-N 3.21Å; Y1495-E1499 WeakPolarHBondContact O-CB 3.29Å; Y1495-E1499 PolarHBondContact O-N 3.39Å |
| 1496 | Q | 87.6 | Confident | 86.8 | Confident | 90 Ų | 90 | 102.6 Ų | 102.6 | 42% | 0.421 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 172.5 | -74.8 | 173.8 | -11.3 | 0 | 0 | 112.2 | L1492 E1499 Q1500 | L1492-Q1496 WeakPolarHBondContact O-CB 3.1Å; L1492-Q1496 VanDerWaalsContact O-CG 3.31Å; L1492-Q1496 WeakPolarHBondContact O-CG 3.47Å; L1492-Q1496 PolarHBondContact O-N 3.31Å; Q1496-E1499 PolarHBondContact O-N 3.08Å; Q1496-Q1500 WeakPolarHBondContact O-CB 3.33Å; Q1496-Q1500 WeakPolarHBondContact O-CG 3.34Å; Q1496-Q1500 PolarHBondContact O-N 2.63Å |
| 1497 | K | 87 | Confident | 86.8 | Confident | 119 Ų | 119 | 100.6 Ų | 100.6 | 52% | 0.517 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -66.7 | -36.8 | 173.3 | -76.7 | 166.5 | 174.8 | 171.2 | 0 | 112 | Q1493 K1494 A1501 | Q1493-K1497 HydrophobicContact CG-CD 4.41Å; Q1493-K1497 VanDerWaalsContact O-CB 3.31Å; Q1493-K1497 WeakPolarHBondContact O-CB 3.33Å; Q1493-K1497 WeakPolarHBondContact O-CD 3.27Å; Q1493-K1497 WeakPolarHBondContact O-CG 3.15Å; Q1493-K1497 PolarHBondContact O-N 2.77Å; K1494-K1497 PolarHBondContact O-N 2.74Å; K1497-A1501 WeakPolarHBondContact O-CB 3.48Å; K1497-A1501 PolarHBondContact O-N 2.92Å |
| 1498 | L | 89.7 | Confident | 86.9 | Confident | 96 Ų | 96 | 98.4 Ų | 98.4 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -69.1 | -41.4 | 174.1 | -179.2 | 62.1 | 0 | 0 | 0 | 111.7 | K1494 Y1495 A1501 L1502 | K1494-L1498 WeakPolarHBondContact O-CB 3.2Å; K1494-L1498 PolarHBondContact O-N 3.29Å; Y1495-L1498 CarbonylContact O-C 3.47Å; Y1495-L1498 WeakPolarHBondContact O-CB 3.19Å; Y1495-L1498 PolarHBondContact O-N 3.21Å; L1498-A1501 WeakPolarHBondContact O-CB 3.48Å; L1498-A1501 PolarHBondContact O-N 3.14Å; L1498-L1502 HydrophobicContact CD1-CD1 4.35Å; L1498-L1502 HydrophobicContact CD1-CG 4.42Å; L1498-L1502 HydrophobicContact CG-CD1 4.09Å; L1498-L1502 WeakPolarHBondContact O-CB 3.34Å; L1498-L1502 VanDerWaalsContact O-CG 3.3Å; L1498-L1502 WeakPolarHBondContact O-CG 3.17Å; L1498-L1502 PolarHBondContact O-N 2.82Å |
| 1499 | E | 85.5 | Confident | 87.1 | Confident | 135 Ų | 135 | 99.7 Ų | 99.7 | 63% | 0.631 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -63.9 | -43.8 | 174.4 | -175.3 | 179.1 | -161.6 | 0 | 0 | 111 | Y1495 Q1496 A1501 L1502 H1503 | Y1495-E1499 WeakPolarHBondContact O-CB 3.29Å; Y1495-E1499 PolarHBondContact O-N 3.39Å; Q1496-E1499 PolarHBondContact O-N 3.08Å; E1499-A1501 VanDerWaalsContact C-N 3.34Å; E1499-A1501 PolarHBondContact O-N 2.85Å; E1499-L1502 PolarHBondContact O-N 3.21Å; E1499-H1503 WeakPolarHBondContact O-CB 3.36Å; E1499-H1503 PolarHBondContact O-N 2.97Å |
| 1500 | Q | 85.5 | Confident | 87.3 | Confident | 122 Ų | 122 | 101.2 Ų | 101.2 | 57% | 0.57 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -61.9 | -39.5 | 172 | -74.1 | 170.9 | 11.7 | 0 | 0 | 112 | Q1496 H1503 N1504 | Q1496-Q1500 WeakPolarHBondContact O-CB 3.33Å; Q1496-Q1500 WeakPolarHBondContact O-CG 3.34Å; Q1496-Q1500 PolarHBondContact O-N 2.63Å; Q1500-H1503 PolarHBondContact O-N 2.86Å; Q1500-N1504 WeakPolarHBondContact O-CB 3.29Å; Q1500-N1504 PolarHBondContact O-N 2.92Å; Q1500-N1504 PolarHBondContact O-ND2 2.87Å |
| 1501 | A | 88.4 | Confident | 87.4 | Confident | 44 Ų | 44 | 101.1 Ų | 101.1 | 36% | 0.364 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.2 | -49.1 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | K1497 L1498 E1499 H1503 N1504 E1505 | K1497-A1501 WeakPolarHBondContact O-CB 3.48Å; K1497-A1501 PolarHBondContact O-N 2.92Å; L1498-A1501 WeakPolarHBondContact O-CB 3.48Å; L1498-A1501 PolarHBondContact O-N 3.14Å; E1499-A1501 VanDerWaalsContact C-N 3.34Å; E1499-A1501 PolarHBondContact O-N 2.85Å; A1501-H1503 VanDerWaalsContact C-N 3.31Å; A1501-H1503 PolarHBondContact O-N 2.73Å; A1501-N1504 PolarHBondContact O-N 3.48Å; A1501-E1505 WeakPolarHBondContact O-CG 3.4Å; A1501-E1505 PolarHBondContact O-N 2.79Å |
| 1502 | L | 88.3 | Confident | 87.7 | Confident | 98 Ų | 98 | 104.8 Ų | 104.8 | 51% | 0.513 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -62.9 | -35.5 | 176.4 | -71.9 | 168.6 | 0 | 0 | 0 | 112.4 | L1498 E1499 E1505 M1506 | L1498-L1502 HydrophobicContact CD1-CD1 4.35Å; L1498-L1502 HydrophobicContact CD1-CG 4.42Å; L1498-L1502 HydrophobicContact CG-CD1 4.09Å; L1498-L1502 WeakPolarHBondContact O-CB 3.34Å; L1498-L1502 VanDerWaalsContact O-CG 3.3Å; L1498-L1502 WeakPolarHBondContact O-CG 3.17Å; L1498-L1502 PolarHBondContact O-N 2.82Å; E1499-L1502 PolarHBondContact O-N 3.21Å; L1502-E1505 PolarHBondContact O-N 2.79Å; L1502-M1506 VanDerWaalsContact O-CB 3.23Å; L1502-M1506 WeakPolarHBondContact O-CB 3.48Å; L1502-M1506 PolarHBondContact O-N 2.72Å |
| 1503 | H | 89 | Confident | 87.8 | Confident | 114 Ų | 114 | 105.3 Ų | 105.3 | 53% | 0.528 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -68.2 | -43.5 | 174.6 | -171.8 | 78 | 0 | 0 | 0 | 111.4 | E1499 Q1500 A1501 M1506 E1507 | E1499-H1503 WeakPolarHBondContact O-CB 3.36Å; E1499-H1503 PolarHBondContact O-N 2.97Å; Q1500-H1503 PolarHBondContact O-N 2.86Å; A1501-H1503 VanDerWaalsContact C-N 3.31Å; A1501-H1503 PolarHBondContact O-N 2.73Å; H1503-M1506 PolarHBondContact O-N 3.44Å; H1503-E1507 WeakPolarHBondContact O-CB 3.44Å; H1503-E1507 PolarHBondContact O-N 3.21Å |
| 1504 | N | 85.6 | Confident | 87.9 | Confident | 111 Ų | 111 | 106.1 Ų | 106.1 | 59% | 0.594 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -63.5 | -40.1 | 173.3 | -72.6 | -35.3 | 0 | 0 | 0 | 111.7 | Q1500 A1501 E1507 S1508 | Q1500-N1504 WeakPolarHBondContact O-CB 3.29Å; Q1500-N1504 PolarHBondContact O-N 2.92Å; Q1500-N1504 PolarHBondContact O-ND2 2.87Å; A1501-N1504 PolarHBondContact O-N 3.48Å; N1504-E1507 PolarHBondContact O-N 2.78Å; N1504-S1508 WeakPolarHBondContact O-CB 3.02Å; N1504-S1508 PolarHBondContact O-N 3.39Å |
| 1505 | E | 87.9 | Confident | 87.7 | Confident | 117 Ų | 117 | 105.8 Ų | 105.8 | 55% | 0.547 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -63.4 | -45.2 | 172.5 | -75.8 | -173.5 | 173.4 | 0 | 0 | 111.3 | A1501 L1502 E1507 S1508 L1509 | A1501-E1505 WeakPolarHBondContact O-CG 3.4Å; A1501-E1505 PolarHBondContact O-N 2.79Å; L1502-E1505 PolarHBondContact O-N 2.79Å; E1505-E1507 PolarHBondContact O-N 3.36Å; E1505-S1508 CarbonylContact O-C 3.58Å; E1505-S1508 WeakPolarHBondContact O-CB 3.36Å; E1505-S1508 PolarHBondContact O-N 3.08Å; E1505-S1508 VanDerWaalsContact O-N 3.16Å; E1505-S1508 PolarHBondContact O-OG 2.94Å; E1505-L1509 WeakPolarHBondContact O-CB 3.13Å; E1505-L1509 WeakPolarHBondContact O-CG 3.39Å; E1505-L1509 PolarHBondContact O-N 3.3Å |
| 1506 | M | 86.1 | Confident | 87.8 | Confident | 132 Ų | 132 | 102.3 Ų | 102.3 | 65% | 0.65 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.9 | -40.8 | 176.8 | -173.6 | 174.2 | -174.6 | 0 | 0 | 112.2 | L1502 H1503 L1509 K1510 | L1502-M1506 VanDerWaalsContact O-CB 3.23Å; L1502-M1506 WeakPolarHBondContact O-CB 3.48Å; L1502-M1506 PolarHBondContact O-N 2.72Å; H1503-M1506 PolarHBondContact O-N 3.44Å; M1506-L1509 PolarHBondContact O-N 3.12Å; M1506-K1510 WeakPolarHBondContact O-CB 3.42Å; M1506-K1510 PolarHBondContact O-N 2.9Å |
| 1507 | E | 88.1 | Confident | 87.8 | Confident | 70 Ų | 70 | 102 Ų | 102 | 33% | 0.327 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -69.4 | -34.2 | 175 | -160 | 64.2 | -143.2 | 0 | 0 | 111.3 | H1503 N1504 E1505 K1510 T1511 | H1503-E1507 WeakPolarHBondContact O-CB 3.44Å; H1503-E1507 PolarHBondContact O-N 3.21Å; N1504-E1507 PolarHBondContact O-N 2.78Å; E1505-E1507 PolarHBondContact O-N 3.36Å; E1507-K1510 PolarHBondContact O-N 3.13Å; E1507-K1510 WeakPolarHBondContact OE1-CD 3.45Å; E1507-K1510 WeakPolarHBondContact OE1-CE 3.47Å; E1507-K1510 IonicContact OE1-NZ 2.63Å; E1507-K1510 PolarHBondContact OE1-NZ 3.17Å; E1507-K1510 WeakPolarHBondContact OE2-CD 3.38Å; E1507-K1510 IonicContact OE2-NZ 2.7Å; E1507-K1510 PolarHBondContact OE2-NZ 3.42Å; E1507-T1511 WeakPolarHBondContact O-CB 3.43Å; E1507-T1511 WeakPolarHBondContact O-CG2 3.05Å; E1507-T1511 PolarHBondContact O-N 3.37Å; E1507-T1511 PolarHBondContact O-OG1 2.87Å |
| 1508 | S | 88.5 | Confident | 87.9 | Confident | 63 Ų | 63 | 102.8 Ų | 102.8 | 44% | 0.441 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -68 | -37.1 | 172 | 85.9 | 0 | 0 | 0 | 0 | 112.7 | N1504 E1505 T1511 R1512 | N1504-S1508 WeakPolarHBondContact O-CB 3.02Å; N1504-S1508 PolarHBondContact O-N 3.39Å; E1505-S1508 CarbonylContact O-C 3.58Å; E1505-S1508 WeakPolarHBondContact O-CB 3.36Å; E1505-S1508 PolarHBondContact O-N 3.08Å; E1505-S1508 VanDerWaalsContact O-N 3.16Å; E1505-S1508 PolarHBondContact O-OG 2.94Å; S1508-T1511 WeakPolarHBondContact CA-OG1 3.4Å; S1508-T1511 PolarHBondContact O-OG1 3.38Å; S1508-R1512 WeakPolarHBondContact O-CB 3.33Å; S1508-R1512 PolarHBondContact O-N 3.34Å |
| 1509 | L | 87.8 | Confident | 87.9 | Confident | 107 Ų | 107 | 102 Ų | 102 | 56% | 0.56 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -72.5 | -38.4 | 175.4 | -72.9 | 169.8 | 0 | 0 | 0 | 111.2 | E1505 M1506 R1512 L1513 | E1505-L1509 WeakPolarHBondContact O-CB 3.13Å; E1505-L1509 WeakPolarHBondContact O-CG 3.39Å; E1505-L1509 PolarHBondContact O-N 3.3Å; M1506-L1509 PolarHBondContact O-N 3.12Å; L1509-R1512 WeakPolarHBondContact O-CB 3.38Å; L1509-R1512 PolarHBondContact O-N 3.21Å; L1509-L1513 WeakPolarHBondContact O-CB 3.48Å; L1509-L1513 VanDerWaalsContact O-CG 3.24Å; L1509-L1513 WeakPolarHBondContact O-CG 3.39Å; L1509-L1513 PolarHBondContact O-N 3.37Å |
| 1510 | K | 88.9 | Confident | 88 | Confident | 99 Ų | 99 | 100.4 Ų | 100.4 | 43% | 0.43 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -63.6 | -46.7 | 174.3 | 175.8 | -178.6 | 167.1 | -151.7 | 0 | 111.9 | M1506 E1507 L1513 Q1514 | M1506-K1510 WeakPolarHBondContact O-CB 3.42Å; M1506-K1510 PolarHBondContact O-N 2.9Å; E1507-K1510 PolarHBondContact O-N 3.13Å; E1507-K1510 WeakPolarHBondContact OE1-CD 3.45Å; E1507-K1510 WeakPolarHBondContact OE1-CE 3.47Å; E1507-K1510 IonicContact OE1-NZ 2.63Å; E1507-K1510 PolarHBondContact OE1-NZ 3.17Å; E1507-K1510 WeakPolarHBondContact OE2-CD 3.38Å; E1507-K1510 IonicContact OE2-NZ 2.7Å; E1507-K1510 PolarHBondContact OE2-NZ 3.42Å; K1510-L1513 PolarHBondContact O-N 3.18Å; K1510-Q1514 WeakPolarHBondContact O-CG 3.16Å; K1510-Q1514 PolarHBondContact O-N 3Å |
| 1511 | T | 87.4 | Confident | 88.1 | Confident | 61 Ų | 61 | 98.5 Ų | 98.5 | 37% | 0.374 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -66.2 | -37.4 | 172.6 | 49 | 0 | 0 | 0 | 0 | 111.8 | E1507 S1508 L1513 Q1514 M1515 | E1507-T1511 WeakPolarHBondContact O-CB 3.43Å; E1507-T1511 WeakPolarHBondContact O-CG2 3.05Å; E1507-T1511 PolarHBondContact O-N 3.37Å; E1507-T1511 PolarHBondContact O-OG1 2.87Å; S1508-T1511 WeakPolarHBondContact CA-OG1 3.4Å; S1508-T1511 PolarHBondContact O-OG1 3.38Å; T1511-L1513 PolarHBondContact O-N 3.05Å; T1511-Q1514 PolarHBondContact O-N 3.48Å; T1511-M1515 WeakPolarHBondContact O-CG 3.34Å; T1511-M1515 PolarHBondContact O-N 3.2Å |
| 1512 | R | 93.2 | Very high | 88.1 | Confident | 152 Ų | 152 | 101.8 Ų | 101.8 | 57% | 0.574 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -61.3 | -40.4 | 171.7 | -176.4 | 61.6 | 174.8 | -175.3 | 0.4 | 112.6 | S1508 L1509 L1516 | S1508-R1512 WeakPolarHBondContact O-CB 3.33Å; S1508-R1512 PolarHBondContact O-N 3.34Å; L1509-R1512 WeakPolarHBondContact O-CB 3.38Å; L1509-R1512 PolarHBondContact O-N 3.21Å; R1512-L1516 HydrophobicContact CG-CD1 4.36Å; R1512-L1516 WeakPolarHBondContact O-CB 3.31Å; R1512-L1516 VanDerWaalsContact O-CG 3.32Å; R1512-L1516 WeakPolarHBondContact O-CG 3.14Å; R1512-L1516 PolarHBondContact O-N 3.22Å |
| 1513 | L | 87.7 | Confident | 88.1 | Confident | 110 Ų | 110 | 103 Ų | 103 | 58% | 0.576 | 51% | 0.506 | S | S | * | . | H | α-helix | trans | -68.1 | -38.7 | 174.9 | -75.9 | 167.3 | 0 | 0 | 0 | 111.9 | L1509 K1510 T1511 L1516 T1517 | L1509-L1513 WeakPolarHBondContact O-CB 3.48Å; L1509-L1513 VanDerWaalsContact O-CG 3.24Å; L1509-L1513 WeakPolarHBondContact O-CG 3.39Å; L1509-L1513 PolarHBondContact O-N 3.37Å; K1510-L1513 PolarHBondContact O-N 3.18Å; T1511-L1513 PolarHBondContact O-N 3.05Å; L1513-L1516 PolarHBondContact O-N 2.85Å; L1513-T1517 WeakPolarHBondContact O-CB 3.27Å; L1513-T1517 PolarHBondContact O-N 3.09Å; L1513-T1517 PolarHBondContact O-OG1 3.33Å |
| 1514 | Q | 89.3 | Confident | 87.8 | Confident | 106 Ų | 106 | 101.4 Ų | 101.4 | 50% | 0.495 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -60.9 | -50.4 | 172.1 | -74.5 | 171.5 | -28 | 0 | 0 | 111.1 | K1510 T1511 L1516 T1517 E1518 | K1510-Q1514 WeakPolarHBondContact O-CG 3.16Å; K1510-Q1514 PolarHBondContact O-N 3Å; T1511-Q1514 PolarHBondContact O-N 3.48Å; Q1514-L1516 VanDerWaalsContact C-N 3.31Å; Q1514-L1516 PolarHBondContact O-N 3.42Å; Q1514-T1517 WeakPolarHBondContact O-CA 3.47Å; Q1514-T1517 WeakPolarHBondContact O-CB 3.1Å; Q1514-T1517 PolarHBondContact O-N 3.28Å; Q1514-E1518 PolarHBondContact O-N 2.75Å |
| 1515 | M | 85.9 | Confident | 87.7 | Confident | 120 Ų | 120 | 103.2 Ų | 103.2 | 59% | 0.591 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -58.3 | -40.5 | 175.7 | -70 | -175.3 | 78.8 | 0 | 0 | 112.7 | T1511 T1517 L1519 | T1511-M1515 WeakPolarHBondContact O-CG 3.34Å; T1511-M1515 PolarHBondContact O-N 3.2Å; M1515-T1517 VanDerWaalsContact C-N 3.34Å; M1515-L1519 VanDerWaalsContact O-CB 3.27Å; M1515-L1519 WeakPolarHBondContact O-CB 3.34Å; M1515-L1519 PolarHBondContact O-N 2.82Å |
| 1516 | L | 86.7 | Confident | 87.6 | Confident | 83 Ų | 83 | 101.3 Ų | 101.3 | 44% | 0.435 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -65.4 | -37.2 | 174.6 | -76.7 | 168.3 | 0 | 0 | 0 | 111.9 | R1512 L1513 Q1514 L1519 N1520 | R1512-L1516 HydrophobicContact CG-CD1 4.36Å; R1512-L1516 WeakPolarHBondContact O-CB 3.31Å; R1512-L1516 VanDerWaalsContact O-CG 3.32Å; R1512-L1516 WeakPolarHBondContact O-CG 3.14Å; R1512-L1516 PolarHBondContact O-N 3.22Å; L1513-L1516 PolarHBondContact O-N 2.85Å; Q1514-L1516 VanDerWaalsContact C-N 3.31Å; Q1514-L1516 PolarHBondContact O-N 3.42Å; L1516-L1519 PolarHBondContact O-N 3.1Å; L1516-N1520 VanDerWaalsContact O-CB 3.3Å; L1516-N1520 WeakPolarHBondContact O-CB 3.45Å; L1516-N1520 PolarHBondContact O-N 3.41Å |
| 1517 | T | 87.7 | Confident | 87.7 | Confident | 82 Ų | 82 | 99.8 Ų | 99.8 | 50% | 0.503 | 49% | 0.487 | S | S | . | . | H | α-helix | trans | -68.2 | -43.6 | 177.1 | -55.7 | 0 | 0 | 0 | 0 | 111.4 | L1513 Q1514 M1515 N1520 L1521 | L1513-T1517 WeakPolarHBondContact O-CB 3.27Å; L1513-T1517 PolarHBondContact O-N 3.09Å; L1513-T1517 PolarHBondContact O-OG1 3.33Å; Q1514-T1517 WeakPolarHBondContact O-CA 3.47Å; Q1514-T1517 WeakPolarHBondContact O-CB 3.1Å; Q1514-T1517 PolarHBondContact O-N 3.28Å; M1515-T1517 VanDerWaalsContact C-N 3.34Å; T1517-N1520 PolarHBondContact O-N 2.76Å; T1517-L1521 HydrophobicContact CG2-CD1 4.23Å; T1517-L1521 WeakPolarHBondContact O-CB 3.32Å; T1517-L1521 VanDerWaalsContact O-CG 3.3Å; T1517-L1521 WeakPolarHBondContact O-CG 3.44Å; T1517-L1521 PolarHBondContact O-N 2.92Å |
| 1518 | E | 89.2 | Confident | 87.7 | Confident | 137 Ų | 137 | 102.3 Ų | 102.3 | 64% | 0.64 | 50% | 0.497 | S | S | * | . | H | α-helix | trans | -62.2 | -43.1 | 173.5 | -71 | -177.5 | 171.4 | 0 | 0 | 112.3 | Q1514 L1521 K1522 | Q1514-E1518 PolarHBondContact O-N 2.75Å; E1518-L1521 PolarHBondContact O-N 3.21Å; E1518-K1522 PolarHBondContact O-N 2.94Å |
| 1519 | L | 88.9 | Confident | 87.7 | Confident | 80 Ų | 80 | 102 Ų | 102 | 42% | 0.419 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -41.4 | 176.1 | -170.3 | 73.5 | 0 | 0 | 0 | 111.4 | M1515 L1516 K1522 Y1523 | M1515-L1519 VanDerWaalsContact O-CB 3.27Å; M1515-L1519 WeakPolarHBondContact O-CB 3.34Å; M1515-L1519 PolarHBondContact O-N 2.82Å; L1516-L1519 PolarHBondContact O-N 3.1Å; L1519-K1522 WeakPolarHBondContact O-CB 3.31Å; L1519-K1522 PolarHBondContact O-N 3.43Å; L1519-Y1523 HydrophobicContact CD1-CE2 4.08Å; L1519-Y1523 HydrophobicContact CD2-CE2 3.99Å; L1519-Y1523 HydrophobicContact CG-CD2 4.07Å; L1519-Y1523 HydrophobicContact CG-CE2 3.68Å; L1519-Y1523 WeakPolarHBondContact O-CD2 3.24Å; L1519-Y1523 PolarHBondContact O-N 3.17Å |
| 1520 | N | 87.5 | Confident | 87.7 | Confident | 100 Ų | 100 | 101.2 Ų | 101.2 | 54% | 0.535 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -67.9 | -40.9 | 176.9 | -157.4 | 28.5 | 0 | 0 | 0 | 111.3 | L1516 T1517 K1522 Y1523 E1524 | L1516-N1520 VanDerWaalsContact O-CB 3.3Å; L1516-N1520 WeakPolarHBondContact O-CB 3.45Å; L1516-N1520 PolarHBondContact O-N 3.41Å; T1517-N1520 PolarHBondContact O-N 2.76Å; N1520-K1522 VanDerWaalsContact C-N 3.25Å; N1520-K1522 PolarHBondContact O-N 2.79Å; N1520-Y1523 PolarHBondContact O-N 3.21Å; N1520-E1524 WeakPolarHBondContact O-CB 3.25Å; N1520-E1524 PolarHBondContact O-N 2.88Å |
| 1521 | L | 88.4 | Confident | 87.5 | Confident | 82 Ų | 82 | 101.8 Ų | 101.8 | 43% | 0.429 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.5 | -30.9 | 170.9 | -75.8 | 168.1 | 0 | 0 | 0 | 112.7 | T1517 E1518 K1525 | T1517-L1521 HydrophobicContact CG2-CD1 4.23Å; T1517-L1521 WeakPolarHBondContact O-CB 3.32Å; T1517-L1521 VanDerWaalsContact O-CG 3.3Å; T1517-L1521 WeakPolarHBondContact O-CG 3.44Å; T1517-L1521 PolarHBondContact O-N 2.92Å; E1518-L1521 PolarHBondContact O-N 3.21Å; L1521-K1525 WeakPolarHBondContact O-CD 3.28Å; L1521-K1525 VanDerWaalsContact O-CG 3.23Å; L1521-K1525 WeakPolarHBondContact O-CG 3.38Å; L1521-K1525 PolarHBondContact O-N 3.36Å; L1521-K1525 VanDerWaalsContact O-N 3.13Å |
| 1522 | K | 88.2 | Confident | 87.3 | Confident | 114 Ų | 114 | 102.6 Ų | 102.6 | 50% | 0.496 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.3 | -48.6 | 172.3 | -169.8 | 178.7 | -176.4 | -87.8 | 0 | 111.3 | E1518 L1519 N1520 E1524 K1525 E1526 | E1518-K1522 PolarHBondContact O-N 2.94Å; L1519-K1522 WeakPolarHBondContact O-CB 3.31Å; L1519-K1522 PolarHBondContact O-N 3.43Å; N1520-K1522 VanDerWaalsContact C-N 3.25Å; N1520-K1522 PolarHBondContact O-N 2.79Å; K1522-E1524 VanDerWaalsContact C-N 3.31Å; K1522-E1524 PolarHBondContact O-N 3.48Å; K1522-K1525 WeakPolarHBondContact O-CB 3.45Å; K1522-K1525 PolarHBondContact O-N 3.12Å; K1522-K1525 VanDerWaalsContact O-N 3.1Å; K1522-E1526 WeakPolarHBondContact CE-OE1 3.49Å; K1522-E1526 IonicContact NZ-OE1 3.54Å; K1522-E1526 PolarHBondContact NZ-OE1 3.12Å; K1522-E1526 WeakPolarHBondContact O-CG 3.49Å; K1522-E1526 PolarHBondContact O-N 2.79Å |
| 1523 | Y | 88.5 | Confident | 87.1 | Confident | 124 Ų | 124 | 100.3 Ų | 100.3 | 49% | 0.486 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -64.4 | -33.4 | 175.9 | -72.6 | -52.3 | 0 | 0 | 0 | 112.9 | L1519 N1520 E1526 N1527 | L1519-Y1523 HydrophobicContact CD1-CE2 4.08Å; L1519-Y1523 HydrophobicContact CD2-CE2 3.99Å; L1519-Y1523 HydrophobicContact CG-CD2 4.07Å; L1519-Y1523 HydrophobicContact CG-CE2 3.68Å; L1519-Y1523 WeakPolarHBondContact O-CD2 3.24Å; L1519-Y1523 PolarHBondContact O-N 3.17Å; N1520-Y1523 PolarHBondContact O-N 3.21Å; Y1523-E1526 PolarHBondContact O-N 2.98Å; Y1523-N1527 VanDerWaalsContact O-CB 3.3Å; Y1523-N1527 WeakPolarHBondContact O-CB 3.49Å; Y1523-N1527 PolarHBondContact O-N 3.46Å; Y1523-N1527 PolarHBondContact O-ND2 2.97Å |
| 1524 | E | 81.7 | Confident | 87 | Confident | 79 Ų | 79 | 100.4 Ų | 100.4 | 37% | 0.369 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -62.1 | -43.6 | 169.1 | -87 | -164.1 | -147.8 | 0 | 0 | 112.2 | N1520 K1522 N1527 K1528 | N1520-E1524 WeakPolarHBondContact O-CB 3.25Å; N1520-E1524 PolarHBondContact O-N 2.88Å; K1522-E1524 VanDerWaalsContact C-N 3.31Å; K1522-E1524 PolarHBondContact O-N 3.48Å; E1524-N1527 PolarHBondContact O-N 3.09Å; E1524-K1528 VanDerWaalsContact O-CB 3.27Å; E1524-K1528 WeakPolarHBondContact O-CB 3.47Å; E1524-K1528 WeakPolarHBondContact O-CD 2.97Å; E1524-K1528 WeakPolarHBondContact O-CG 3.2Å; E1524-K1528 PolarHBondContact O-N 3.13Å; E1524-K1528 IonicContact OE2-NZ 2.64Å; E1524-K1528 PolarHBondContact OE2-NZ 3.3Å |
| 1525 | K | 84.8 | Confident | 86.8 | Confident | 150 Ų | 150 | 101.4 Ų | 101.4 | 65% | 0.652 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | 176.9 | -74.4 | 165.8 | -176.4 | 173.9 | 0 | 111.5 | L1521 K1522 K1528 S1529 | L1521-K1525 WeakPolarHBondContact O-CD 3.28Å; L1521-K1525 VanDerWaalsContact O-CG 3.23Å; L1521-K1525 WeakPolarHBondContact O-CG 3.38Å; L1521-K1525 PolarHBondContact O-N 3.36Å; L1521-K1525 VanDerWaalsContact O-N 3.13Å; K1522-K1525 WeakPolarHBondContact O-CB 3.45Å; K1522-K1525 PolarHBondContact O-N 3.12Å; K1522-K1525 VanDerWaalsContact O-N 3.1Å; K1525-K1528 PolarHBondContact O-N 3.21Å; K1525-S1529 WeakPolarHBondContact O-CB 3.44Å; K1525-S1529 PolarHBondContact O-N 3.43Å |
| 1526 | E | 84.7 | Confident | 86.7 | Confident | 77 Ų | 77 | 98.4 Ų | 98.4 | 36% | 0.36 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -66.4 | -45.1 | 175 | -72 | 172.7 | -168.6 | 0 | 0 | 111.2 | K1522 Y1523 K1528 S1529 L1530 | K1522-E1526 WeakPolarHBondContact CE-OE1 3.49Å; K1522-E1526 IonicContact NZ-OE1 3.54Å; K1522-E1526 PolarHBondContact NZ-OE1 3.12Å; K1522-E1526 WeakPolarHBondContact O-CG 3.49Å; K1522-E1526 PolarHBondContact O-N 2.79Å; Y1523-E1526 PolarHBondContact O-N 2.98Å; E1526-K1528 PolarHBondContact O-N 3.06Å; E1526-S1529 WeakPolarHBondContact O-CB 3.37Å; E1526-S1529 PolarHBondContact O-N 3.06Å; E1526-L1530 WeakPolarHBondContact O-CB 3.38Å; E1526-L1530 WeakPolarHBondContact O-CG 3.42Å; E1526-L1530 PolarHBondContact O-N 3.45Å |
| 1527 | N | 88.6 | Confident | 86.7 | Confident | 99 Ų | 99 | 98.8 Ų | 98.8 | 53% | 0.529 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -61.7 | -42.3 | 172.9 | -82.8 | -29.1 | 0 | 0 | 0 | 112.7 | Y1523 E1524 S1529 L1530 L1531 | Y1523-N1527 VanDerWaalsContact O-CB 3.3Å; Y1523-N1527 WeakPolarHBondContact O-CB 3.49Å; Y1523-N1527 PolarHBondContact O-N 3.46Å; Y1523-N1527 PolarHBondContact O-ND2 2.97Å; E1524-N1527 PolarHBondContact O-N 3.09Å; N1527-S1529 VanDerWaalsContact C-N 3.33Å; N1527-L1530 PolarHBondContact O-N 3.43Å; N1527-L1531 WeakPolarHBondContact O-CB 3.35Å; N1527-L1531 WeakPolarHBondContact O-CG 3.49Å; N1527-L1531 PolarHBondContact O-N 2.94Å |
| 1528 | K | 88.7 | Confident | 86.6 | Confident | 124 Ų | 124 | 99.3 Ų | 99.3 | 54% | 0.539 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.6 | -35.8 | 175.5 | -73.1 | 163.3 | -173.8 | 168.5 | 0 | 111.5 | E1524 K1525 E1526 S1532 | E1524-K1528 VanDerWaalsContact O-CB 3.27Å; E1524-K1528 WeakPolarHBondContact O-CB 3.47Å; E1524-K1528 WeakPolarHBondContact O-CD 2.97Å; E1524-K1528 WeakPolarHBondContact O-CG 3.2Å; E1524-K1528 PolarHBondContact O-N 3.13Å; E1524-K1528 IonicContact OE2-NZ 2.64Å; E1524-K1528 PolarHBondContact OE2-NZ 3.3Å; K1525-K1528 PolarHBondContact O-N 3.21Å; E1526-K1528 PolarHBondContact O-N 3.06Å; K1528-S1532 WeakPolarHBondContact O-CB 3.29Å; K1528-S1532 PolarHBondContact O-N 3.4Å |
| 1529 | S | 87.4 | Confident | 86.4 | Confident | 56 Ų | 56 | 96.6 Ų | 96.6 | 39% | 0.392 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -67.1 | -45.8 | 172.6 | -170.2 | 0 | 0 | 0 | 0 | 111.8 | K1525 E1526 N1527 S1532 Q1533 | K1525-S1529 WeakPolarHBondContact O-CB 3.44Å; K1525-S1529 PolarHBondContact O-N 3.43Å; E1526-S1529 WeakPolarHBondContact O-CB 3.37Å; E1526-S1529 PolarHBondContact O-N 3.06Å; N1527-S1529 VanDerWaalsContact C-N 3.33Å; S1529-S1532 PolarHBondContact O-N 3.43Å; S1529-Q1533 VanDerWaalsContact O-CG 3.3Å; S1529-Q1533 WeakPolarHBondContact O-CG 3.39Å; S1529-Q1533 PolarHBondContact O-N 3.36Å; S1529-Q1533 PolarHBondContact OG-NE2 3.14Å |
| 1530 | L | 88.1 | Confident | 86.3 | Confident | 90 Ų | 90 | 97.3 Ų | 97.3 | 47% | 0.471 | 49% | 0.49 | S | S | . | . | H | α-helix | trans | -65.6 | -38.5 | 177.4 | -71.9 | 170 | 0 | 0 | 0 | 112.2 | E1526 N1527 Q1533 L1534 | E1526-L1530 WeakPolarHBondContact O-CB 3.38Å; E1526-L1530 WeakPolarHBondContact O-CG 3.42Å; E1526-L1530 PolarHBondContact O-N 3.45Å; N1527-L1530 PolarHBondContact O-N 3.43Å; L1530-Q1533 PolarHBondContact O-N 3.39Å; L1530-L1534 WeakPolarHBondContact O-CB 3.19Å; L1530-L1534 VanDerWaalsContact O-CG 3.28Å; L1530-L1534 WeakPolarHBondContact O-CG 3.43Å; L1530-L1534 PolarHBondContact O-N 2.7Å |
| 1531 | L | 84.6 | Confident | 86.2 | Confident | 112 Ų | 112 | 97.5 Ų | 97.5 | 59% | 0.586 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -62.3 | -43.7 | 170.9 | -82.1 | 163.3 | 0 | 0 | 0 | 111.7 | N1527 L1534 Q1535 | N1527-L1531 WeakPolarHBondContact O-CB 3.35Å; N1527-L1531 WeakPolarHBondContact O-CG 3.49Å; N1527-L1531 PolarHBondContact O-N 2.94Å; L1531-L1534 PolarHBondContact O-N 3.37Å; L1531-Q1535 VanDerWaalsContact O-CB 3.32Å; L1531-Q1535 WeakPolarHBondContact O-CB 3.33Å; L1531-Q1535 PolarHBondContact O-N 2.78Å |
| 1532 | S | 84.2 | Confident | 86.1 | Confident | 78 Ų | 78 | 99 Ų | 99 | 55% | 0.545 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -64.5 | -38.9 | 175.5 | -173.1 | 0 | 0 | 0 | 0 | 112.2 | K1528 S1529 Q1535 S1536 | K1528-S1532 WeakPolarHBondContact O-CB 3.29Å; K1528-S1532 PolarHBondContact O-N 3.4Å; S1529-S1532 PolarHBondContact O-N 3.43Å; S1532-Q1535 PolarHBondContact O-N 2.97Å; S1532-S1536 VanDerWaalsContact O-CB 3.32Å; S1532-S1536 WeakPolarHBondContact O-CB 3.47Å; S1532-S1536 PolarHBondContact O-N 2.77Å |
| 1533 | Q | 88 | Confident | 85.9 | Confident | 104 Ų | 104 | 100.2 Ų | 100.2 | 49% | 0.486 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -66.5 | -43.9 | 173.4 | -71.5 | 172.5 | 42.8 | 0 | 0 | 112 | S1529 L1530 Q1535 S1536 L1537 | S1529-Q1533 VanDerWaalsContact O-CG 3.3Å; S1529-Q1533 WeakPolarHBondContact O-CG 3.39Å; S1529-Q1533 PolarHBondContact O-N 3.36Å; S1529-Q1533 PolarHBondContact OG-NE2 3.14Å; L1530-Q1533 PolarHBondContact O-N 3.39Å; Q1533-Q1535 VanDerWaalsContact C-N 3.32Å; Q1533-Q1535 PolarHBondContact O-N 3.04Å; Q1533-S1536 PolarHBondContact O-N 3.02Å; Q1533-L1537 WeakPolarHBondContact O-CB 3.33Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.16Å; Q1533-L1537 PolarHBondContact O-N 3.31Å |
| 1534 | L | 85.3 | Confident | 85.6 | Confident | 112 Ų | 112 | 99 Ų | 99 | 59% | 0.586 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -62.1 | -38.9 | 174.1 | -77.3 | 168.5 | 0 | 0 | 0 | 111.8 | L1530 L1531 L1537 L1538 | L1530-L1534 WeakPolarHBondContact O-CB 3.19Å; L1530-L1534 VanDerWaalsContact O-CG 3.28Å; L1530-L1534 WeakPolarHBondContact O-CG 3.43Å; L1530-L1534 PolarHBondContact O-N 2.7Å; L1531-L1534 PolarHBondContact O-N 3.37Å; L1534-L1537 PolarHBondContact O-N 3.38Å; L1534-L1538 VanDerWaalsContact O-CB 3.3Å; L1534-L1538 WeakPolarHBondContact O-CB 3.35Å; L1534-L1538 PolarHBondContact O-N 3.2Å |
| 1535 | Q | 85.6 | Confident | 85.8 | Confident | 126 Ų | 126 | 100.1 Ų | 100.1 | 59% | 0.589 | 51% | 0.512 | S | S | * | . | H | α-helix | trans | -74.2 | -32.8 | 177.2 | -167.1 | 162.6 | 3.8 | 0 | 0 | 112.1 | L1531 S1532 Q1533 L1538 N1539 | L1531-Q1535 VanDerWaalsContact O-CB 3.32Å; L1531-Q1535 WeakPolarHBondContact O-CB 3.33Å; L1531-Q1535 PolarHBondContact O-N 2.78Å; S1532-Q1535 PolarHBondContact O-N 2.97Å; Q1533-Q1535 VanDerWaalsContact C-N 3.32Å; Q1533-Q1535 PolarHBondContact O-N 3.04Å; Q1535-L1538 PolarHBondContact O-N 3.47Å; Q1535-N1539 WeakPolarHBondContact O-CB 3.21Å; Q1535-N1539 PolarHBondContact O-N 3.24Å; Q1535-N1539 PolarHBondContact O-OD1 3.25Å |
| 1536 | S | 84.9 | Confident | 85.8 | Confident | 58 Ų | 58 | 95.7 Ų | 95.7 | 41% | 0.406 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -64.6 | -44.6 | 169 | -174 | 0 | 0 | 0 | 0 | 111.6 | S1532 Q1533 L1538 N1539 Q1540 | S1532-S1536 VanDerWaalsContact O-CB 3.32Å; S1532-S1536 WeakPolarHBondContact O-CB 3.47Å; S1532-S1536 PolarHBondContact O-N 2.77Å; Q1533-S1536 PolarHBondContact O-N 3.02Å; S1536-L1538 VanDerWaalsContact C-N 3.35Å; S1536-L1538 PolarHBondContact O-N 3.49Å; S1536-N1539 PolarHBondContact O-N 3.24Å; S1536-Q1540 WeakPolarHBondContact O-CB 3.09Å; S1536-Q1540 WeakPolarHBondContact O-CG 3.31Å; S1536-Q1540 PolarHBondContact O-N 3.46Å |
| 1537 | L | 85.3 | Confident | 85.6 | Confident | 90 Ų | 90 | 94.7 Ų | 94.7 | 47% | 0.471 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -64.7 | -36.3 | 173.4 | -73.2 | 167.1 | 0 | 0 | 0 | 112.3 | Q1533 L1534 Q1540 N1541 | Q1533-L1537 WeakPolarHBondContact O-CB 3.33Å; Q1533-L1537 WeakPolarHBondContact O-CG 3.16Å; Q1533-L1537 PolarHBondContact O-N 3.31Å; L1534-L1537 PolarHBondContact O-N 3.38Å; L1537-Q1540 PolarHBondContact O-N 3.13Å; L1537-N1541 WeakPolarHBondContact O-CB 3.37Å; L1537-N1541 VanDerWaalsContact O-CG 3.27Å; L1537-N1541 PolarHBondContact O-N 3.18Å; L1537-N1541 PolarHBondContact O-ND2 2.97Å |
| 1538 | L | 86.3 | Confident | 85.3 | Confident | 93 Ų | 93 | 93.2 Ų | 93.2 | 49% | 0.487 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -64.8 | -45 | 173.5 | -177.2 | 63.1 | 0 | 0 | 0 | 111 | L1534 Q1535 S1536 N1541 Q1542 | L1534-L1538 VanDerWaalsContact O-CB 3.3Å; L1534-L1538 WeakPolarHBondContact O-CB 3.35Å; L1534-L1538 PolarHBondContact O-N 3.2Å; Q1535-L1538 PolarHBondContact O-N 3.47Å; S1536-L1538 VanDerWaalsContact C-N 3.35Å; S1536-L1538 PolarHBondContact O-N 3.49Å; L1538-N1541 PolarHBondContact O-N 3.41Å; L1538-Q1542 WeakPolarHBondContact O-CG 3.46Å; L1538-Q1542 PolarHBondContact O-N 3.47Å |
| 1539 | N | 85.6 | Confident | 85.1 | Confident | 80 Ų | 80 | 92.3 Ų | 92.3 | 43% | 0.428 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.3 | -43.9 | 175.1 | -71 | 3.1 | 0 | 0 | 0 | 111.3 | Q1535 S1536 N1541 Q1542 E1543 | Q1535-N1539 WeakPolarHBondContact O-CB 3.21Å; Q1535-N1539 PolarHBondContact O-N 3.24Å; Q1535-N1539 PolarHBondContact O-OD1 3.25Å; S1536-N1539 PolarHBondContact O-N 3.24Å; N1539-N1541 VanDerWaalsContact C-N 3.34Å; N1539-N1541 PolarHBondContact O-N 3.13Å; N1539-Q1542 CarbonylContact O-C 3.52Å; N1539-Q1542 WeakPolarHBondContact O-CA 3.4Å; N1539-Q1542 WeakPolarHBondContact O-CB 3.35Å; N1539-Q1542 PolarHBondContact O-N 3.09Å; N1539-Q1542 VanDerWaalsContact O-N 3.09Å; N1539-E1543 PolarHBondContact O-N 3.11Å |
| 1540 | Q | 85.9 | Confident | 84.7 | Confident | 95 Ų | 95 | 95.9 Ų | 95.9 | 44% | 0.444 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -60.6 | -41.3 | 174.3 | -75.8 | 178.1 | -7.7 | 0 | 0 | 111.9 | S1536 L1537 Q1542 E1543 I1544 | S1536-Q1540 WeakPolarHBondContact O-CB 3.09Å; S1536-Q1540 WeakPolarHBondContact O-CG 3.31Å; S1536-Q1540 PolarHBondContact O-N 3.46Å; L1537-Q1540 PolarHBondContact O-N 3.13Å; Q1540-Q1542 VanDerWaalsContact C-N 3.32Å; Q1540-Q1542 PolarHBondContact O-N 2.95Å; Q1540-E1543 PolarHBondContact O-N 3.15Å; Q1540-I1544 WeakPolarHBondContact O-CB 3.28Å; Q1540-I1544 WeakPolarHBondContact O-CD1 3.37Å; Q1540-I1544 WeakPolarHBondContact O-CG1 3.25Å; Q1540-I1544 PolarHBondContact O-N 3.27Å |
| 1541 | N | 86.3 | Confident | 84.3 | Confident | 105 Ų | 105 | 95.7 Ų | 95.7 | 56% | 0.561 | 51% | 0.508 | S | S | * | . | H | α-helix | trans | -64.7 | -35.4 | 173.6 | -75.7 | -44.1 | 0 | 0 | 0 | 112.1 | L1537 L1538 N1539 L1545 | L1537-N1541 WeakPolarHBondContact O-CB 3.37Å; L1537-N1541 VanDerWaalsContact O-CG 3.27Å; L1537-N1541 PolarHBondContact O-N 3.18Å; L1537-N1541 PolarHBondContact O-ND2 2.97Å; L1538-N1541 PolarHBondContact O-N 3.41Å; N1539-N1541 VanDerWaalsContact C-N 3.34Å; N1539-N1541 PolarHBondContact O-N 3.13Å; N1541-L1545 VanDerWaalsContact O-CB 3.26Å; N1541-L1545 WeakPolarHBondContact O-CB 3.17Å; N1541-L1545 PolarHBondContact O-N 3.46Å |
| 1542 | Q | 86.1 | Confident | 84 | Confident | 114 Ų | 114 | 94 Ų | 94 | 53% | 0.533 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -69.9 | -38.6 | 173.3 | -71.5 | 176.1 | 11.9 | 0 | 0 | 112.4 | L1538 N1539 Q1540 L1545 A1546 | L1538-Q1542 WeakPolarHBondContact O-CG 3.46Å; L1538-Q1542 PolarHBondContact O-N 3.47Å; N1539-Q1542 CarbonylContact O-C 3.52Å; N1539-Q1542 WeakPolarHBondContact O-CA 3.4Å; N1539-Q1542 WeakPolarHBondContact O-CB 3.35Å; N1539-Q1542 PolarHBondContact O-N 3.09Å; N1539-Q1542 VanDerWaalsContact O-N 3.09Å; Q1540-Q1542 VanDerWaalsContact C-N 3.32Å; Q1540-Q1542 PolarHBondContact O-N 2.95Å; Q1542-L1545 PolarHBondContact O-N 3.16Å; Q1542-A1546 VanDerWaalsContact O-CB 3.28Å; Q1542-A1546 WeakPolarHBondContact O-CB 3.46Å; Q1542-A1546 PolarHBondContact O-N 3.43Å |
| 1543 | E | 83.1 | Confident | 83.9 | Confident | 138 Ų | 138 | 96.7 Ų | 96.7 | 65% | 0.645 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.5 | -38.5 | 173.7 | -73.3 | -172.4 | 136.2 | 0 | 0 | 112.2 | N1539 Q1540 A1546 S1547 | N1539-E1543 PolarHBondContact O-N 3.11Å; Q1540-E1543 PolarHBondContact O-N 3.15Å; E1543-A1546 PolarHBondContact O-N 2.8Å; E1543-S1547 VanDerWaalsContact O-CB 3.25Å; E1543-S1547 WeakPolarHBondContact O-CB 3.19Å; E1543-S1547 PolarHBondContact O-N 3.42Å; E1543-S1547 PolarHBondContact O-OG 2.92Å |
| 1544 | I | 82.4 | Confident | 83.5 | Confident | 99 Ų | 99 | 95.3 Ų | 95.3 | 51% | 0.508 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -66 | -40.7 | 173.1 | -69.8 | 165.6 | 0 | 0 | 0 | 110.1 | Q1540 S1547 T1548 | Q1540-I1544 WeakPolarHBondContact O-CB 3.28Å; Q1540-I1544 WeakPolarHBondContact O-CD1 3.37Å; Q1540-I1544 WeakPolarHBondContact O-CG1 3.25Å; Q1540-I1544 PolarHBondContact O-N 3.27Å; I1544-S1547 WeakPolarHBondContact CA-OG 3.19Å; I1544-S1547 PolarHBondContact O-OG 2.6Å; I1544-T1548 WeakPolarHBondContact O-CB 3.4Å; I1544-T1548 WeakPolarHBondContact O-CG2 3.39Å; I1544-T1548 PolarHBondContact O-N 2.79Å; I1544-T1548 PolarHBondContact O-OG1 2.85Å |
| 1545 | L | 86.6 | Confident | 83.1 | Confident | 103 Ų | 103 | 95.9 Ų | 95.9 | 54% | 0.539 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -65.4 | -44.8 | 174.1 | -175.4 | 61.3 | 0 | 0 | 0 | 111.8 | N1541 Q1542 T1548 L1549 | N1541-L1545 VanDerWaalsContact O-CB 3.26Å; N1541-L1545 WeakPolarHBondContact O-CB 3.17Å; N1541-L1545 PolarHBondContact O-N 3.46Å; Q1542-L1545 PolarHBondContact O-N 3.16Å; L1545-T1548 WeakPolarHBondContact CA-OG1 3.42Å; L1545-T1548 PolarHBondContact O-N 3.35Å; L1545-T1548 PolarHBondContact O-OG1 3.26Å; L1545-L1549 HydrophobicContact CD1-CD1 4.44Å; L1545-L1549 HydrophobicContact CG-CD1 4.18Å; L1545-L1549 WeakPolarHBondContact O-CB 3.28Å; L1545-L1549 VanDerWaalsContact O-CG 3.25Å; L1545-L1549 WeakPolarHBondContact O-CG 3.21Å; L1545-L1549 PolarHBondContact O-N 3.17Å |
| 1546 | A | 83.4 | Confident | 82.8 | Confident | 57 Ų | 57 | 94.5 Ų | 94.5 | 47% | 0.471 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -66.3 | -39.1 | 178 | 0 | 0 | 0 | 0 | 0 | 112.4 | Q1542 E1543 K1550 | Q1542-A1546 VanDerWaalsContact O-CB 3.28Å; Q1542-A1546 WeakPolarHBondContact O-CB 3.46Å; Q1542-A1546 PolarHBondContact O-N 3.43Å; E1543-A1546 PolarHBondContact O-N 2.8Å; A1546-K1550 VanDerWaalsContact O-CB 3.28Å; A1546-K1550 WeakPolarHBondContact O-CB 3.28Å; A1546-K1550 PolarHBondContact O-N 3.2Å |
| 1547 | S | 82.1 | Confident | 82.4 | Confident | 55 Ų | 55 | 95.2 Ų | 95.2 | 39% | 0.385 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -73.7 | -33.8 | 176.8 | 58.1 | 0 | 0 | 0 | 0 | 112.7 | E1543 I1544 N1551 | E1543-S1547 VanDerWaalsContact O-CB 3.25Å; E1543-S1547 WeakPolarHBondContact O-CB 3.19Å; E1543-S1547 PolarHBondContact O-N 3.42Å; E1543-S1547 PolarHBondContact O-OG 2.92Å; I1544-S1547 WeakPolarHBondContact CA-OG 3.19Å; I1544-S1547 PolarHBondContact O-OG 2.6Å; S1547-N1551 VanDerWaalsContact O-CB 3.25Å; S1547-N1551 WeakPolarHBondContact O-CB 3.46Å; S1547-N1551 PolarHBondContact O-N 2.92Å; S1547-N1551 PolarHBondContact O-ND2 3.38Å |
| 1548 | T | 81 | Confident | 82 | Confident | 68 Ų | 68 | 96.2 Ų | 96.2 | 42% | 0.417 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -68.8 | -40.8 | 170.5 | 48.2 | 0 | 0 | 0 | 0 | 111.9 | I1544 L1545 N1551 C1552 | I1544-T1548 WeakPolarHBondContact O-CB 3.4Å; I1544-T1548 WeakPolarHBondContact O-CG2 3.39Å; I1544-T1548 PolarHBondContact O-N 2.79Å; I1544-T1548 PolarHBondContact O-OG1 2.85Å; L1545-T1548 WeakPolarHBondContact CA-OG1 3.42Å; L1545-T1548 PolarHBondContact O-N 3.35Å; L1545-T1548 PolarHBondContact O-OG1 3.26Å; T1548-N1551 CarbonylContact O-C 3.37Å; T1548-N1551 PolarHBondContact O-N 3.27Å; T1548-C1552 PolarHBondContact O-N 3.25Å; T1548-C1552 PolarHBondContact O-SG 3.22Å; T1548-C1552 VanDerWaalsContact O-SG 3.33Å |
| 1549 | L | 84.7 | Confident | 81.5 | Confident | 105 Ų | 105 | 96.2 Ų | 96.2 | 55% | 0.55 | 51% | 0.509 | S | S | . | . | H | α-helix | trans | -60.4 | -46.7 | 171.5 | -73.7 | 169.1 | 0 | 0 | 0 | 112 | L1545 N1551 C1552 E1553 | L1545-L1549 HydrophobicContact CD1-CD1 4.44Å; L1545-L1549 HydrophobicContact CG-CD1 4.18Å; L1545-L1549 WeakPolarHBondContact O-CB 3.28Å; L1545-L1549 VanDerWaalsContact O-CG 3.25Å; L1545-L1549 WeakPolarHBondContact O-CG 3.21Å; L1545-L1549 PolarHBondContact O-N 3.17Å; L1549-N1551 VanDerWaalsContact C-N 3.32Å; L1549-N1551 PolarHBondContact O-N 3.2Å; L1549-C1552 CarbonylContact O-C 3.52Å; L1549-C1552 WeakPolarHBondContact O-CA 3.36Å; L1549-C1552 WeakPolarHBondContact O-CB 3.33Å; L1549-C1552 PolarHBondContact O-N 2.94Å; L1549-C1552 VanDerWaalsContact O-N 3.07Å; L1549-E1553 PolarHBondContact O-N 3.06Å |
| 1550 | K | 79.8 | Confident | 81.2 | Confident | 131 Ų | 131 | 94.2 Ų | 94.2 | 57% | 0.57 | 51% | 0.507 | S | S | * | . | H | α-helix | trans | -64.4 | -34.7 | 175.8 | -173 | 171.6 | -176.3 | 173.4 | 0 | 112.6 | A1546 E1553 N1554 | A1546-K1550 VanDerWaalsContact O-CB 3.28Å; A1546-K1550 WeakPolarHBondContact O-CB 3.28Å; A1546-K1550 PolarHBondContact O-N 3.2Å; K1550-E1553 PolarHBondContact O-N 3.3Å; K1550-N1554 WeakPolarHBondContact O-CB 3.19Å; K1550-N1554 PolarHBondContact O-N 3.24Å; K1550-N1554 PolarHBondContact O-ND2 2.84Å |
| 1551 | N | 79.2 | Confident | 81 | Confident | 86 Ų | 86 | 94.1 Ų | 94.1 | 46% | 0.46 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70 | -31.9 | 171.9 | -74.8 | -18.8 | 0 | 0 | 0 | 112 | S1547 T1548 L1549 N1554 H1555 | S1547-N1551 VanDerWaalsContact O-CB 3.25Å; S1547-N1551 WeakPolarHBondContact O-CB 3.46Å; S1547-N1551 PolarHBondContact O-N 2.92Å; S1547-N1551 PolarHBondContact O-ND2 3.38Å; T1548-N1551 CarbonylContact O-C 3.37Å; T1548-N1551 PolarHBondContact O-N 3.27Å; L1549-N1551 VanDerWaalsContact C-N 3.32Å; L1549-N1551 PolarHBondContact O-N 3.2Å; N1551-N1554 PolarHBondContact O-N 3.36Å; N1551-H1555 VanDerWaalsContact O-CB 3.29Å; N1551-H1555 WeakPolarHBondContact O-CB 3.27Å; N1551-H1555 PolarHBondContact O-CD2 3.28Å; N1551-H1555 PolarHBondContact O-N 3.27Å |
| 1552 | C | 78.9 | Confident | 80.5 | Confident | 78 Ų | 78 | 94.3 Ų | 94.3 | 53% | 0.527 | 51% | 0.513 | S | S | . | . | H | α-helix | trans | -66.4 | -42.9 | 168.9 | -71.3 | 0 | 0 | 0 | 0 | 111.9 | T1548 L1549 H1555 V1556 | T1548-C1552 PolarHBondContact O-N 3.25Å; T1548-C1552 PolarHBondContact O-SG 3.22Å; T1548-C1552 VanDerWaalsContact O-SG 3.33Å; L1549-C1552 CarbonylContact O-C 3.52Å; L1549-C1552 WeakPolarHBondContact O-CA 3.36Å; L1549-C1552 WeakPolarHBondContact O-CB 3.33Å; L1549-C1552 PolarHBondContact O-N 2.94Å; L1549-C1552 VanDerWaalsContact O-N 3.07Å; C1552-H1555 PolarHBondContact O-N 3.48Å; C1552-V1556 WeakPolarHBondContact O-CB 3.18Å; C1552-V1556 WeakPolarHBondContact O-CG2 3.24Å; C1552-V1556 PolarHBondContact O-N 3.16Å |
| 1553 | E | 81.6 | Confident | 80.1 | Confident | 134 Ų | 134 | 95 Ų | 95 | 63% | 0.626 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -44.6 | 172.2 | -70 | -174.8 | 127.3 | 0 | 0 | 111.8 | L1549 K1550 H1555 V1556 S1557 | L1549-E1553 PolarHBondContact O-N 3.06Å; K1550-E1553 PolarHBondContact O-N 3.3Å; E1553-H1555 PolarHBondContact O-N 2.89Å; E1553-V1556 PolarHBondContact O-N 2.94Å; E1553-S1557 WeakPolarHBondContact O-CB 3.44Å; E1553-S1557 PolarHBondContact O-N 3.19Å; E1553-S1557 PolarHBondContact O-OG 3.34Å |
| 1554 | N | 79.9 | Confident | 79.9 | Confident | 74 Ų | 74 | 95.3 Ų | 95.3 | 40% | 0.396 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -60.9 | -43.1 | 174.3 | -73.2 | -31.5 | 0 | 0 | 0 | 111.5 | K1550 N1551 S1557 Q1558 | K1550-N1554 WeakPolarHBondContact O-CB 3.19Å; K1550-N1554 PolarHBondContact O-N 3.24Å; K1550-N1554 PolarHBondContact O-ND2 2.84Å; N1551-N1554 PolarHBondContact O-N 3.36Å; N1554-S1557 PolarHBondContact O-N 3.44Å; N1554-Q1558 WeakPolarHBondContact O-CB 3.48Å; N1554-Q1558 VanDerWaalsContact O-CG 3.3Å; N1554-Q1558 WeakPolarHBondContact O-CG 3.46Å; N1554-Q1558 PolarHBondContact O-N 2.92Å |
| 1555 | H | 76.6 | Confident | 79.7 | Confident | 125 Ų | 125 | 99.1 Ų | 99.1 | 58% | 0.579 | 52% | 0.52 | S | S | * | . | H | α-helix | trans | -67.1 | -40.6 | 177.3 | -85.5 | -55.5 | 0 | 0 | 0 | 112.2 | N1551 C1552 E1553 Q1558 E1559 | N1551-H1555 VanDerWaalsContact O-CB 3.29Å; N1551-H1555 WeakPolarHBondContact O-CB 3.27Å; N1551-H1555 PolarHBondContact O-CD2 3.28Å; N1551-H1555 PolarHBondContact O-N 3.27Å; C1552-H1555 PolarHBondContact O-N 3.48Å; E1553-H1555 PolarHBondContact O-N 2.89Å; H1555-Q1558 CarbonylContact O-C 3.49Å; H1555-Q1558 PolarHBondContact O-N 3.4Å; H1555-E1559 WeakPolarHBondContact O-CB 3.19Å; H1555-E1559 PolarHBondContact O-N 3.46Å |
| 1556 | V | 79.6 | Confident | 79.3 | Confident | 97 Ų | 97 | 98.8 Ų | 98.8 | 59% | 0.588 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -64.8 | -40.5 | 173.9 | 169.1 | 0 | 0 | 0 | 0 | 111.1 | C1552 E1553 E1559 G1560 | C1552-V1556 WeakPolarHBondContact O-CB 3.18Å; C1552-V1556 WeakPolarHBondContact O-CG2 3.24Å; C1552-V1556 PolarHBondContact O-N 3.16Å; E1553-V1556 PolarHBondContact O-N 2.94Å; V1556-E1559 CarbonylContact O-C 3.46Å; V1556-E1559 WeakPolarHBondContact O-CB 3.5Å; V1556-E1559 PolarHBondContact O-N 3.15Å; V1556-G1560 PolarHBondContact O-N 3.08Å |
| 1557 | S | 76.9 | Confident | 79 | Confident | 73 Ų | 73 | 101.7 Ų | 101.7 | 51% | 0.51 | 53% | 0.525 | S | S | . | . | H | α-helix | trans | -64.8 | -43.9 | 175.8 | -54.8 | 0 | 0 | 0 | 0 | 111.6 | E1553 N1554 E1559 G1560 V1561 | E1553-S1557 WeakPolarHBondContact O-CB 3.44Å; E1553-S1557 PolarHBondContact O-N 3.19Å; E1553-S1557 PolarHBondContact O-OG 3.34Å; N1554-S1557 PolarHBondContact O-N 3.44Å; S1557-E1559 VanDerWaalsContact C-N 3.35Å; S1557-G1560 PolarHBondContact O-N 3.17Å; S1557-V1561 PolarHBondContact O-N 2.81Å |
| 1558 | Q | 76.3 | Confident | 78.7 | Confident | 111 Ų | 111 | 102.3 Ų | 102.3 | 52% | 0.519 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -65.7 | -36 | 171.9 | -74.5 | 179.2 | 5.6 | 0 | 0 | 111.7 | N1554 H1555 G1560 V1561 L1562 | N1554-Q1558 WeakPolarHBondContact O-CB 3.48Å; N1554-Q1558 VanDerWaalsContact O-CG 3.3Å; N1554-Q1558 WeakPolarHBondContact O-CG 3.46Å; N1554-Q1558 PolarHBondContact O-N 2.92Å; H1555-Q1558 CarbonylContact O-C 3.49Å; H1555-Q1558 PolarHBondContact O-N 3.4Å; Q1558-G1560 VanDerWaalsContact C-N 3.27Å; Q1558-G1560 PolarHBondContact O-N 2.82Å; Q1558-V1561 PolarHBondContact O-N 3.22Å; Q1558-L1562 WeakPolarHBondContact O-CA 3.35Å; Q1558-L1562 WeakPolarHBondContact O-CB 3.46Å; Q1558-L1562 WeakPolarHBondContact O-CG 3.35Å; Q1558-L1562 PolarHBondContact O-N 3.17Å |
| 1559 | E | 75.5 | Confident | 78.1 | Confident | 93 Ų | 93 | 104 Ų | 104 | 44% | 0.435 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -65.3 | -31.5 | 172.2 | -125.5 | -155.5 | 159.9 | 0 | 0 | 111.4 | H1555 V1556 S1557 R1563 | H1555-E1559 WeakPolarHBondContact O-CB 3.19Å; H1555-E1559 PolarHBondContact O-N 3.46Å; V1556-E1559 CarbonylContact O-C 3.46Å; V1556-E1559 WeakPolarHBondContact O-CB 3.5Å; V1556-E1559 PolarHBondContact O-N 3.15Å; S1557-E1559 VanDerWaalsContact C-N 3.35Å; E1559-R1563 WeakPolarHBondContact O-CB 3.48Å; E1559-R1563 WeakPolarHBondContact O-CG 3.34Å; E1559-R1563 PolarHBondContact O-N 3.37Å; E1559-R1563 IonicContact OE1-CZ 3.63Å; E1559-R1563 IonicContact OE1-NH1 2.68Å; E1559-R1563 IonicContact OE1-NH2 3.88Å; E1559-R1563 PolarHBondContact OE1-NH2 3.22Å; E1559-R1563 IonicContact OE2-CZ 3.24Å; E1559-R1563 IonicContact OE2-NH1 3.71Å; E1559-R1563 PolarHBondContact OE2-NH1 3.44Å; E1559-R1563 IonicContact OE2-NH2 2.69Å; E1559-R1563 PolarHBondContact OE2-NH2 3.37Å |
| 1560 | G | 80.3 | Confident | 77.7 | Confident | 37 Ų | 37 | 103 Ų | 103 | 38% | 0.381 | 53% | 0.527 | S | S | . | . | H | α-helix | trans | -63.5 | -55.8 | 170.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V1556 S1557 Q1558 L1562 R1563 E1564 | V1556-G1560 PolarHBondContact O-N 3.08Å; S1557-G1560 PolarHBondContact O-N 3.17Å; Q1558-G1560 VanDerWaalsContact C-N 3.27Å; Q1558-G1560 PolarHBondContact O-N 2.82Å; G1560-L1562 VanDerWaalsContact C-N 3.29Å; G1560-L1562 PolarHBondContact O-N 3.15Å; G1560-R1563 PolarHBondContact O-N 2.93Å; G1560-R1563 VanDerWaalsContact O-N 3.15Å; G1560-E1564 PolarHBondContact O-N 2.6Å |
| 1561 | V | 79.9 | Confident | 77.3 | Confident | 93 Ų | 93 | 106 Ų | 106 | 56% | 0.564 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.1 | -37.1 | 177.4 | 176.8 | 0 | 0 | 0 | 0 | 111.6 | S1557 Q1558 R1565 | S1557-V1561 PolarHBondContact O-N 2.81Å; Q1558-V1561 PolarHBondContact O-N 3.22Å; V1561-R1565 VanDerWaalsContact O-CB 3.25Å; V1561-R1565 WeakPolarHBondContact O-CB 3.24Å; V1561-R1565 PolarHBondContact O-N 3.45Å |
| 1562 | L | 75.6 | Confident | 77 | Confident | 109 Ų | 109 | 107.3 Ų | 107.3 | 57% | 0.571 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -72.3 | -35.7 | 174.8 | -72.7 | 171.7 | 0 | 0 | 0 | 111.8 | Q1558 G1560 R1565 L1566 | Q1558-L1562 WeakPolarHBondContact O-CA 3.35Å; Q1558-L1562 WeakPolarHBondContact O-CB 3.46Å; Q1558-L1562 WeakPolarHBondContact O-CG 3.35Å; Q1558-L1562 PolarHBondContact O-N 3.17Å; G1560-L1562 VanDerWaalsContact C-N 3.29Å; G1560-L1562 PolarHBondContact O-N 3.15Å; L1562-R1565 CarbonylContact O-C 3.6Å; L1562-R1565 PolarHBondContact O-N 3.24Å; L1562-L1566 WeakPolarHBondContact O-CA 3.39Å; L1562-L1566 WeakPolarHBondContact O-CB 3.33Å; L1562-L1566 PolarHBondContact O-N 3.06Å |
| 1563 | R | 79.3 | Confident | 76.2 | Confident | 129 Ų | 129 | 107.3 Ų | 107.3 | 49% | 0.487 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -65.2 | -41 | 171.1 | -83.8 | -179.6 | -176 | 101.5 | 9.4 | 111.4 | E1559 G1560 L1566 L1567 | E1559-R1563 WeakPolarHBondContact O-CB 3.48Å; E1559-R1563 WeakPolarHBondContact O-CG 3.34Å; E1559-R1563 PolarHBondContact O-N 3.37Å; E1559-R1563 IonicContact OE1-CZ 3.63Å; E1559-R1563 IonicContact OE1-NH1 2.68Å; E1559-R1563 IonicContact OE1-NH2 3.88Å; E1559-R1563 PolarHBondContact OE1-NH2 3.22Å; E1559-R1563 IonicContact OE2-CZ 3.24Å; E1559-R1563 IonicContact OE2-NH1 3.71Å; E1559-R1563 PolarHBondContact OE2-NH1 3.44Å; E1559-R1563 IonicContact OE2-NH2 2.69Å; E1559-R1563 PolarHBondContact OE2-NH2 3.37Å; G1560-R1563 PolarHBondContact O-N 2.93Å; G1560-R1563 VanDerWaalsContact O-N 3.15Å; R1563-L1566 CarbonylContact O-C 3.57Å; R1563-L1566 PolarHBondContact O-N 3.34Å; R1563-L1567 WeakPolarHBondContact O-CB 3.44Å; R1563-L1567 VanDerWaalsContact O-CG 3.32Å; R1563-L1567 WeakPolarHBondContact O-CG 3.21Å; R1563-L1567 PolarHBondContact O-N 2.83Å |
| 1564 | E | 77.3 | Confident | 75.5 | Confident | 144 Ų | 144 | 107.8 Ų | 107.8 | 67% | 0.673 | 53% | 0.531 | S | S | * | . | H | α-helix | trans | -66 | -42.5 | 175.9 | -167.9 | 172.2 | -125.4 | 0 | 0 | 111.1 | G1560 L1566 L1567 S1568 | G1560-E1564 PolarHBondContact O-N 2.6Å; E1564-L1566 VanDerWaalsContact C-N 3.33Å; E1564-L1566 PolarHBondContact O-N 3.43Å; E1564-L1567 PolarHBondContact O-N 3.45Å; E1564-S1568 PolarHBondContact O-N 2.81Å |
| 1565 | R | 78.2 | Confident | 74.9 | Confident | 180 Ų | 180 | 109.8 Ų | 109.8 | 68% | 0.679 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -69.3 | -27.5 | 172.1 | -162.7 | 168 | -171.5 | 132.7 | 1 | 112.9 | V1561 L1562 M1569 | V1561-R1565 VanDerWaalsContact O-CB 3.25Å; V1561-R1565 WeakPolarHBondContact O-CB 3.24Å; V1561-R1565 PolarHBondContact O-N 3.45Å; L1562-R1565 CarbonylContact O-C 3.6Å; L1562-R1565 PolarHBondContact O-N 3.24Å; R1565-M1569 VanDerWaalsContact O-CB 3.24Å; R1565-M1569 WeakPolarHBondContact O-CB 3.42Å; R1565-M1569 WeakPolarHBondContact O-CG 3.44Å; R1565-M1569 PolarHBondContact O-N 3.14Å |
| 1566 | L | 79.5 | Confident | 74.1 | Confident | 95 Ų | 95 | 108.4 Ų | 108.4 | 50% | 0.497 | 53% | 0.534 | S | S | . | . | H | α-helix | trans | -77.6 | -28 | 172.8 | -164.9 | 90 | 0 | 0 | 0 | 111.2 | L1562 R1563 E1564 M1569 H1570 | L1562-L1566 WeakPolarHBondContact O-CA 3.39Å; L1562-L1566 WeakPolarHBondContact O-CB 3.33Å; L1562-L1566 PolarHBondContact O-N 3.06Å; R1563-L1566 CarbonylContact O-C 3.57Å; R1563-L1566 PolarHBondContact O-N 3.34Å; E1564-L1566 VanDerWaalsContact C-N 3.33Å; E1564-L1566 PolarHBondContact O-N 3.43Å; L1566-M1569 CarbonylContact O-C 3.53Å; L1566-H1570 WeakPolarHBondContact O-CA 3.41Å; L1566-H1570 WeakPolarHBondContact O-CB 3.12Å; L1566-H1570 PolarHBondContact O-CD2 2.7Å; L1566-H1570 PolarHBondContact O-N 2.86Å |
| 1567 | L | 76.6 | Confident | 72.7 | Confident | 118 Ų | 118 | 107.2 Ų | 107.2 | 62% | 0.618 | 52% | 0.522 | S | S | * | . | H | α-helix | trans | -72.8 | -41.6 | 170.1 | -76.7 | 166 | 0 | 0 | 0 | 110.8 | R1563 E1564 H1570 R1571 | R1563-L1567 WeakPolarHBondContact O-CB 3.44Å; R1563-L1567 VanDerWaalsContact O-CG 3.32Å; R1563-L1567 WeakPolarHBondContact O-CG 3.21Å; R1563-L1567 PolarHBondContact O-N 2.83Å; E1564-L1567 PolarHBondContact O-N 3.45Å; L1567-H1570 PolarHBondContact O-N 3.11Å; L1567-R1571 PolarHBondContact O-N 2.94Å |
| 1568 | S | 76.8 | Confident | 71.6 | Confident | 69 Ų | 69 | 111.1 Ų | 111.1 | 48% | 0.483 | 53% | 0.533 | S | S | . | . | H | α-helix | trans | -61.4 | -49 | 169.6 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | E1564 H1570 R1571 Q1572 | E1564-S1568 PolarHBondContact O-N 2.81Å; S1568-H1570 VanDerWaalsContact C-N 3.29Å; S1568-H1570 PolarHBondContact O-N 3.46Å; S1568-R1571 PolarHBondContact O-N 3.42Å; S1568-Q1572 PolarHBondContact O-N 3.46Å; S1568-Q1572 VanDerWaalsContact O-N 3.09Å |
| 1569 | M | 68.3 | Low | 70.7 | Confident | 103 Ų | 103 | 112.1 Ų | 112.1 | 51% | 0.507 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -65.3 | -26.2 | 171.7 | -81 | -168 | 69 | 0 | 0 | 112.7 | R1565 L1566 Q1572 K1573 | R1565-M1569 VanDerWaalsContact O-CB 3.24Å; R1565-M1569 WeakPolarHBondContact O-CB 3.42Å; R1565-M1569 WeakPolarHBondContact O-CG 3.44Å; R1565-M1569 PolarHBondContact O-N 3.14Å; L1566-M1569 CarbonylContact O-C 3.53Å; M1569-Q1572 CarbonylContact O-C 3.6Å; M1569-Q1572 PolarHBondContact O-N 3.4Å; M1569-K1573 VanDerWaalsContact O-CA 3.3Å; M1569-K1573 WeakPolarHBondContact O-CA 3.26Å; M1569-K1573 WeakPolarHBondContact O-CB 3.48Å; M1569-K1573 PolarHBondContact O-N 3.26Å |
| 1570 | H | 74.8 | Confident | 69.4 | Low | 84 Ų | 84 | 110 Ų | 110 | 39% | 0.389 | 53% | 0.528 | S | S | . | . | H | α-helix | trans | -74 | -30.2 | 174.2 | -99.9 | -69.9 | 0 | 0 | 0 | 111.7 | L1566 L1567 S1568 Q1574 | L1566-H1570 WeakPolarHBondContact O-CA 3.41Å; L1566-H1570 WeakPolarHBondContact O-CB 3.12Å; L1566-H1570 PolarHBondContact O-CD2 2.7Å; L1566-H1570 PolarHBondContact O-N 2.86Å; L1567-H1570 PolarHBondContact O-N 3.11Å; S1568-H1570 VanDerWaalsContact C-N 3.29Å; S1568-H1570 PolarHBondContact O-N 3.46Å; H1570-Q1574 VanDerWaalsContact O-CB 3.22Å; H1570-Q1574 WeakPolarHBondContact O-CB 3.4Å; H1570-Q1574 PolarHBondContact O-N 2.86Å |
| 1571 | R | 72.5 | Confident | 67.9 | Low | 194 Ų | 194 | 115.1 Ų | 115.1 | 73% | 0.732 | 54% | 0.544 | S | S | * | . | H | α-helix | trans | -65.8 | -45 | 168.2 | -68.8 | 174.8 | 178.4 | 173.1 | 0.4 | 111 | L1567 S1568 Q1575 | L1567-R1571 PolarHBondContact O-N 2.94Å; S1568-R1571 PolarHBondContact O-N 3.42Å; R1571-Q1575 VanDerWaalsContact O-CG 3.31Å; R1571-Q1575 WeakPolarHBondContact O-CG 3.43Å; R1571-Q1575 PolarHBondContact O-N 3.35Å |
| 1572 | Q | 71.8 | Confident | 66.3 | Low | 113 Ų | 113 | 118.1 Ų | 118.1 | 53% | 0.528 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -70.8 | -31.2 | 174.4 | -69.7 | -172.4 | -31.5 | 0 | 0 | 113.6 | S1568 M1569 Q1575 L1576 | S1568-Q1572 PolarHBondContact O-N 3.46Å; S1568-Q1572 VanDerWaalsContact O-N 3.09Å; M1569-Q1572 CarbonylContact O-C 3.6Å; M1569-Q1572 PolarHBondContact O-N 3.4Å; Q1572-Q1575 CarbonylContact O-C 3.59Å; Q1572-Q1575 WeakPolarHBondContact O-CB 3.49Å; Q1572-Q1575 PolarHBondContact O-N 2.98Å; Q1572-L1576 WeakPolarHBondContact O-CB 3.4Å; Q1572-L1576 VanDerWaalsContact O-CG 3.24Å; Q1572-L1576 WeakPolarHBondContact O-CG 3.28Å; Q1572-L1576 PolarHBondContact O-N 3.3Å |
| 1573 | K | 64.1 | Low | 64.9 | Low | 79 Ų | 79 | 119.6 Ų | 119.6 | 34% | 0.343 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -82.4 | -24.6 | -179.7 | -178.8 | 177 | 174.3 | -79.4 | 0 | 111 | M1569 L1576 E1577 | M1569-K1573 VanDerWaalsContact O-CA 3.3Å; M1569-K1573 WeakPolarHBondContact O-CA 3.26Å; M1569-K1573 WeakPolarHBondContact O-CB 3.48Å; M1569-K1573 PolarHBondContact O-N 3.26Å; K1573-L1576 CarbonylContact O-C 3.57Å; K1573-L1576 PolarHBondContact O-N 3.42Å; K1573-E1577 VanDerWaalsContact CE-OE1 3.28Å; K1573-E1577 WeakPolarHBondContact CE-OE1 3.38Å; K1573-E1577 HydrophobicContact CG-CG 3.83Å; K1573-E1577 WeakPolarHBondContact CG-OE2 3.36Å; K1573-E1577 IonicContact NZ-OE1 3.19Å; K1573-E1577 PolarHBondContact NZ-OE1 3.33Å; K1573-E1577 IonicContact NZ-OE2 2.64Å; K1573-E1577 PolarHBondContact NZ-OE2 3.33Å; K1573-E1577 WeakPolarHBondContact O-CA 3.22Å; K1573-E1577 WeakPolarHBondContact O-CB 3.38Å; K1573-E1577 WeakPolarHBondContact O-CG 3.41Å; K1573-E1577 PolarHBondContact O-N 2.87Å |
| 1574 | Q | 66.1 | Low | 62.9 | Low | 143 Ų | 143 | 122.4 Ų | 122.4 | 67% | 0.668 | 57% | 0.568 | S | S | * | * | H | α-helix | trans | -64.5 | -45.7 | 162.2 | -167.7 | 168.4 | 9.3 | 0 | 0 | 109.6 | H1570 L1576 E1578 | H1570-Q1574 VanDerWaalsContact O-CB 3.22Å; H1570-Q1574 WeakPolarHBondContact O-CB 3.4Å; H1570-Q1574 PolarHBondContact O-N 2.86Å; Q1574-L1576 PolarHBondContact O-N 3.41Å; Q1574-L1576 VanDerWaalsContact O-N 3.16Å; Q1574-E1578 VanDerWaalsContact O-CB 3.27Å; Q1574-E1578 WeakPolarHBondContact O-CB 3.34Å; Q1574-E1578 PolarHBondContact O-N 3.48Å |
| 1575 | Q | 67 | Low | 61.4 | Low | 117 Ų | 117 | 126.3 Ų | 126.3 | 55% | 0.547 | 58% | 0.576 | S | S | . | * | H | α-helix | trans | -67.9 | -6.3 | 173.6 | -64.1 | 168.1 | -8.2 | 0 | 0 | 115.3 | R1571 Q1572 K1579 | R1571-Q1575 VanDerWaalsContact O-CG 3.31Å; R1571-Q1575 WeakPolarHBondContact O-CG 3.43Å; R1571-Q1575 PolarHBondContact O-N 3.35Å; Q1572-Q1575 CarbonylContact O-C 3.59Å; Q1572-Q1575 WeakPolarHBondContact O-CB 3.49Å; Q1572-Q1575 PolarHBondContact O-N 2.98Å; Q1575-K1579 WeakPolarHBondContact O-CE 3.05Å |
| 1576 | L | 60 | Low | 59.3 | Low | 95 Ų | 95 | 124 Ų | 124 | 50% | 0.497 | 58% | 0.578 | S | S | . | * | H | α-helix | trans | -118.2 | -29.2 | 177.2 | -71 | 170.1 | 0 | 0 | 0 | 112.9 | Q1572 K1573 Q1574 E1578 K1579 V1580 | Q1572-L1576 WeakPolarHBondContact O-CB 3.4Å; Q1572-L1576 VanDerWaalsContact O-CG 3.24Å; Q1572-L1576 WeakPolarHBondContact O-CG 3.28Å; Q1572-L1576 PolarHBondContact O-N 3.3Å; K1573-L1576 CarbonylContact O-C 3.57Å; K1573-L1576 PolarHBondContact O-N 3.42Å; Q1574-L1576 PolarHBondContact O-N 3.41Å; Q1574-L1576 VanDerWaalsContact O-N 3.16Å; L1576-E1578 VanDerWaalsContact C-N 3.35Å; L1576-K1579 HydrophobicContact CD2-CD 4.4Å; L1576-K1579 CarbonylContact O-C 3.44Å; L1576-K1579 VanDerWaalsContact O-CA 3.25Å; L1576-K1579 WeakPolarHBondContact O-CA 3.4Å; L1576-K1579 WeakPolarHBondContact O-CB 3.32Å; L1576-K1579 PolarHBondContact O-N 3.37Å; L1576-V1580 WeakPolarHBondContact O-CB 3.39Å; L1576-V1580 WeakPolarHBondContact O-CG2 3.43Å; L1576-V1580 PolarHBondContact O-N 3.34Å |
| 1577 | E | 50.2 | Low | 57.4 | Low | 72 Ų | 72 | 123.3 Ų | 123.3 | 34% | 0.336 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -74.9 | -27.2 | 170.6 | -75.5 | -178.7 | 135.1 | 0 | 0 | 111.2 | K1573 K1579 V1580 M1581 | K1573-E1577 VanDerWaalsContact CE-OE1 3.28Å; K1573-E1577 WeakPolarHBondContact CE-OE1 3.38Å; K1573-E1577 HydrophobicContact CG-CG 3.83Å; K1573-E1577 WeakPolarHBondContact CG-OE2 3.36Å; K1573-E1577 IonicContact NZ-OE1 3.19Å; K1573-E1577 PolarHBondContact NZ-OE1 3.33Å; K1573-E1577 IonicContact NZ-OE2 2.64Å; K1573-E1577 PolarHBondContact NZ-OE2 3.33Å; K1573-E1577 WeakPolarHBondContact O-CA 3.22Å; K1573-E1577 WeakPolarHBondContact O-CB 3.38Å; K1573-E1577 WeakPolarHBondContact O-CG 3.41Å; K1573-E1577 PolarHBondContact O-N 2.87Å; E1577-K1579 PolarHBondContact O-N 2.94Å; E1577-K1579 VanDerWaalsContact O-N 3.14Å; E1577-V1580 PolarHBondContact O-N 3.37Å; E1577-V1580 VanDerWaalsContact O-N 3.14Å; E1577-M1581 HydrophobicContact CB-CG 4.35Å; E1577-M1581 WeakPolarHBondContact O-CB 3.39Å; E1577-M1581 PolarHBondContact O-N 3.18Å |
| 1578 | E | 53.9 | Low | 55.7 | Low | 156 Ų | 156 | 123.4 Ų | 123.4 | 73% | 0.729 | 60% | 0.604 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.1 | -16 | 159.8 | -170.3 | 169 | -134.3 | 0 | 0 | 112.6 | Q1574 L1576 | Q1574-E1578 VanDerWaalsContact O-CB 3.27Å; Q1574-E1578 WeakPolarHBondContact O-CB 3.34Å; Q1574-E1578 PolarHBondContact O-N 3.48Å; L1576-E1578 VanDerWaalsContact C-N 3.35Å |
| 1579 | K | 57.9 | Low | 53.9 | Low | 132 Ų | 132 | 125.7 Ų | 125.7 | 57% | 0.574 | 62% | 0.62 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -113.5 | -3.1 | 174.6 | -55.8 | 175.3 | -174.6 | 163.4 | 0 | 114.1 | Q1575 L1576 E1577 | Q1575-K1579 WeakPolarHBondContact O-CE 3.05Å; L1576-K1579 HydrophobicContact CD2-CD 4.4Å; L1576-K1579 CarbonylContact O-C 3.44Å; L1576-K1579 VanDerWaalsContact O-CA 3.25Å; L1576-K1579 WeakPolarHBondContact O-CA 3.4Å; L1576-K1579 WeakPolarHBondContact O-CB 3.32Å; L1576-K1579 PolarHBondContact O-N 3.37Å; E1577-K1579 PolarHBondContact O-N 2.94Å; E1577-K1579 VanDerWaalsContact O-N 3.14Å |
| 1580 | V | 47.2 | Very low | 52.5 | Low | 48 Ų | 48 | 126.7 Ų | 126.7 | 29% | 0.291 | 64% | 0.637 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -134.3 | -18 | -167.6 | 171.6 | 0 | 0 | 0 | 0 | 113.1 | L1576 E1577 E1582 Q1583 Y1584 | L1576-V1580 WeakPolarHBondContact O-CB 3.39Å; L1576-V1580 WeakPolarHBondContact O-CG2 3.43Å; L1576-V1580 PolarHBondContact O-N 3.34Å; E1577-V1580 PolarHBondContact O-N 3.37Å; E1577-V1580 VanDerWaalsContact O-N 3.14Å; V1580-E1582 PolarHBondContact O-N 3.48Å; V1580-Q1583 CarbonylContact O-C 3.6Å; V1580-Q1583 PolarHBondContact O-N 3.13Å; V1580-Y1584 HydrophobicContact CG1-CD2 3.61Å; V1580-Y1584 HydrophobicContact CG1-CE2 4.15Å; V1580-Y1584 PolarHBondContact O-N 2.84Å |
| 1581 | M | 49.1 | Very low | 50.9 | Low | 144 Ų | 144 | 131.9 Ų | 131.9 | 71% | 0.709 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.4 | -22.9 | 151.2 | -67.4 | -152.1 | -63 | 0 | 0 | 111 | E1577 Q1583 | E1577-M1581 HydrophobicContact CB-CG 4.35Å; E1577-M1581 WeakPolarHBondContact O-CB 3.39Å; E1577-M1581 PolarHBondContact O-N 3.18Å; M1581-Q1583 PolarHBondContact O-N 2.95Å |
| 1582 | E | 46.7 | Very low | 49.3 | Very low | 156 Ų | 156 | 128.2 Ų | 128.2 | 73% | 0.729 | 66% | 0.662 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.9 | -23.4 | 165.3 | -156.2 | 63.6 | -142.4 | 0 | 0 | 112.8 | V1580 | V1580-E1582 PolarHBondContact O-N 3.48Š|
| 1583 | Q | 44.8 | Very low | 47.6 | Very low | 140 Ų | 140 | 130.6 Ų | 130.6 | 65% | 0.654 | 68% | 0.679 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -116.3 | -38.4 | -172.4 | -64.8 | -166.2 | -21.9 | 0 | 0 | 114.6 | V1580 M1581 R1585 | V1580-Q1583 CarbonylContact O-C 3.6Å; V1580-Q1583 PolarHBondContact O-N 3.13Å; M1581-Q1583 PolarHBondContact O-N 2.95Å; Q1583-R1585 PolarHBondContact O-N 3.41Å |
| 1584 | Y | 37.5 | Very low | 46.3 | Very low | 188 Ų | 188 | 134.6 Ų | 134.6 | 74% | 0.737 | 70% | 0.703 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -82.3 | 42 | 175.7 | -84 | -68.7 | 0 | 0 | 0 | 113.8 | V1580 N1586 | V1580-Y1584 HydrophobicContact CG1-CD2 3.61Å; V1580-Y1584 HydrophobicContact CG1-CE2 4.15Å; V1580-Y1584 PolarHBondContact O-N 2.84Å; Y1584-N1586 PolarHBondContact O-N 3.19Å |
| 1585 | R | 46.9 | Very low | 45.2 | Very low | 226 Ų | 226 | 133.9 Ų | 133.9 | 85% | 0.853 | 71% | 0.709 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -68.4 | -8.8 | 155.3 | -95.5 | -177.4 | 166.2 | -176.6 | -3.3 | 112.8 | Q1583 | Q1583-R1585 PolarHBondContact O-N 3.41Š|
| 1586 | N | 34.7 | Very low | 44.3 | Very low | 133 Ų | 133 | 135.3 Ų | 135.3 | 71% | 0.711 | 72% | 0.72 | S | S | * | * | S | Bend | trans | -136.4 | 116.7 | -169.3 | -52.6 | -30.5 | 0 | 0 | 0 | 114.1 | Y1584 | Y1584-N1586 PolarHBondContact O-N 3.19Š|
| 1587 | G | 37.8 | Very low | 43.7 | Very low | 79 Ų | 79 | 139.4 Ų | 139.4 | 81% | 0.814 | 74% | 0.737 | S | S | * | * | trans | 138.8 | 144.7 | 160.4 | 0 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1588 | S | 41.9 | Very low | 43.7 | Very low | 121 Ų | 121 | 143.3 Ų | 143.3 | 85% | 0.846 | 76% | 0.759 | S | S | * | * | trans | -174 | -179 | -177.1 | 57 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 1589 | S | 38.5 | Very low | 43.9 | Very low | 117 Ų | 117 | 142 Ų | 142 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | cis | -170.9 | 172 | -44.3 | 67.2 | 0 | 0 | 0 | 0 | 110.7 | ||||
| 1590 | S | 39.6 | Very low | 43.4 | Very low | 124 Ų | 124 | 141.3 Ų | 141.3 | 87% | 0.867 | 76% | 0.758 | S | S | * | * | trans | 151 | 179.1 | 155 | -163.8 | 0 | 0 | 0 | 0 | 116.9 | ||||
| 1591 | K | 40.1 | Very low | 43.8 | Very low | 193 Ų | 193 | 145.4 Ų | 145.4 | 84% | 0.839 | 77% | 0.774 | S | S | * | * | trans | -153.1 | 158.1 | -169.7 | -59.7 | 176.5 | 177.7 | 178.3 | 0 | 116 | ||||
| 1592 | S | 39.8 | Very low | 44.1 | Very low | 116 Ų | 116 | 141.9 Ų | 141.9 | 81% | 0.811 | 76% | 0.763 | S | S | * | * | 154.5 | 137.6 | 119.7 | 62.5 | 0 | 0 | 0 | 0 | 116.4 | |||||
| 1593 | D | 36.9 | Very low | 44.6 | Very low | 164 Ų | 164 | 141.3 Ų | 141.3 | 88% | 0.877 | 76% | 0.761 | S | S | * | * | trans | -161.9 | 129.6 | 170.3 | -108.5 | -44.3 | 0 | 0 | 0 | 110.5 | ||||
| 1594 | L | 35.8 | Very low | 45.5 | Very low | 162 Ų | 162 | 143.9 Ų | 143.9 | 85% | 0.848 | 77% | 0.765 | S | S | * | * | trans | -166.7 | -19.6 | 169.7 | -161.7 | 49.2 | 0 | 0 | 0 | 117.3 | N1596 | L1594-N1596 PolarHBondContact O-N 2.98Š| ||
| 1595 | T | 42.9 | Very low | 46.7 | Very low | 129 Ų | 129 | 143.9 Ų | 143.9 | 79% | 0.791 | 76% | 0.763 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.6 | -20.2 | -151.7 | -6.5 | 0 | 0 | 0 | 0 | 117.9 | ||
| 1596 | N | 47.3 | Very low | 47.3 | Very low | 146 Ų | 146 | 138.4 Ų | 138.4 | 78% | 0.781 | 75% | 0.75 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -14.2 | -161 | -70 | -29.2 | 0 | 0 | 0 | 116.1 | L1594 L1598 | L1594-N1596 PolarHBondContact O-N 2.98Å; N1596-L1598 PolarHBondContact O-N 2.97Å |
| 1597 | Q | 49.1 | Very low | 48.9 | Very low | 182 Ų | 182 | 136.5 Ų | 136.5 | 85% | 0.85 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -80.8 | -16.2 | -170 | -154.5 | 165.9 | 16.7 | 0 | 0 | 114.2 | L1599 | Q1597-L1599 VanDerWaalsContact C-N 3.31Å; Q1597-L1599 PolarHBondContact O-N 3.33Å |
| 1598 | L | 50.4 | Low | 50.3 | Low | 154 Ų | 154 | 139.3 Ų | 139.3 | 81% | 0.806 | 74% | 0.739 | S | S | * | * | G | 310 helix | trans | -74.6 | -16.8 | -177.3 | -151.7 | 77 | 0 | 0 | 0 | 114 | N1596 L1600 | N1596-L1598 PolarHBondContact O-N 2.97Å; L1598-L1600 PolarHBondContact O-N 3.31Å |
| 1599 | L | 56.5 | Low | 51.3 | Low | 128 Ų | 128 | 138 Ų | 138 | 67% | 0.67 | 72% | 0.722 | S | S | * | * | G | 310 helix | trans | -68.9 | -34.4 | -173.3 | -173.7 | 59.3 | 0 | 0 | 0 | 112.8 | Q1597 E1601 S1602 | Q1597-L1599 VanDerWaalsContact C-N 3.31Å; Q1597-L1599 PolarHBondContact O-N 3.33Å; L1599-E1601 VanDerWaalsContact C-N 3.3Å; L1599-E1601 PolarHBondContact O-N 3.48Å; L1599-S1602 PolarHBondContact O-N 3.03Å; L1599-S1602 PolarHBondContact O-OG 3.29Å |
| 1600 | L | 48.2 | Very low | 52.4 | Low | 118 Ų | 118 | 138.5 Ų | 138.5 | 62% | 0.618 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -67.7 | -26.5 | -172.5 | -171.6 | 61.2 | 0 | 0 | 0 | 113.8 | L1598 S1602 | L1598-L1600 PolarHBondContact O-N 3.31Å; L1600-S1602 VanDerWaalsContact C-N 3.34Å |
| 1601 | E | 55.3 | Low | 52.9 | Low | 134 Ų | 134 | 143.1 Ų | 143.1 | 63% | 0.626 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -72.2 | -28.2 | -177.6 | -157.1 | 62 | -148 | 0 | 0 | 112.6 | L1599 | L1599-E1601 VanDerWaalsContact C-N 3.3Å; L1599-E1601 PolarHBondContact O-N 3.48Å |
| 1602 | S | 56.5 | Low | 53.5 | Low | 69 Ų | 69 | 136.8 Ų | 136.8 | 48% | 0.483 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -76.6 | -47.2 | -168.5 | 66.9 | 0 | 0 | 0 | 0 | 113.9 | L1599 L1600 R1604 R1605 | L1599-S1602 PolarHBondContact O-N 3.03Å; L1599-S1602 PolarHBondContact O-OG 3.29Å; L1600-S1602 VanDerWaalsContact C-N 3.34Å; S1602-R1604 PolarHBondContact O-N 3.4Å; S1602-R1605 PolarHBondContact O-N 2.83Å |
| 1603 | Q | 56.3 | Low | 54.3 | Low | 145 Ų | 145 | 141 Ų | 141 | 68% | 0.678 | 69% | 0.692 | S | S | * | * | H | α-helix | trans | -72.2 | -31.2 | -170.7 | -73.6 | -178.3 | -30 | 0 | 0 | 113.4 | R1605 L1606 | Q1603-R1605 PolarHBondContact O-N 2.95Å; Q1603-L1606 PolarHBondContact O-N 3.5Å; Q1603-L1606 VanDerWaalsContact O-N 3.16Å |
| 1604 | R | 64.3 | Low | 55 | Low | 194 Ų | 194 | 137.2 Ų | 137.2 | 73% | 0.732 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -65.8 | -23.8 | -179.8 | -71 | -176.7 | 173.8 | -173.6 | -1.6 | 113.5 | S1602 | S1602-R1604 PolarHBondContact O-N 3.4Å |
| 1605 | R | 61.4 | Low | 55.6 | Low | 187 Ų | 187 | 133.6 Ų | 133.6 | 71% | 0.706 | 68% | 0.676 | S | S | * | * | H | α-helix | trans | -75.7 | -23.9 | 175.6 | -69.6 | -174.1 | 174.1 | -156 | -2.3 | 113.3 | S1602 Q1603 | S1602-R1605 PolarHBondContact O-N 2.83Å; Q1603-R1605 PolarHBondContact O-N 2.95Å |
| 1606 | L | 61.1 | Low | 55.7 | Low | 111 Ų | 111 | 134.4 Ų | 134.4 | 58% | 0.581 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -75.9 | -40.7 | -170.9 | -169 | 64.3 | 0 | 0 | 0 | 113.1 | Q1603 L1608 I1609 | Q1603-L1606 PolarHBondContact O-N 3.5Å; Q1603-L1606 VanDerWaalsContact O-N 3.16Å; L1606-L1608 PolarHBondContact O-N 3.03Å; L1606-I1609 PolarHBondContact O-N 3.41Å |
| 1607 | T | 67.7 | Low | 55.1 | Low | 93 Ų | 93 | 135 Ų | 135 | 57% | 0.571 | 68% | 0.678 | S | S | * | * | H | α-helix | trans | -72 | -26.5 | -178.3 | 44.5 | 0 | 0 | 0 | 0 | 113.6 | ||
| 1608 | L | 65.9 | Low | 54.2 | Low | 139 Ų | 139 | 135 Ų | 135 | 73% | 0.728 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.4 | -40.3 | 175.8 | -159.5 | 76.7 | 0 | 0 | 0 | 111.5 | L1606 Q1610 R1611 | L1606-L1608 PolarHBondContact O-N 3.03Å; L1608-Q1610 PolarHBondContact O-N 3.35Å; L1608-R1611 PolarHBondContact O-N 2.92Å |
| 1609 | I | 64.3 | Low | 53.2 | Low | 92 Ų | 92 | 136.4 Ų | 136.4 | 47% | 0.472 | 68% | 0.677 | S | S | . | * | H | α-helix | trans | -69.2 | -34.5 | -177.5 | -64.4 | 170.4 | 0 | 0 | 0 | 111.6 | L1606 R1611 A1612 | L1606-I1609 PolarHBondContact O-N 3.41Å; I1609-R1611 VanDerWaalsContact C-N 3.32Å; I1609-R1611 PolarHBondContact O-N 2.89Å; I1609-A1612 PolarHBondContact O-N 3.49Å |
| 1610 | Q | 60.4 | Low | 51.9 | Low | 129 Ų | 129 | 138.4 Ų | 138.4 | 60% | 0.603 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -64.4 | -35 | 178.5 | -71.7 | 176.5 | -28.5 | 0 | 0 | 112.3 | L1608 A1612 R1613 | L1608-Q1610 PolarHBondContact O-N 3.35Å; Q1610-A1612 VanDerWaalsContact C-N 3.33Å; Q1610-A1612 PolarHBondContact O-N 3.4Å; Q1610-R1613 PolarHBondContact O-N 2.99Å |
| 1611 | R | 50 | Low | 51 | Low | 220 Ų | 220 | 140.4 Ų | 140.4 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | H | α-helix | trans | -68.9 | -29.9 | -178.9 | -147.7 | 177.8 | -156.8 | 119.8 | 2.8 | 113.3 | L1608 I1609 | L1608-R1611 PolarHBondContact O-N 2.92Å; I1609-R1611 VanDerWaalsContact C-N 3.32Å; I1609-R1611 PolarHBondContact O-N 2.89Å |
| 1612 | A | 53.5 | Low | 50 | Low | 60 Ų | 60 | 140 Ų | 140 | 50% | 0.496 | 70% | 0.696 | S | S | . | * | H | α-helix | trans | -75.7 | -30.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | I1609 Q1610 | I1609-A1612 PolarHBondContact O-N 3.49Å; Q1610-A1612 VanDerWaalsContact C-N 3.33Å; Q1610-A1612 PolarHBondContact O-N 3.4Å |
| 1613 | R | 56.4 | Low | 48.4 | Very low | 206 Ų | 206 | 144.4 Ų | 144.4 | 78% | 0.777 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -77.4 | -23 | -174.9 | -73.1 | -175.9 | 173.1 | 175.1 | -2 | 114.5 | Q1610 | Q1610-R1613 PolarHBondContact O-N 2.99Å |
| 1614 | A | 52.3 | Low | 46.8 | Very low | 84 Ų | 84 | 143.9 Ų | 143.9 | 69% | 0.694 | 71% | 0.71 | S | S | * | * | H | α-helix | trans | -77.2 | -28 | 179.7 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||
| 1615 | A | 47.7 | Very low | 44.9 | Very low | 85 Ų | 85 | 139.8 Ų | 139.8 | 70% | 0.702 | 71% | 0.711 | S | S | * | * | H | α-helix | trans | -92.8 | -13.7 | -172.2 | 0 | 0 | 0 | 0 | 0 | 114.7 | N1617 | A1615-N1617 PolarHBondContact O-N 3.35Å |
| 1616 | L | 46.4 | Very low | 43.3 | Very low | 146 Ų | 146 | 138.7 Ų | 138.7 | 76% | 0.764 | 71% | 0.714 | S | S | * | * | trans | -84.2 | 9 | -178.9 | -92.3 | 163.8 | 0 | 0 | 0 | 114.2 | K1618 | L1616-K1618 PolarHBondContact O-N 3.16Š| ||
| 1617 | N | 33.8 | Very low | 41.6 | Very low | 160 Ų | 160 | 145 Ų | 145 | 86% | 0.856 | 73% | 0.732 | S | S | * | * | trans | -80.8 | 60.9 | -178.7 | -140.7 | 21 | 0 | 0 | 0 | 112 | A1615 | A1615-N1617 PolarHBondContact O-N 3.35Š| ||
| 1618 | K | 30.5 | Very low | 39.5 | Very low | 182 Ų | 182 | 145.9 Ų | 145.9 | 79% | 0.791 | 73% | 0.733 | S | S | * | * | trans | -98.8 | 124.3 | 166.9 | -82.8 | -173.9 | 172.8 | -176 | 0 | 109.3 | L1616 | L1616-K1618 PolarHBondContact O-N 3.16Š| ||
| 1619 | H | 28.1 | Very low | 37.6 | Very low | 182 Ų | 182 | 147.1 Ų | 147.1 | 84% | 0.843 | 73% | 0.733 | S | S | * | * | trans | 156.6 | 115.1 | 146.7 | -90.6 | -69.2 | 0 | 0 | 0 | 110.5 | ||||
| 1620 | H | 29.1 | Very low | 35.8 | Very low | 170 Ų | 170 | 149.6 Ų | 149.6 | 79% | 0.787 | 75% | 0.747 | S | S | * | * | -168.7 | 168.7 | 113.6 | -131.2 | 59.4 | 0 | 0 | 0 | 112.1 | |||||
| 1621 | F | 30.8 | Very low | 34.1 | Very low | 161 Ų | 161 | 149.8 Ų | 149.8 | 71% | 0.706 | 75% | 0.752 | S | S | * | * | trans | -72.8 | 160.2 | 179 | -66.7 | -97.6 | 0 | 0 | 0 | 112.4 | ||||
| 1622 | P | 33.3 | Very low | 32.9 | Very low | 126 Ų | 126 | 148.2 Ų | 148.2 | 82% | 0.818 | 76% | 0.759 | S | S | * | * | -129.6 | 167 | 110 | 38.2 | -32.9 | 0 | 0 | 0 | 114.2 | |||||
| 1623 | H | 23.5 | Very low | 31.6 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 75% | 0.745 | 75% | 0.754 | S | S | * | * | trans | -103 | 171 | -178.5 | -129.1 | -101.9 | 0 | 0 | 0 | 111.2 | ||||
| 1624 | N | 22.8 | Very low | 30.5 | Very low | 133 Ų | 133 | 148.4 Ų | 148.4 | 71% | 0.711 | 76% | 0.76 | S | S | * | * | trans | 84.1 | 135.8 | 151.9 | -69.1 | -2.9 | 0 | 0 | 0 | 122.9 | ||||
| 1625 | S | 24.8 | Very low | 29.2 | Very low | 108 Ų | 108 | 151.9 Ų | 151.9 | 76% | 0.755 | 77% | 0.767 | S | S | * | * | trans | 81.1 | 146.2 | 134.2 | 58.2 | 0 | 0 | 0 | 0 | 121.4 | ||||
| 1626 | E | 28.2 | Very low | 28.3 | Very low | 165 Ų | 165 | 153.9 Ų | 153.9 | 77% | 0.771 | 77% | 0.771 | S | S | * | * | trans | 62.5 | 107 | 171.4 | -52.1 | -171.5 | 159.5 | 0 | 0 | 115.3 | ||||
| 1627 | Y | 24.4 | Very low | 27.3 | Very low | 243 Ų | 243 | 153.5 Ų | 153.5 | 95% | 0.953 | 77% | 0.768 | S | S | * | * | cis | 56.8 | 43.5 | 9.1 | -98.5 | -65.5 | 0 | 0 | 0 | 115.7 | ||||
| 1628 | N | 24.5 | Very low | 27 | Very low | 111 Ų | 111 | 151.9 Ų | 151.9 | 59% | 0.594 | 77% | 0.769 | S | S | * | * | trans | -140.8 | 136.3 | 154.2 | -139 | -17.4 | 0 | 0 | 0 | 112.3 | ||||
| 1629 | K | 24.7 | Very low | 26.8 | Very low | 166 Ų | 166 | 148 Ų | 148 | 72% | 0.722 | 76% | 0.761 | S | S | * | * | trans | -3.2 | 136 | 164.9 | -59 | 156.2 | -165.1 | 172.5 | 0 | 117.6 | ||||
| 1630 | N | 26.6 | Very low | 26.5 | Very low | 143 Ų | 143 | 144.4 Ų | 144.4 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | -161.2 | 132.7 | 93.6 | -91.9 | -35.7 | 0 | 0 | 0 | 114.4 | |||||
| 1631 | N | 25.2 | Very low | 26.4 | Very low | 134 Ų | 134 | 144.2 Ų | 144.2 | 72% | 0.717 | 75% | 0.751 | S | S | * | * | trans | 6.2 | 101.6 | 156.1 | -55.3 | -7.9 | 0 | 0 | 0 | 118.9 | ||||
| 1632 | L | 25.1 | Very low | 26 | Very low | 186 Ų | 186 | 140.7 Ų | 140.7 | 97% | 0.974 | 75% | 0.746 | S | S | * | * | trans | -110.5 | 54.5 | 130.7 | -90.2 | 88.6 | 0 | 0 | 0 | 109.9 | ||||
| 1633 | G | 25.1 | Very low | 25.7 | Very low | 37 Ų | 37 | 142.7 Ų | 142.7 | 38% | 0.381 | 75% | 0.745 | S | S | . | * | S | Bend | trans | -121.2 | 143 | 161.2 | 0 | 0 | 0 | 0 | 0 | 108.3 | ||
| 1634 | Y | 32.8 | Very low | 25.9 | Very low | 234 Ų | 234 | 139.2 Ų | 139.2 | 92% | 0.918 | 74% | 0.738 | S | S | * | * | S | Bend | trans | 61.8 | 62.6 | -179.8 | -47.3 | -72 | 0 | 0 | 0 | 115 | ||
| 1635 | N | 26.6 | Very low | 26.1 | Very low | 156 Ų | 156 | 137 Ų | 137 | 83% | 0.834 | 73% | 0.733 | S | S | * | * | trans | -136.4 | 56.7 | 166 | -131.8 | -8.5 | 0 | 0 | 0 | 111.9 | ||||
| 1636 | T | 28.5 | Very low | 26.1 | Very low | 128 Ų | 128 | 142.1 Ų | 142.1 | 79% | 0.785 | 74% | 0.736 | S | S | * | * | trans | -119.1 | 78 | 173.1 | -40.7 | 0 | 0 | 0 | 0 | 110.1 | S1638 | T1636-S1638 PolarHBondContact O-N 2.82Å; T1636-S1638 VanDerWaalsContact O-N 3.14Å | ||
| 1637 | I | 24.4 | Very low | 26 | Very low | 138 Ų | 138 | 140 Ų | 140 | 71% | 0.708 | 73% | 0.73 | S | S | * | * | trans | 24.5 | 81.8 | 143.2 | -53.1 | 168.4 | 0 | 0 | 0 | 114.1 | T1639 | I1637-T1639 WeakPolarHBondContact CG2-OG1 3.46Å; I1637-T1639 PolarHBondContact O-N 3.4Å | ||
| 1638 | S | 27.5 | Very low | 26.2 | Very low | 125 Ų | 125 | 134.6 Ų | 134.6 | 87% | 0.874 | 72% | 0.717 | S | S | * | * | trans | -80.4 | 67.3 | 166.4 | -56.5 | 0 | 0 | 0 | 0 | 110 | T1636 | T1636-S1638 PolarHBondContact O-N 2.82Å; T1636-S1638 VanDerWaalsContact O-N 3.14Å | ||
| 1639 | T | 25.9 | Very low | 26.3 | Very low | 102 Ų | 102 | 135.6 Ų | 135.6 | 63% | 0.626 | 72% | 0.722 | S | S | * | * | trans | -111.7 | 100.1 | 177.9 | -62.8 | 0 | 0 | 0 | 0 | 110.2 | I1637 | I1637-T1639 WeakPolarHBondContact CG2-OG1 3.46Å; I1637-T1639 PolarHBondContact O-N 3.4Å | ||
| 1640 | V | 22.8 | Very low | 26.3 | Very low | 106 Ų | 106 | 129 Ų | 129 | 64% | 0.642 | 70% | 0.697 | S | S | * | * | trans | 39.4 | 121.4 | 134.2 | -149.9 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1641 | H | 26.3 | Very low | 26.3 | Very low | 166 Ų | 166 | 127.4 Ų | 127.4 | 77% | 0.769 | 68% | 0.681 | S | S | * | * | -154.8 | 169.9 | 72.7 | -85.3 | 78.5 | 0 | 0 | 0 | 115.6 | |||||
| 1642 | S | 23.3 | Very low | 26.3 | Very low | 87 Ų | 87 | 125.6 Ų | 125.6 | 61% | 0.608 | 67% | 0.667 | S | S | * | * | trans | -32.5 | 158 | 160.8 | 43.9 | 0 | 0 | 0 | 0 | 116.1 | ||||
| 1643 | Q | 27.1 | Very low | 26.3 | Very low | 168 Ų | 168 | 120.8 Ų | 120.8 | 79% | 0.785 | 65% | 0.649 | S | S | * | * | cis | -162.4 | 145.2 | 39.1 | -139.5 | 152.3 | -41.7 | 0 | 0 | 114 | ||||
| 1644 | S | 27.7 | Very low | 26.3 | Very low | 88 Ų | 88 | 125.7 Ų | 125.7 | 62% | 0.615 | 67% | 0.665 | S | S | * | * | trans | 33.1 | 119.9 | 139.8 | 72.2 | 0 | 0 | 0 | 0 | 119.9 | ||||
| 1645 | S | 27.2 | Very low | 26.8 | Very low | 86 Ų | 86 | 119.9 Ų | 119.9 | 60% | 0.601 | 66% | 0.656 | S | S | * | * | 114.7 | 153.1 | 74.5 | 59 | 0 | 0 | 0 | 0 | 110.5 | |||||
| 1646 | W | 24.6 | Very low | 26.9 | Very low | 216 Ų | 216 | 118.4 Ų | 118.4 | 82% | 0.818 | 65% | 0.653 | S | S | * | * | cis | -140.4 | 149.8 | 26.7 | -79.6 | 70.6 | 0 | 0 | 0 | 113.1 | ||||
| 1647 | L | 26.1 | Very low | 26.7 | Very low | 121 Ų | 121 | 120.5 Ų | 120.5 | 63% | 0.634 | 66% | 0.657 | S | S | * | * | trans | 46.9 | 122.9 | 138.4 | -64.8 | -161.8 | 0 | 0 | 0 | 121 | ||||
| 1648 | N | 28.3 | Very low | 26.7 | Very low | 128 Ų | 128 | 117.2 Ų | 117.2 | 68% | 0.684 | 66% | 0.658 | S | S | * | * | 81 | 155.2 | 74.4 | -93.8 | 44.7 | 0 | 0 | 0 | 112.7 | |||||
| 1649 | D | 25.5 | Very low | 26.6 | Very low | 133 Ų | 133 | 119.6 Ų | 119.6 | 71% | 0.711 | 66% | 0.655 | S | S | * | * | cis | -143.9 | -178.8 | 25.8 | -94.5 | -50.7 | 0 | 0 | 0 | 110.8 | ||||
| 1650 | S | 25.3 | Very low | 26.7 | Very low | 28 Ų | 28 | 118.1 Ų | 118.1 | 20% | 0.196 | 65% | 0.646 | C | S | . | * | cis | 157.5 | 144.6 | -22 | -176.7 | 0 | 0 | 0 | 0 | 106.3 | F1799 T1800 | S1650-F1799 CarbonylContact O-C 3.59Å; S1650-F1799 VanDerWaalsContact O-C 3.29Å; S1650-T1800 CarbonylContact C-O 3.53Å; S1650-T1800 CarbonylContact O-C 3.58Å; S1650-T1800 PolarHBondContact O-N 3.03Å | ||
| 1651 | Y | 26.1 | Very low | 26.9 | Very low | 108 Ų | 108 | 117.7 Ų | 117.7 | 42% | 0.424 | 65% | 0.648 | S | S | . | * | cis | -150.2 | 131.5 | -5.8 | -110.6 | -169.9 | 0 | 0 | 0 | 111.2 | F1799 T1800 E1801 | Y1651-F1799 HydrophobicContact CD2-CD1 4.4Å; Y1651-F1799 HydrophobicContact CD2-CE1 4.2Å; Y1651-T1800 PolarHBondContact N-O 2.86Å; Y1651-T1800 WeakPolarHBondContact O-CB 3.45Å; Y1651-T1800 PolarHBondContact O-N 3.41Å; Y1651-T1800 PolarHBondContact O-OG1 3.09Å; Y1651-E1801 WeakPolarHBondContact CD1-OE1 3.41Å | ||
| 1652 | K | 26.5 | Very low | 26.9 | Very low | 97 Ų | 97 | 113.5 Ų | 113.5 | 42% | 0.422 | 64% | 0.637 | S | S | . | * | trans | 60.7 | -172.8 | 159.8 | -62.8 | 86.7 | 178.8 | 179.4 | 0 | 117 | ||||
| 1653 | S | 24.6 | Very low | 27.1 | Very low | 85 Ų | 85 | 115.5 Ų | 115.5 | 59% | 0.594 | 65% | 0.646 | S | S | * | * | cis | -159.5 | 161.1 | -9.2 | -119.8 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 1654 | I | 24.4 | Very low | 27.1 | Very low | 140 Ų | 140 | 114.3 Ų | 114.3 | 72% | 0.718 | 64% | 0.644 | S | S | * | * | cis | 96.3 | 129.5 | 13.5 | -60.9 | 167.6 | 0 | 0 | 0 | 115.7 | ||||
| 1655 | P | 44.5 | Very low | 27 | Very low | 112 Ų | 112 | 116.5 Ų | 116.5 | 73% | 0.727 | 64% | 0.644 | S | S | * | * | cis | -139.5 | -164.2 | -21.4 | 43 | -22.3 | 0 | 0 | 0 | 116.1 | ||||
| 1656 | T | 27.4 | Very low | 27 | Very low | 125 Ų | 125 | 119.6 Ų | 119.6 | 77% | 0.767 | 64% | 0.643 | S | S | * | * | trans | -151 | 147.5 | 168.2 | -79.5 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 1657 | I | 24.1 | Very low | 27 | Very low | 171 Ų | 171 | 118.7 Ų | 118.7 | 88% | 0.877 | 64% | 0.641 | S | S | * | * | trans | -149.8 | 140.4 | -179 | -56.5 | 177.9 | 0 | 0 | 0 | 111.5 | ||||
| 1658 | G | 25.7 | Very low | 27.1 | Very low | 70 Ų | 70 | 119.1 Ų | 119.1 | 72% | 0.722 | 64% | 0.644 | S | S | * | * | trans | 141 | 96.2 | 153.6 | 0 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1659 | Q | 24.8 | Very low | 26.9 | Very low | 174 Ų | 174 | 123.1 Ų | 123.1 | 81% | 0.813 | 66% | 0.655 | S | S | * | * | trans | -73.6 | 163.5 | -179 | -57.7 | 163 | -17 | 0 | 0 | 116 | ||||
| 1660 | T | 28.8 | Very low | 26.9 | Very low | 72 Ų | 72 | 128 Ų | 128 | 44% | 0.442 | 66% | 0.663 | S | S | . | * | 164.9 | 124.5 | 113.1 | 36.8 | 0 | 0 | 0 | 0 | 117.2 | T945 | T945-T1660 WeakPolarHBondContact CG2-O 3.06Š| |||
| 1661 | S | 27.1 | Very low | 26.9 | Very low | 96 Ų | 96 | 135 Ų | 135 | 67% | 0.671 | 70% | 0.698 | S | S | * | * | trans | 48.9 | 148.6 | 136.8 | -57.9 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 1662 | S | 25.8 | Very low | 27.1 | Very low | 79 Ų | 79 | 135.4 Ų | 135.4 | 55% | 0.552 | 71% | 0.711 | S | S | * | * | cis | -177.7 | 170.4 | -9.9 | 53.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1663 | T | 28.2 | Very low | 27.3 | Very low | 129 Ų | 129 | 134 Ų | 134 | 79% | 0.791 | 71% | 0.712 | S | S | * | * | trans | 64.4 | 129.3 | 161.5 | 50 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 1664 | L | 26.1 | Very low | 27.4 | Very low | 142 Ų | 142 | 132.6 Ų | 132.6 | 74% | 0.743 | 71% | 0.711 | S | S | * | * | cis | 122.6 | 130.4 | -10.6 | -167 | 71.8 | 0 | 0 | 0 | 115.9 | ||||
| 1665 | H | 26.5 | Very low | 27.4 | Very low | 134 Ų | 134 | 130.7 Ų | 130.7 | 62% | 0.62 | 71% | 0.71 | S | S | * | * | trans | 77.2 | 150.3 | 162.8 | -76.6 | -10.7 | 0 | 0 | 0 | 120.4 | ||||
| 1666 | R | 26.7 | Very low | 26.8 | Very low | 152 Ų | 152 | 132.4 Ų | 132.4 | 57% | 0.574 | 72% | 0.718 | S | S | * | * | cis | -178.4 | 145.2 | -14.6 | 177.3 | -164.1 | -64.1 | -170.4 | -3.5 | 109.4 | ||||
| 1667 | Y | 25.2 | Very low | 26.8 | Very low | 196 Ų | 196 | 130.6 Ų | 130.6 | 77% | 0.769 | 71% | 0.711 | S | S | * | * | 162.9 | 145 | 129.6 | -98.7 | -71.2 | 0 | 0 | 0 | 116.2 | |||||
| 1668 | D | 27.2 | Very low | 27.2 | Very low | 131 Ų | 131 | 129.8 Ų | 129.8 | 70% | 0.701 | 71% | 0.707 | S | S | * | * | trans | -99.8 | 154.7 | -174.7 | -41.2 | -102.5 | 0 | 0 | 0 | 114.9 | ||||
| 1669 | K | 25.1 | Very low | 27.4 | Very low | 212 Ų | 212 | 137 Ų | 137 | 92% | 0.922 | 71% | 0.714 | S | S | * | * | -178.4 | 151.6 | 113.2 | -98.3 | 167.9 | -175.9 | -177.7 | 0 | 113.9 | |||||
| 1670 | R | 24.9 | Very low | 27.7 | Very low | 235 Ų | 235 | 136 Ų | 136 | 89% | 0.887 | 71% | 0.714 | S | S | * | * | trans | -77.4 | 154.2 | 177.7 | -67 | 178.7 | 171.6 | -173.3 | -3.6 | 113.5 | ||||
| 1671 | L | 26.1 | Very low | 27.8 | Very low | 175 Ų | 175 | 143.9 Ų | 143.9 | 92% | 0.916 | 74% | 0.736 | S | S | * | * | trans | -148.9 | 165.6 | 140.7 | -103.5 | 167.1 | 0 | 0 | 0 | 109.1 | ||||
| 1672 | V | 28.4 | Very low | 28.1 | Very low | 117 Ų | 117 | 146.8 Ų | 146.8 | 71% | 0.709 | 74% | 0.743 | S | S | * | * | trans | -109.8 | 134.6 | -159.2 | 178.8 | 0 | 0 | 0 | 0 | 113.3 | ||||
| 1673 | P | 30.9 | Very low | 28.6 | Very low | 66 Ų | 66 | 148.4 Ų | 148.4 | 43% | 0.429 | 75% | 0.752 | S | S | . | * | trans | -79.9 | 156.9 | 176.7 | -12.9 | 28.4 | 0 | 0 | 0 | 115.3 | S1779 | P1673-S1779 WeakPolarHBondContact O-CB 3.23Å; P1673-S1779 PolarHBondContact O-OG 3.43Å | ||
| 1674 | G | 27.7 | Very low | 28.8 | Very low | 56 Ų | 56 | 149.7 Ų | 149.7 | 58% | 0.577 | 75% | 0.754 | S | S | * | * | trans | -155 | 122.1 | 168.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 1675 | S | 24.6 | Very low | 29.1 | Very low | 101 Ų | 101 | 150.2 Ų | 150.2 | 71% | 0.706 | 75% | 0.753 | S | S | * | * | trans | 43.9 | 109.5 | 154 | 59.6 | 0 | 0 | 0 | 0 | 122.1 | ||||
| 1676 | V | 31.3 | Very low | 29.3 | Very low | 147 Ų | 147 | 151.9 Ų | 151.9 | 89% | 0.891 | 76% | 0.761 | S | S | * | * | -138.2 | 154 | 123.6 | 179.9 | 0 | 0 | 0 | 0 | 107.7 | |||||
| 1677 | S | 28 | Very low | 30 | Very low | 88 Ų | 88 | 149.5 Ų | 149.5 | 62% | 0.615 | 77% | 0.767 | S | S | * | * | trans | -78.6 | 165.8 | -177.6 | -167.8 | 0 | 0 | 0 | 0 | 113.8 | ||||
| 1678 | I | 31.8 | Very low | 31.1 | Very low | 154 Ų | 154 | 146.7 Ų | 146.7 | 79% | 0.79 | 76% | 0.761 | S | S | * | * | trans | -124.9 | -9.6 | 179.8 | -70 | 176.7 | 0 | 0 | 0 | 113 | D1680 | I1678-D1680 PolarHBondContact O-N 2.89Š| ||
| 1679 | Y | 30.8 | Very low | 32 | Very low | 221 Ų | 221 | 145.6 Ų | 145.6 | 87% | 0.867 | 75% | 0.752 | S | S | * | * | trans | -75.6 | 37.7 | -171.9 | -72.6 | -74 | 0 | 0 | 0 | 116.1 | ||||
| 1680 | D | 30.1 | Very low | 32.8 | Very low | 154 Ų | 154 | 138.6 Ų | 138.6 | 82% | 0.824 | 73% | 0.734 | S | S | * | * | S | Bend | trans | -133.7 | 25.7 | -175 | -93.1 | -42 | 0 | 0 | 0 | 113.7 | I1678 | I1678-D1680 PolarHBondContact O-N 2.89Š|
| 1681 | R | 31.4 | Very low | 33.7 | Very low | 237 Ų | 237 | 132.5 Ų | 132.5 | 89% | 0.894 | 72% | 0.718 | S | S | * | * | S | Bend | trans | -145 | 126.4 | 166.4 | -68.7 | -164.6 | 176.5 | -151.4 | -6.6 | 112 | ||
| 1682 | D | 34.5 | Very low | 34.6 | Very low | 156 Ų | 156 | 128.9 Ų | 128.9 | 83% | 0.834 | 70% | 0.695 | S | S | * | * | trans | -67.8 | 147.8 | 177.2 | -75 | -62.2 | 0 | 0 | 0 | 113.1 | ||||
| 1683 | P | 34.5 | Very low | 35.5 | Very low | 113 Ų | 113 | 129.9 Ų | 129.9 | 73% | 0.734 | 69% | 0.692 | S | S | * | * | trans | -99.7 | 17.1 | -169.5 | 40.2 | -37.8 | 0 | 0 | 0 | 115.3 | E1685 | P1683-E1685 VanDerWaalsContact C-N 3.26Å; P1683-E1685 PolarHBondContact O-N 2.84Å | ||
| 1684 | D | 33.6 | Very low | 35.9 | Very low | 156 Ų | 156 | 133.2 Ų | 133.2 | 83% | 0.834 | 70% | 0.7 | S | S | * | * | trans | -81.2 | 56.7 | -176.2 | -83.3 | -21.5 | 0 | 0 | 0 | 113.8 | ||||
| 1685 | E | 32.1 | Very low | 36.5 | Very low | 154 Ų | 154 | 135.4 Ų | 135.4 | 72% | 0.72 | 70% | 0.698 | S | S | * | * | S | Bend | trans | -164.7 | 145.2 | 144.6 | -116.6 | -175.2 | -140.3 | 0 | 0 | 115.1 | P1683 | P1683-E1685 VanDerWaalsContact C-N 3.26Å; P1683-E1685 PolarHBondContact O-N 2.84Å |
| 1686 | Q | 30.4 | Very low | 37.4 | Very low | 169 Ų | 169 | 137.8 Ų | 137.8 | 79% | 0.79 | 70% | 0.696 | S | S | * | * | trans | 60.1 | 83.1 | 157.1 | -57 | -175.8 | 45.8 | 0 | 0 | 120.1 | ||||
| 1687 | S | 41 | Very low | 37.9 | Very low | 101 Ų | 101 | 140.8 Ų | 140.8 | 71% | 0.706 | 69% | 0.693 | S | S | * | * | trans | -126.5 | 2.8 | 149.8 | 66.1 | 0 | 0 | 0 | 0 | 114.9 | E1689 A1690 | S1687-E1689 PolarHBondContact O-N 3.27Å; S1687-E1689 VanDerWaalsContact O-N 3.15Å; S1687-A1690 WeakPolarHBondContact O-CB 3.42Å; S1687-A1690 PolarHBondContact O-N 3.47Å; S1687-A1690 VanDerWaalsContact O-N 3.1Å | ||
| 1688 | Q | 47.8 | Very low | 38.3 | Very low | 138 Ų | 138 | 142.5 Ų | 142.5 | 65% | 0.645 | 69% | 0.694 | S | S | * | * | H | α-helix | trans | -59.9 | -29.4 | -177.1 | -159.8 | -178.1 | 45.1 | 0 | 0 | 113.3 | L1691 K1692 | Q1688-L1691 PolarHBondContact O-N 2.98Å; Q1688-K1692 PolarHBondContact O-N 3.25Å; Q1688-K1692 VanDerWaalsContact O-N 3.08Å |
| 1689 | E | 47.7 | Very low | 38.5 | Very low | 107 Ų | 107 | 142.1 Ų | 142.1 | 50% | 0.5 | 69% | 0.693 | S | S | . | * | H | α-helix | trans | -74.4 | -26.5 | -179.8 | -139.2 | 58.5 | -148.1 | 0 | 0 | 113 | S1687 K1692 Q1693 | S1687-E1689 PolarHBondContact O-N 3.27Å; S1687-E1689 VanDerWaalsContact O-N 3.15Å; E1689-K1692 VanDerWaalsContact OE1-CD 3.23Å; E1689-K1692 WeakPolarHBondContact OE1-CD 3.47Å; E1689-K1692 IonicContact OE1-NZ 2.68Å; E1689-K1692 WeakPolarHBondContact OE2-CD 3.3Å; E1689-K1692 IonicContact OE2-NZ 3.22Å; E1689-K1692 PolarHBondContact OE2-NZ 2.93Å; E1689-Q1693 WeakPolarHBondContact O-CG 3.32Å; E1689-Q1693 PolarHBondContact O-N 3.26Å |
| 1690 | A | 42.2 | Very low | 38.4 | Very low | 66 Ų | 66 | 138 Ų | 138 | 55% | 0.545 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -68.3 | -39.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 111.2 | S1687 Q1693 F1694 | S1687-A1690 WeakPolarHBondContact O-CB 3.42Å; S1687-A1690 PolarHBondContact O-N 3.47Å; S1687-A1690 VanDerWaalsContact O-N 3.1Å; A1690-Q1693 PolarHBondContact O-N 3.47Å; A1690-F1694 PolarHBondContact O-N 2.85Å |
| 1691 | L | 42 | Very low | 38.2 | Very low | 106 Ų | 106 | 136.5 Ų | 136.5 | 56% | 0.555 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -66.7 | -40.6 | 175.2 | -174.6 | 62.4 | 0 | 0 | 0 | 111.8 | Q1688 F1694 L1695 | Q1688-L1691 PolarHBondContact O-N 2.98Å; L1691-F1694 PolarHBondContact O-N 3.44Å; L1691-L1695 HydrophobicContact CD1-CD1 4.48Å; L1691-L1695 HydrophobicContact CG-CD1 4.2Å; L1691-L1695 WeakPolarHBondContact O-CG 3.33Å; L1691-L1695 PolarHBondContact O-N 3.18Å |
| 1692 | K | 46.8 | Very low | 38.1 | Very low | 99 Ų | 99 | 131.1 Ų | 131.1 | 43% | 0.43 | 69% | 0.687 | S | S | . | * | H | α-helix | trans | -61.3 | -42.1 | 171.8 | -77.1 | 171.1 | -172.5 | 162.3 | 0 | 112.4 | Q1688 E1689 F1694 L1695 K1696 | Q1688-K1692 PolarHBondContact O-N 3.25Å; Q1688-K1692 VanDerWaalsContact O-N 3.08Å; E1689-K1692 VanDerWaalsContact OE1-CD 3.23Å; E1689-K1692 WeakPolarHBondContact OE1-CD 3.47Å; E1689-K1692 IonicContact OE1-NZ 2.68Å; E1689-K1692 WeakPolarHBondContact OE2-CD 3.3Å; E1689-K1692 IonicContact OE2-NZ 3.22Å; E1689-K1692 PolarHBondContact OE2-NZ 2.93Å; K1692-F1694 VanDerWaalsContact C-N 3.34Å; K1692-L1695 PolarHBondContact O-N 3.34Å; K1692-K1696 VanDerWaalsContact O-CB 3.24Å; K1692-K1696 WeakPolarHBondContact O-CB 3.31Å; K1692-K1696 PolarHBondContact O-N 3.02Å |
| 1693 | Q | 47.1 | Very low | 37.8 | Very low | 139 Ų | 139 | 127.2 Ų | 127.2 | 65% | 0.65 | 68% | 0.683 | S | S | * | * | H | α-helix | trans | -64.8 | -37.8 | 177.2 | -75.4 | -177.8 | 23.2 | 0 | 0 | 112.2 | E1689 A1690 Y1697 | E1689-Q1693 WeakPolarHBondContact O-CG 3.32Å; E1689-Q1693 PolarHBondContact O-N 3.26Å; A1690-Q1693 PolarHBondContact O-N 3.47Å; Q1693-Y1697 PolarHBondContact O-N 3.36Å |
| 1694 | F | 39.4 | Very low | 37.4 | Very low | 135 Ų | 135 | 127.8 Ų | 127.8 | 59% | 0.592 | 69% | 0.685 | S | S | * | * | H | α-helix | trans | -64.1 | -50.1 | 173.7 | -177.3 | -102.3 | 0 | 0 | 0 | 112.1 | A1690 L1691 K1692 K1696 Y1697 L1698 | A1690-F1694 PolarHBondContact O-N 2.85Å; L1691-F1694 PolarHBondContact O-N 3.44Å; K1692-F1694 VanDerWaalsContact C-N 3.34Å; F1694-K1696 PolarHBondContact O-N 3.34Å; F1694-Y1697 WeakPolarHBondContact O-CB 3.45Å; F1694-Y1697 PolarHBondContact O-N 3.19Å; F1694-Y1697 VanDerWaalsContact O-N 3.17Å; F1694-L1698 HydrophobicContact CD1-CD1 4.44Å; F1694-L1698 HydrophobicContact CE1-CD1 3.95Å; F1694-L1698 HydrophobicContact CZ-CD1 4.25Å |
| 1695 | L | 39.6 | Very low | 36.9 | Very low | 103 Ų | 103 | 127 Ų | 127 | 54% | 0.539 | 68% | 0.681 | S | S | . | * | H | α-helix | trans | -64.9 | -38.7 | -180 | -69.7 | 171.9 | 0 | 0 | 0 | 112.4 | L1691 K1692 Y1697 L1698 | L1691-L1695 HydrophobicContact CD1-CD1 4.48Å; L1691-L1695 HydrophobicContact CG-CD1 4.2Å; L1691-L1695 WeakPolarHBondContact O-CG 3.33Å; L1691-L1695 PolarHBondContact O-N 3.18Å; K1692-L1695 PolarHBondContact O-N 3.34Å; L1695-Y1697 PolarHBondContact O-N 2.81Å; L1695-L1698 PolarHBondContact O-N 3.37Å; L1695-L1698 VanDerWaalsContact O-N 3.15Å |
| 1696 | K | 44 | Very low | 36.6 | Very low | 150 Ų | 150 | 125.4 Ų | 125.4 | 65% | 0.652 | 68% | 0.681 | S | S | * | * | H | α-helix | trans | -65.5 | -22.4 | 176.2 | -172.8 | 165.1 | -175.4 | 171.1 | 0 | 113.2 | K1692 F1694 L1698 | K1692-K1696 VanDerWaalsContact O-CB 3.24Å; K1692-K1696 WeakPolarHBondContact O-CB 3.31Å; K1692-K1696 PolarHBondContact O-N 3.02Å; F1694-K1696 PolarHBondContact O-N 3.34Å; K1696-L1698 PolarHBondContact O-N 3.1Å |
| 1697 | Y | 41.4 | Very low | 36.4 | Very low | 211 Ų | 211 | 128.5 Ų | 128.5 | 83% | 0.827 | 69% | 0.686 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.6 | -7.9 | 176.3 | -135.8 | -84.3 | 0 | 0 | 0 | 113.8 | Q1693 F1694 L1695 | Q1693-Y1697 PolarHBondContact O-N 3.36Å; F1694-Y1697 WeakPolarHBondContact O-CB 3.45Å; F1694-Y1697 PolarHBondContact O-N 3.19Å; F1694-Y1697 VanDerWaalsContact O-N 3.17Å; L1695-Y1697 PolarHBondContact O-N 2.81Å |
| 1698 | L | 36.1 | Very low | 36.6 | Very low | 123 Ų | 123 | 128.4 Ų | 128.4 | 64% | 0.644 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -105.2 | -6.6 | -171.4 | -70.4 | 172.2 | 0 | 0 | 0 | 115.7 | F1694 L1695 K1696 | F1694-L1698 HydrophobicContact CD1-CD1 4.44Å; F1694-L1698 HydrophobicContact CE1-CD1 3.95Å; F1694-L1698 HydrophobicContact CZ-CD1 4.25Å; L1695-L1698 PolarHBondContact O-N 3.37Å; L1695-L1698 VanDerWaalsContact O-N 3.15Å; K1696-L1698 PolarHBondContact O-N 3.1Å |
| 1699 | D | 36.4 | Very low | 35.6 | Very low | 146 Ų | 146 | 126.8 Ų | 126.8 | 78% | 0.781 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -123.3 | -28.1 | -170.1 | -149 | 22.7 | 0 | 0 | 0 | 115.2 | S1701 | D1699-S1701 PolarHBondContact O-N 3.46Š|
| 1700 | D | 28 | Very low | 34.4 | Very low | 135 Ų | 135 | 127 Ų | 127 | 72% | 0.722 | 70% | 0.7 | S | S | * | * | trans | -83.9 | 83.1 | -174.2 | -89.6 | -41.6 | 0 | 0 | 0 | 113.7 | ||||
| 1701 | S | 26.5 | Very low | 33.6 | Very low | 123 Ų | 123 | 127.8 Ų | 127.8 | 86% | 0.86 | 71% | 0.706 | S | S | * | * | trans | -114.5 | 59.3 | 176.5 | -74.8 | 0 | 0 | 0 | 0 | 115.2 | D1699 | D1699-S1701 PolarHBondContact O-N 3.46Š| ||
| 1702 | S | 28.5 | Very low | 33.1 | Very low | 124 Ų | 124 | 130.3 Ų | 130.3 | 87% | 0.867 | 72% | 0.719 | S | S | * | * | trans | -166.6 | 168.9 | 158.2 | 68.2 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 1703 | G | 28.7 | Very low | 33.2 | Very low | 73 Ų | 73 | 131.1 Ų | 131.1 | 75% | 0.753 | 74% | 0.735 | S | S | * | * | trans | 104.1 | 136.8 | 163.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 1704 | T | 27 | Very low | 33.1 | Very low | 126 Ų | 126 | 130 Ų | 130 | 77% | 0.773 | 74% | 0.739 | S | S | * | * | trans | -138.3 | 158.5 | -177.9 | 57.2 | 0 | 0 | 0 | 0 | 113 | ||||
| 1705 | N | 22.6 | Very low | 32.5 | Very low | 139 Ų | 139 | 131.9 Ų | 131.9 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 92.9 | 136.8 | 150.4 | -71.1 | -54 | 0 | 0 | 0 | 122.9 | ||||
| 1706 | T | 25.1 | Very low | 31.8 | Very low | 120 Ų | 120 | 133.3 Ų | 133.3 | 74% | 0.736 | 76% | 0.756 | S | S | * | * | trans | 79.1 | 102.2 | 141.8 | 42.3 | 0 | 0 | 0 | 0 | 124.3 | ||||
| 1707 | R | 26.1 | Very low | 30.9 | Very low | 235 Ų | 235 | 129.7 Ų | 129.7 | 89% | 0.887 | 75% | 0.75 | S | S | * | * | 60.2 | 167.2 | 121.4 | -90.1 | -170.9 | 127.2 | -176.8 | -1.5 | 121.1 | |||||
| 1708 | P | 46.9 | Very low | 30.2 | Very low | 98 Ų | 98 | 125.2 Ų | 125.2 | 64% | 0.636 | 74% | 0.74 | S | S | * | * | cis | -136.2 | -164.6 | -31.8 | 38.9 | -19.8 | 0 | 0 | 0 | 114.2 | ||||
| 1709 | S | 25 | Very low | 29.7 | Very low | 104 Ų | 104 | 124.9 Ų | 124.9 | 73% | 0.727 | 74% | 0.735 | S | S | * | * | trans | 84.5 | 126.6 | 166.5 | -54.2 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1710 | S | 22.4 | Very low | 29.4 | Very low | 112 Ų | 112 | 123.3 Ų | 123.3 | 78% | 0.783 | 72% | 0.722 | S | S | * | * | cis | 76.1 | 128.2 | 46 | 80.6 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1711 | A | 25.9 | Very low | 29.3 | Very low | 82 Ų | 82 | 119.4 Ų | 119.4 | 68% | 0.678 | 70% | 0.699 | S | S | * | * | cis | -160.5 | 151.8 | 25.2 | 0 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 1712 | I | 31.6 | Very low | 29.4 | Very low | 160 Ų | 160 | 119 Ų | 119 | 82% | 0.821 | 68% | 0.682 | S | S | * | * | trans | 65.1 | 117.8 | 130.9 | -64.2 | 168.8 | 0 | 0 | 0 | 122.6 | ||||
| 1713 | P | 49.3 | Very low | 29.3 | Very low | 116 Ų | 116 | 115.4 Ų | 115.4 | 75% | 0.753 | 67% | 0.665 | S | S | * | * | trans | -108.3 | 172.8 | 161.4 | 41.7 | -34.2 | 0 | 0 | 0 | 113.6 | ||||
| 1714 | P | 44.5 | Very low | 29.3 | Very low | 115 Ų | 115 | 117.5 Ų | 117.5 | 75% | 0.747 | 66% | 0.659 | S | S | * | * | -165.4 | 175.9 | 124.5 | 43.5 | -23.6 | 0 | 0 | 0 | 120.6 | |||||
| 1715 | Q | 26.2 | Very low | 29.2 | Very low | 174 Ų | 174 | 115.8 Ų | 115.8 | 81% | 0.813 | 64% | 0.642 | S | S | * | * | trans | 81.1 | 145.7 | 152.1 | -57.2 | -148.6 | -4.7 | 0 | 0 | 122.8 | ||||
| 1716 | I | 26.4 | Very low | 29.3 | Very low | 133 Ų | 133 | 115.7 Ų | 115.7 | 68% | 0.682 | 64% | 0.642 | S | S | * | * | cis | -166.9 | 157 | -22.2 | -111.7 | 169.7 | 0 | 0 | 0 | 113.1 | ||||
| 1717 | S | 25.1 | Very low | 29.4 | Very low | 74 Ų | 74 | 118.6 Ų | 118.6 | 52% | 0.517 | 64% | 0.644 | S | S | . | * | trans | 76.4 | 174.3 | 161.4 | 79.7 | 0 | 0 | 0 | 0 | 122 | K995 | K995-S1717 PolarHBondContact NZ-O 3.5Š| ||
| 1718 | N | 25.5 | Very low | 29.5 | Very low | 117 Ų | 117 | 115.6 Ų | 115.6 | 63% | 0.626 | 65% | 0.645 | S | S | * | * | cis | -166 | 159.4 | -42.5 | -100.6 | 31.1 | 0 | 0 | 0 | 113.4 | ||||
| 1719 | H | 26.8 | Very low | 28.9 | Very low | 116 Ų | 116 | 118.1 Ų | 118.1 | 54% | 0.537 | 65% | 0.652 | S | S | . | * | trans | 74.8 | 160.1 | 148.4 | -67.6 | -29.4 | 0 | 0 | 0 | 122.9 | D991 | D991-H1719 VanDerWaalsContact OD2-CA 3.31Å; D991-H1719 WeakPolarHBondContact OD2-CA 3.45Å; D991-H1719 IonicContact OD2-ND1 2.66Å | ||
| 1720 | K | 29.4 | Very low | 29.7 | Very low | 114 Ų | 114 | 118.3 Ų | 118.3 | 50% | 0.496 | 65% | 0.651 | S | S | . | * | cis | -151.6 | 135 | -7.3 | -128.2 | -163.4 | 177 | -156.4 | 0 | 117.9 | R990 D991 | R990-K1720 PolarHBondContact NH2-O 3.18Å; D991-K1720 WeakPolarHBondContact OD1-CA 3.31Å; D991-K1720 PolarHBondContact OD1-N 3.03Å; D991-K1720 VanDerWaalsContact OD1-N 3.07Å; D991-K1720 WeakPolarHBondContact OD2-CA 3.46Å | ||
| 1721 | Q | 26.4 | Very low | 30 | Very low | 53 Ų | 53 | 120 Ų | 120 | 25% | 0.248 | 65% | 0.65 | C | S | . | * | 79.9 | 121.2 | 128.6 | -114.7 | 179 | -11.2 | 0 | 0 | 128.8 | E987 R990 D991 | E987-Q1721 HydrophobicContact CB-CG 4.24Å; E987-Q1721 HydrophobicContact CG-CB 4.4Å; E987-Q1721 HydrophobicContact CG-CG 3.54Å; E987-Q1721 WeakPolarHBondContact OE1-CG 3.33Å; E987-Q1721 PolarHBondContact OE1-NE2 3.33Å; R990-Q1721 VanDerWaalsContact CZ-C 3.41Å; R990-Q1721 PolarHBondContact NH1-O 3.15Å; R990-Q1721 PolarHBondContact NH2-O 2.99Å; D991-Q1721 PolarHBondContact OD1-N 3.43Å | |||
| 1722 | F | 27.8 | Very low | 29.8 | Very low | 113 Ų | 113 | 127.2 Ų | 127.2 | 50% | 0.496 | 66% | 0.659 | S | S | . | * | trans | 78.6 | 150.3 | 158.5 | -60 | -68.7 | 0 | 0 | 0 | 121.5 | I983 E987 R990 | I983-F1722 HydrophobicContact CG2-CD1 3.84Å; I983-F1722 HydrophobicContact CG2-CE1 3.85Å; E987-F1722 HydrophobicContact CG-CD1 4.43Å; E987-F1722 WeakPolarHBondContact OE1-CE1 3.36Å; E987-F1722 WeakPolarHBondContact OE1-CZ 3.25Å; R990-F1722 VanDerWaalsContact CD-O 3.23Å; R990-F1722 WeakPolarHBondContact CD-O 3.48Å; R990-F1722 PolarHBondContact NH1-O 3.38Å | ||
| 1723 | G | 27.7 | Very low | 29.4 | Very low | 50 Ų | 50 | 123.7 Ų | 123.7 | 52% | 0.515 | 65% | 0.654 | S | S | . | * | cis | 166.1 | 158.5 | -10.5 | 0 | 0 | 0 | 0 | 0 | 115.9 | ||||
| 1724 | N | 27.9 | Very low | 28.2 | Very low | 117 Ų | 117 | 125.4 Ų | 125.4 | 63% | 0.626 | 66% | 0.657 | S | S | * | * | trans | 71.5 | 124.5 | 164.9 | -60.6 | 6.1 | 0 | 0 | 0 | 119.3 | ||||
| 1725 | H | 25.7 | Very low | 27.4 | Very low | 89 Ų | 89 | 125.6 Ų | 125.6 | 41% | 0.412 | 66% | 0.661 | S | S | . | * | 92.6 | 135 | 50.3 | -76.2 | -53.7 | 0 | 0 | 0 | 113.4 | |||||
| 1726 | D | 24.3 | Very low | 27.4 | Very low | 138 Ų | 138 | 121.3 Ų | 121.3 | 74% | 0.738 | 66% | 0.664 | S | S | * | * | cis | -164.9 | 171.8 | -18.2 | -139.4 | -45.2 | 0 | 0 | 0 | 112 | ||||
| 1727 | F | 26.3 | Very low | 27.5 | Very low | 180 Ų | 180 | 118.4 Ų | 118.4 | 79% | 0.789 | 67% | 0.666 | S | S | * | * | trans | -81.1 | 149.3 | 173.6 | -101 | -98.4 | 0 | 0 | 0 | 113.2 | ||||
| 1728 | L | 27.8 | Very low | 27.3 | Very low | 172 Ų | 172 | 123.5 Ų | 123.5 | 90% | 0.901 | 69% | 0.687 | S | S | * | * | trans | -134.3 | 133.6 | 159.8 | -75 | 177.7 | 0 | 0 | 0 | 112.7 | ||||
| 1729 | L | 35.6 | Very low | 27.3 | Very low | 152 Ų | 152 | 124 Ų | 124 | 80% | 0.796 | 69% | 0.694 | S | S | * | * | trans | -99.7 | -160.4 | 172.9 | -52.3 | 161 | 0 | 0 | 0 | 108 | ||||
| 1730 | P | 41.6 | Very low | 27 | Very low | 107 Ų | 107 | 126.6 Ų | 126.6 | 70% | 0.695 | 71% | 0.709 | S | S | * | * | cis | -136.4 | -157.7 | -16.4 | 23.6 | 3.8 | 0 | 0 | 0 | 113.4 | ||||
| 1731 | I | 27.6 | Very low | 26.7 | Very low | 149 Ų | 149 | 126 Ų | 126 | 76% | 0.764 | 72% | 0.719 | S | S | * | * | trans | 103 | 84.9 | 150.5 | -51 | 167.8 | 0 | 0 | 0 | 119.5 | ||||
| 1732 | R | 22.5 | Very low | 26.7 | Very low | 232 Ų | 232 | 129 Ų | 129 | 88% | 0.875 | 74% | 0.743 | S | S | * | * | 19.9 | 123.2 | 117.8 | -172.7 | -167.7 | -165 | -174.7 | 6.5 | 120.1 | |||||
| 1733 | A | 23.7 | Very low | 26.4 | Very low | 86 Ų | 86 | 129 Ų | 129 | 71% | 0.711 | 76% | 0.756 | S | S | * | * | 170.3 | 127.1 | 110.2 | 0 | 0 | 0 | 0 | 0 | 116.9 | |||||
| 1734 | N | 23.5 | Very low | 26.3 | Very low | 153 Ų | 153 | 133.7 Ų | 133.7 | 82% | 0.818 | 77% | 0.767 | S | S | * | * | trans | 50.8 | 149.9 | 141.6 | -74.3 | 19.7 | 0 | 0 | 0 | 126.1 | ||||
| 1735 | S | 27.3 | Very low | 26.1 | Very low | 119 Ų | 119 | 135.6 Ų | 135.6 | 83% | 0.832 | 77% | 0.773 | S | S | * | * | trans | 78.8 | 108.7 | 148 | 58.3 | 0 | 0 | 0 | 0 | 122 | ||||
| 1736 | G | 27.3 | Very low | 26.2 | Very low | 84 Ų | 84 | 139.6 Ų | 139.6 | 87% | 0.866 | 79% | 0.789 | S | S | * | * | 107.4 | 131.9 | 119.2 | 0 | 0 | 0 | 0 | 0 | 118.6 | |||||
| 1737 | G | 27.7 | Very low | 26.7 | Very low | 71 Ų | 71 | 143.5 Ų | 143.5 | 73% | 0.732 | 79% | 0.793 | S | S | * | * | trans | 97.7 | 72.8 | 152.4 | 0 | 0 | 0 | 0 | 0 | 118.1 | T1739 | G1737-T1739 PolarHBondContact O-N 2.93Š| ||
| 1738 | L | 21.7 | Very low | 26.6 | Very low | 182 Ų | 182 | 140 Ų | 140 | 95% | 0.953 | 79% | 0.792 | S | S | * | * | trans | -81.3 | 93.2 | 156.8 | -74.7 | 174.4 | 0 | 0 | 0 | 110 | ||||
| 1739 | T | 25.4 | Very low | 26.6 | Very low | 128 Ų | 128 | 137.3 Ų | 137.3 | 79% | 0.785 | 77% | 0.774 | S | S | * | * | trans | -132.6 | 86.1 | 167.3 | 54.2 | 0 | 0 | 0 | 0 | 111.7 | G1737 | G1737-T1739 PolarHBondContact O-N 2.93Š| ||
| 1740 | M | 19.9 | Very low | 26.1 | Very low | 169 Ų | 169 | 132.6 Ų | 132.6 | 83% | 0.833 | 75% | 0.754 | S | S | * | * | trans | 35.2 | 122.7 | 142.3 | -61.6 | -60.4 | -70.6 | 0 | 0 | 120.4 | ||||
| 1741 | S | 22.7 | Very low | 25.4 | Very low | 103 Ų | 103 | 130.3 Ų | 130.3 | 72% | 0.72 | 73% | 0.732 | S | S | * | * | trans | 86 | 153.2 | 143.4 | -62 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 1742 | P | 27.5 | Very low | 25.3 | Very low | 115 Ų | 115 | 129 Ų | 129 | 75% | 0.747 | 73% | 0.725 | S | S | * | * | trans | -122.2 | -162.6 | -137.8 | 42.4 | -30.7 | 0 | 0 | 0 | 115.4 | ||||
| 1743 | C | 21.1 | Very low | 25.5 | Very low | 114 Ų | 114 | 122.8 Ų | 122.8 | 77% | 0.77 | 72% | 0.717 | S | S | * | * | trans | 89.8 | 69.1 | 165.5 | -61.5 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 1744 | I | 25 | Very low | 25.6 | Very low | 147 Ų | 147 | 123.5 Ų | 123.5 | 75% | 0.754 | 72% | 0.717 | S | S | * | * | trans | -135.7 | 123.8 | 154 | -55.5 | 171.7 | 0 | 0 | 0 | 104.4 | ||||
| 1745 | E | 23.8 | Very low | 25.8 | Very low | 157 Ų | 157 | 121 Ų | 121 | 73% | 0.734 | 70% | 0.704 | S | S | * | * | S | Bend | cis | -108.2 | 143.6 | 10.2 | -102.5 | 116.5 | -164.9 | 0 | 0 | 113.5 | ||
| 1746 | K | 27.9 | Very low | 25.6 | Very low | 174 Ų | 174 | 124 Ų | 124 | 76% | 0.757 | 70% | 0.697 | S | S | * | * | 66 | 85.2 | 76.6 | -59.3 | -179.6 | -165.6 | 158.1 | 0 | 113.6 | |||||
| 1747 | R | 34.3 | Very low | 25.4 | Very low | 219 Ų | 219 | 128.6 Ų | 128.6 | 83% | 0.826 | 69% | 0.694 | S | S | * | * | cis | 98.5 | 85.4 | 20.5 | -161.8 | -172.1 | -170.6 | 168.4 | 3.5 | 115.2 | ||||
| 1748 | S | 24.8 | Very low | 25.3 | Very low | 108 Ų | 108 | 130 Ų | 130 | 76% | 0.755 | 69% | 0.688 | S | S | * | * | trans | -120.2 | 110.8 | 159.8 | 46 | 0 | 0 | 0 | 0 | 107.4 | ||||
| 1749 | Q | 26.9 | Very low | 25.6 | Very low | 115 Ų | 115 | 128.1 Ų | 128.1 | 54% | 0.537 | 67% | 0.674 | S | S | . | * | 59.2 | 95.7 | 62.5 | -58.3 | -166.6 | -14.2 | 0 | 0 | 111.7 | |||||
| 1750 | S | 25.7 | Very low | 25.6 | Very low | 53 Ų | 53 | 126.9 Ų | 126.9 | 37% | 0.371 | 67% | 0.67 | S | S | . | * | 74.2 | 107 | 52.7 | 86.2 | 0 | 0 | 0 | 0 | 115.5 | S1329 | S1329-S1750 PolarHBondContact OG-O 2.94Š| |||
| 1751 | R | 26.6 | Very low | 25.8 | Very low | 59 Ų | 59 | 125.4 Ų | 125.4 | 22% | 0.223 | 66% | 0.663 | C | S | . | * | -122.2 | 119.8 | 125.8 | -77.6 | 179.1 | -162.9 | -169.2 | -1.4 | 107.2 | H1325 S1329 T1333 | H1325-R1751 PolarHBondContact CD2-NH2 3.19Å; H1325-R1751 PolarHBondContact NE2-NH2 2.96Å; S1329-R1751 PolarHBondContact O-N 3.3Å; S1329-R1751 WeakPolarHBondContact OG-CG 3.44Å; S1329-R1751 PolarHBondContact OG-N 2.94Å; T1333-R1751 WeakPolarHBondContact CB-O 3.47Å; T1333-R1751 WeakPolarHBondContact CG2-O 3.42Å; T1333-R1751 PolarHBondContact OG1-O 2.89Å | |||
| 1752 | L | 25.5 | Very low | 25.8 | Very low | 120 Ų | 120 | 127.1 Ų | 127.1 | 63% | 0.628 | 66% | 0.664 | S | S | * | * | 59.8 | 141.6 | 57.7 | -49.4 | 161.5 | 0 | 0 | 0 | 109.2 | |||||
| 1753 | S | 26.2 | Very low | 25.7 | Very low | 102 Ų | 102 | 126.4 Ų | 126.4 | 71% | 0.713 | 66% | 0.661 | S | S | * | * | cis | -162.8 | -175.1 | 20.7 | -14.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1754 | S | 27.8 | Very low | 26.7 | Very low | 102 Ų | 102 | 126.3 Ų | 126.3 | 71% | 0.713 | 66% | 0.66 | S | S | * | * | trans | 77.2 | 137.7 | 165.2 | -77.5 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1755 | D | 26.5 | Very low | 26.7 | Very low | 101 Ų | 101 | 127.4 Ų | 127.4 | 54% | 0.54 | 67% | 0.665 | S | S | . | * | cis | -152.4 | 148.4 | -2.6 | -124.5 | -41.2 | 0 | 0 | 0 | 115.6 | ||||
| 1756 | R | 24.1 | Very low | 26.6 | Very low | 181 Ų | 181 | 126.2 Ų | 126.2 | 68% | 0.683 | 67% | 0.674 | S | S | * | * | trans | 34.1 | 129.3 | 147.6 | -85.7 | 173.1 | -86.3 | -174.4 | -2.8 | 123.3 | ||||
| 1757 | F | 22.8 | Very low | 26.4 | Very low | 181 Ų | 181 | 120.9 Ų | 120.9 | 79% | 0.794 | 67% | 0.668 | S | S | * | * | trans | 65.7 | 153.3 | 137.9 | -64.4 | -49.4 | 0 | 0 | 0 | 118.9 | ||||
| 1758 | T | 26.2 | Very low | 26 | Very low | 100 Ų | 100 | 120.3 Ų | 120.3 | 61% | 0.613 | 67% | 0.666 | S | S | * | * | cis | -150.7 | 145.5 | -0.5 | -4.1 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1759 | E | 27.8 | Very low | 26 | Very low | 142 Ų | 142 | 120.1 Ų | 120.1 | 66% | 0.664 | 67% | 0.665 | S | S | * | * | trans | 33.9 | 118.3 | 140.4 | -66.7 | 166.3 | 162.9 | 0 | 0 | 122.5 | ||||
| 1760 | C | 24.5 | Very low | 25.9 | Very low | 103 Ų | 103 | 120.6 Ų | 120.6 | 70% | 0.696 | 68% | 0.681 | S | S | * | * | -165.1 | 111.9 | 108.8 | -101.3 | 0 | 0 | 0 | 0 | 108.9 | |||||
| 1761 | M | 23.4 | Very low | 25.8 | Very low | 137 Ų | 137 | 129.4 Ų | 129.4 | 68% | 0.675 | 71% | 0.708 | S | S | * | * | 61.2 | 94.4 | 87 | -61.4 | -66.1 | 169.9 | 0 | 0 | 111.3 | |||||
| 1762 | D | 24.2 | Very low | 25.7 | Very low | 140 Ų | 140 | 132.3 Ų | 132.3 | 75% | 0.749 | 74% | 0.737 | S | S | * | * | 76.1 | 135.1 | 92.3 | -89.6 | -32.8 | 0 | 0 | 0 | 113 | |||||
| 1763 | S | 25.2 | Very low | 25.6 | Very low | 99 Ų | 99 | 132 Ų | 132 | 69% | 0.692 | 75% | 0.745 | S | S | * | * | cis | -168 | -166.7 | 6.2 | -128.4 | 0 | 0 | 0 | 0 | 107.2 | ||||
| 1764 | P | 40.7 | Very low | 25.6 | Very low | 113 Ų | 113 | 131.5 Ų | 131.5 | 73% | 0.734 | 74% | 0.742 | S | S | * | * | cis | -126 | 160.9 | -31.5 | 37.4 | -23 | 0 | 0 | 0 | 112.7 | ||||
| 1765 | I | 25 | Very low | 25.5 | Very low | 170 Ų | 170 | 134.7 Ų | 134.7 | 87% | 0.872 | 75% | 0.751 | S | S | * | * | trans | -131.4 | 130.3 | 167.1 | -62.6 | -177.4 | 0 | 0 | 0 | 111.4 | ||||
| 1766 | S | 22.9 | Very low | 25.5 | Very low | 131 Ų | 131 | 133.5 Ų | 133.5 | 92% | 0.916 | 76% | 0.762 | S | S | * | * | trans | -137.9 | 95.1 | 164.4 | 165.1 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 1767 | G | 23.6 | Very low | 25.7 | Very low | 62 Ų | 62 | 129.7 Ų | 129.7 | 64% | 0.639 | 76% | 0.759 | S | S | * | * | trans | -163 | 69.4 | -164.5 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1768 | R | 24.5 | Very low | 26.1 | Very low | 207 Ų | 207 | 131.1 Ų | 131.1 | 78% | 0.781 | 77% | 0.765 | S | S | * | * | trans | 45.3 | 135.9 | 149.3 | -145.7 | -173.8 | -167.4 | -158.5 | 7.7 | 120.7 | E795 | E795-R1768 IonicContact OE2-NH2 2.68Š| ||
| 1769 | S | 24.9 | Very low | 26.2 | Very low | 104 Ų | 104 | 129 Ų | 129 | 73% | 0.727 | 75% | 0.754 | S | S | * | * | trans | 83.1 | 130 | 151.2 | 80.5 | 0 | 0 | 0 | 0 | 120.2 | ||||
| 1770 | S | 25.3 | Very low | 26.4 | Very low | 125 Ų | 125 | 130 Ų | 130 | 87% | 0.874 | 76% | 0.759 | S | S | * | * | trans | -166.1 | 76.5 | 147.1 | -80.9 | 0 | 0 | 0 | 0 | 107.9 | ||||
| 1771 | Y | 24.5 | Very low | 26.5 | Very low | 238 Ų | 238 | 131.5 Ų | 131.5 | 93% | 0.933 | 76% | 0.759 | S | S | * | * | trans | -97.2 | 111.1 | 171.4 | -99 | -70.4 | 0 | 0 | 0 | 109.2 | ||||
| 1772 | S | 23.9 | Very low | 26.7 | Very low | 120 Ų | 120 | 130.4 Ų | 130.4 | 84% | 0.839 | 76% | 0.76 | S | S | * | * | trans | -167.9 | 124.2 | 153.5 | 45.5 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 1773 | S | 23.5 | Very low | 27.1 | Very low | 115 Ų | 115 | 131.2 Ų | 131.2 | 80% | 0.804 | 77% | 0.765 | S | S | * | * | 176.7 | 159.2 | 123.8 | -163 | 0 | 0 | 0 | 0 | 112.5 | |||||
| 1774 | S | 25.6 | Very low | 27.9 | Very low | 91 Ų | 91 | 131.5 Ų | 131.5 | 64% | 0.636 | 76% | 0.764 | S | S | * | * | trans | 69.7 | 94.7 | 159.4 | 60.9 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 1775 | N | 26 | Very low | 27.3 | Very low | 168 Ų | 168 | 131.7 Ų | 131.7 | 90% | 0.898 | 76% | 0.763 | S | S | * | * | 58.2 | 132.4 | 110.1 | -53.2 | -9.6 | 0 | 0 | 0 | 121.6 | |||||
| 1776 | G | 26.6 | Very low | 27.5 | Very low | 76 Ų | 76 | 132.5 Ų | 132.5 | 78% | 0.784 | 76% | 0.763 | S | S | * | * | trans | 176.5 | 58.9 | 169.8 | 0 | 0 | 0 | 0 | 0 | 119.1 | ||||
| 1777 | V | 28.2 | Very low | 27.7 | Very low | 102 Ų | 102 | 134.4 Ų | 134.4 | 62% | 0.618 | 76% | 0.757 | S | S | * | * | trans | 17.2 | 130 | 157.4 | -174 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 1778 | K | 31.3 | Very low | 28.1 | Very low | 211 Ų | 211 | 138.8 Ų | 138.8 | 92% | 0.917 | 76% | 0.759 | S | S | * | * | trans | -118.8 | 145.9 | 154.1 | -86.8 | -177.2 | 176.4 | 174.8 | 0 | 111.2 | ||||
| 1779 | S | 29.1 | Very low | 29.3 | Very low | 55 Ų | 55 | 133.3 Ų | 133.3 | 39% | 0.385 | 75% | 0.75 | S | S | . | * | trans | -133.4 | 172.7 | -175.9 | 53.8 | 0 | 0 | 0 | 0 | 112.9 | P1673 | P1673-S1779 WeakPolarHBondContact O-CB 3.23Å; P1673-S1779 PolarHBondContact O-OG 3.43Å | ||
| 1780 | Q | 31.6 | Very low | 29.5 | Very low | 163 Ų | 163 | 132 Ų | 132 | 76% | 0.762 | 73% | 0.732 | S | S | * | * | trans | -77.1 | 155.3 | -165.1 | -58.7 | 159 | -17.6 | 0 | 0 | 114.4 | ||||
| 1781 | L | 27.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 133.2 Ų | 133.2 | 71% | 0.707 | 72% | 0.718 | S | S | * | * | 163.5 | 118.7 | 119.4 | -86.4 | 159.4 | 0 | 0 | 0 | 115.1 | |||||
| 1782 | T | 27.4 | Very low | 29.5 | Very low | 114 Ų | 114 | 126 Ų | 126 | 70% | 0.699 | 69% | 0.694 | S | S | * | * | trans | 35 | 119.3 | 143.9 | 59.2 | 0 | 0 | 0 | 0 | 123.8 | ||||
| 1783 | N | 31.5 | Very low | 29.6 | Very low | 157 Ų | 157 | 125.1 Ų | 125.1 | 84% | 0.84 | 68% | 0.68 | S | S | * | * | 47.5 | 159.7 | 122.8 | -78.5 | 5.2 | 0 | 0 | 0 | 122.8 | |||||
| 1784 | P | 42.4 | Very low | 29.7 | Very low | 104 Ų | 104 | 126.5 Ų | 126.5 | 68% | 0.675 | 67% | 0.672 | S | S | * | * | -136.3 | -158 | -61.2 | 39 | -18.3 | 0 | 0 | 0 | 111.9 | |||||
| 1785 | T | 28.8 | Very low | 29.6 | Very low | 118 Ų | 118 | 128.3 Ų | 128.3 | 72% | 0.724 | 67% | 0.674 | S | S | * | * | trans | 68.8 | 109.5 | 160.8 | 33.7 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 1786 | H | 28.3 | Very low | 29.9 | Very low | 186 Ų | 186 | 128.9 Ų | 128.9 | 86% | 0.861 | 68% | 0.675 | S | S | * | * | trans | -136.3 | 116.8 | 140.5 | -84.2 | -100.9 | 0 | 0 | 0 | 105.4 | ||||
| 1787 | H | 27.6 | Very low | 29.8 | Very low | 171 Ų | 171 | 131.4 Ų | 131.4 | 79% | 0.792 | 67% | 0.67 | S | S | * | * | 98.1 | 95.7 | 68.8 | -98.5 | -61.4 | 0 | 0 | 0 | 114.1 | |||||
| 1788 | F | 32.2 | Very low | 29.6 | Very low | 155 Ų | 155 | 131.1 Ų | 131.1 | 68% | 0.68 | 67% | 0.665 | S | S | * | * | trans | -46.7 | 176.3 | 139 | -72.9 | -82.7 | 0 | 0 | 0 | 112.4 | ||||
| 1789 | P | 48.9 | Very low | 29.4 | Very low | 92 Ų | 92 | 127 Ų | 127 | 60% | 0.597 | 65% | 0.647 | S | S | * | * | cis | -141.1 | -176.8 | 9.5 | 44.5 | -28.8 | 0 | 0 | 0 | 116.3 | ||||
| 1790 | H | 29.3 | Very low | 29.4 | Very low | 76 Ų | 76 | 128.2 Ų | 128.2 | 35% | 0.352 | 65% | 0.653 | S | S | . | * | -139.4 | 177.2 | 125.1 | -82 | -76.7 | 0 | 0 | 0 | 106.7 | T934 E935 E936 T937 S938 | T934-H1790 PolarHBondContact O-CD2 2.91Å; T934-H1790 PolarHBondContact O-NE2 3.4Å; E935-H1790 HydrophobicContact CB-CB 4.12Å; E935-H1790 HydrophobicContact CG-CB 4.05Å; E935-H1790 VanDerWaalsContact CG-ND1 3.33Å; E935-H1790 WeakPolarHBondContact CG-ND1 3.31Å; E935-H1790 IonicContact OE1-ND1 2.63Å; E936-H1790 VanDerWaalsContact N-CB 3.3Å; T937-H1790 CarbonylContact C-O 3.57Å; T937-H1790 VanDerWaalsContact CA-O 3.23Å; T937-H1790 WeakPolarHBondContact CA-O 3.48Å; S938-H1790 PolarHBondContact N-O 3.23Å | |||
| 1791 | R | 25.1 | Very low | 29.2 | Very low | 151 Ų | 151 | 126.3 Ų | 126.3 | 57% | 0.57 | 64% | 0.644 | S | S | * | * | cis | 67.1 | 136.5 | 32.9 | -94.1 | -156.6 | 175.1 | -165.9 | -2.3 | 113.8 | E935 E936 | E935-R1791 HydrophobicContact CG-CB 4.04Å; E935-R1791 WeakPolarHBondContact OE1-CD 3.13Å; E935-R1791 IonicContact OE1-CZ 2.7Å; E935-R1791 IonicContact OE1-NE 3.19Å; E935-R1791 IonicContact OE1-NH1 2.75Å; E935-R1791 PolarHBondContact OE1-NH1 3.06Å; E935-R1791 IonicContact OE2-NH1 2.76Å; E936-R1791 WeakPolarHBondContact CA-O 3.41Å; E936-R1791 PolarHBondContact N-O 2.94Å; E936-R1791 VanDerWaalsContact OE2-C 3.3Å; E936-R1791 VanDerWaalsContact OE2-O 3.07Å | ||
| 1792 | I | 25.4 | Very low | 29.1 | Very low | 85 Ų | 85 | 125.5 Ų | 125.5 | 44% | 0.436 | 64% | 0.641 | S | S | . | * | cis | -176.9 | 153.6 | -8 | -134.2 | -175.3 | 0 | 0 | 0 | 108.5 | E936 | E936-I1792 PolarHBondContact OE2-N 3.23Š| ||
| 1793 | D | 25.4 | Very low | 29.1 | Very low | 103 Ų | 103 | 126.5 Ų | 126.5 | 55% | 0.551 | 64% | 0.64 | S | S | * | * | cis | -166.1 | 157.2 | 30.6 | -141.3 | -1.9 | 0 | 0 | 0 | 116.8 | ||||
| 1794 | K | 24.7 | Very low | 28.6 | Very low | 144 Ų | 144 | 124.7 Ų | 124.7 | 63% | 0.626 | 63% | 0.631 | S | S | * | * | trans | 46.5 | 125.5 | 142.8 | -82.2 | 173.5 | -158.6 | 76.1 | 0 | 126.7 | ||||
| 1795 | N | 24.9 | Very low | 27.9 | Very low | 129 Ų | 129 | 126.7 Ų | 126.7 | 69% | 0.69 | 64% | 0.641 | S | S | * | * | 83.9 | 93.6 | 126.6 | -65.4 | -8.5 | 0 | 0 | 0 | 122.9 | |||||
| 1796 | I | 31.9 | Very low | 27.7 | Very low | 179 Ų | 179 | 127 Ų | 127 | 92% | 0.918 | 64% | 0.638 | S | S | * | * | -134 | 152.5 | 126.7 | -63.3 | -172.2 | 0 | 0 | 0 | 107.7 | |||||
| 1797 | L | 24 | Very low | 27.4 | Very low | 130 Ų | 130 | 126.1 Ų | 126.1 | 68% | 0.681 | 63% | 0.634 | S | S | * | * | trans | -120.2 | 138.5 | -167.3 | -81.4 | 142.4 | 0 | 0 | 0 | 113.8 | ||||
| 1798 | N | 25.5 | Very low | 27.4 | Very low | 95 Ų | 95 | 127.3 Ų | 127.3 | 51% | 0.508 | 64% | 0.637 | S | S | . | * | trans | 48.8 | 146.8 | 143.3 | -56.5 | -17.8 | 0 | 0 | 0 | 121.4 | ||||
| 1799 | F | 26.6 | Very low | 27.1 | Very low | 124 Ų | 124 | 129.2 Ų | 129.2 | 54% | 0.544 | 65% | 0.645 | S | S | . | * | 161.7 | 144.2 | 121.6 | -96.8 | -130.8 | 0 | 0 | 0 | 110.7 | S1650 Y1651 | S1650-F1799 CarbonylContact O-C 3.59Å; S1650-F1799 VanDerWaalsContact O-C 3.29Å; Y1651-F1799 HydrophobicContact CD2-CD1 4.4Å; Y1651-F1799 HydrophobicContact CD2-CE1 4.2Å | |||
| 1800 | T | 28.3 | Very low | 25.9 | Very low | 81 Ų | 81 | 134.7 Ų | 134.7 | 50% | 0.497 | 66% | 0.66 | S | S | . | * | trans | -126.1 | 170.8 | -166.5 | 77.7 | 0 | 0 | 0 | 0 | 118.1 | S1650 Y1651 | S1650-T1800 CarbonylContact C-O 3.53Å; S1650-T1800 CarbonylContact O-C 3.58Å; S1650-T1800 PolarHBondContact O-N 3.03Å; Y1651-T1800 PolarHBondContact N-O 2.86Å; Y1651-T1800 WeakPolarHBondContact O-CB 3.45Å; Y1651-T1800 PolarHBondContact O-N 3.41Å; Y1651-T1800 PolarHBondContact O-OG1 3.09Å | ||
| 1801 | E | 27.6 | Very low | 25.7 | Very low | 123 Ų | 123 | 137.6 Ų | 137.6 | 58% | 0.575 | 68% | 0.678 | S | S | * | * | 178.3 | 148.9 | 128.5 | -105.9 | -175.6 | -170.6 | 0 | 0 | 118 | Y1651 | Y1651-E1801 WeakPolarHBondContact CD1-OE1 3.41Š| |||
| 1802 | N | 26.3 | Very low | 25.7 | Very low | 119 Ų | 119 | 137.2 Ų | 137.2 | 64% | 0.636 | 69% | 0.687 | S | S | * | * | trans | 65.3 | 154.9 | 143.4 | -75.6 | -36 | 0 | 0 | 0 | 122.4 | ||||
| 1803 | I | 26.2 | Very low | 25.7 | Very low | 135 Ų | 135 | 139.1 Ų | 139.1 | 69% | 0.692 | 70% | 0.698 | S | S | * | * | cis | -163.9 | 156.5 | -21.2 | -131.4 | 171.5 | 0 | 0 | 0 | 112.7 | ||||
| 1804 | N | 22.6 | Very low | 25.8 | Very low | 119 Ų | 119 | 140.9 Ų | 140.9 | 64% | 0.636 | 71% | 0.707 | S | S | * | * | trans | 45.4 | 140.2 | 160 | -66.8 | -8.7 | 0 | 0 | 0 | 123.6 | ||||
| 1805 | T | 27.4 | Very low | 25.9 | Very low | 145 Ų | 145 | 138.8 Ų | 138.8 | 89% | 0.89 | 71% | 0.707 | S | S | * | * | -161.5 | 175.4 | 76.7 | 27 | 0 | 0 | 0 | 0 | 116 | |||||
| 1806 | N | 24.1 | Very low | 26.1 | Very low | 126 Ų | 126 | 140.3 Ų | 140.3 | 67% | 0.674 | 72% | 0.715 | S | S | * | * | trans | -101.1 | 152.5 | -148.7 | -75.5 | 1.5 | 0 | 0 | 0 | 119 | ||||
| 1807 | E | 22.6 | Very low | 25.9 | Very low | 166 Ų | 166 | 134.9 Ų | 134.9 | 78% | 0.776 | 70% | 0.703 | S | S | * | * | trans | 51.1 | 130.7 | 136.3 | -65.5 | -177.2 | 144.6 | 0 | 0 | 123.2 | ||||
| 1808 | K | 27.1 | Very low | 25.9 | Very low | 196 Ų | 196 | 140.2 Ų | 140.2 | 85% | 0.852 | 71% | 0.714 | S | S | * | * | -166.2 | 157.8 | 98.2 | -102.9 | 162.7 | -171.8 | 170.8 | 0 | 114.2 | |||||
| 1809 | K | 25.9 | Very low | 25.9 | Very low | 195 Ų | 195 | 142.3 Ų | 142.3 | 85% | 0.848 | 72% | 0.724 | S | S | * | * | trans | -119.5 | 149.9 | 173.3 | -69.1 | 177.5 | 176.4 | 176.3 | 0 | 110.2 | ||||
| 1810 | F | 24 | Very low | 25.7 | Very low | 207 Ų | 207 | 140.9 Ų | 140.9 | 91% | 0.908 | 73% | 0.73 | S | S | * | * | trans | -136.5 | 168 | 150.4 | -95.9 | -80.3 | 0 | 0 | 0 | 110 | ||||
| 1811 | N | 24.3 | Very low | 25.5 | Very low | 137 Ų | 137 | 143.4 Ų | 143.4 | 73% | 0.733 | 74% | 0.74 | S | S | * | * | trans | -157.8 | 175.4 | -155.6 | -168.4 | 14.2 | 0 | 0 | 0 | 110.5 | ||||
| 1812 | L | 26.1 | Very low | 25.5 | Very low | 144 Ų | 144 | 143.5 Ų | 143.5 | 75% | 0.754 | 75% | 0.745 | S | S | * | * | trans | 82.8 | 152.7 | 179.2 | -53.8 | 163.3 | 0 | 0 | 0 | 115.2 | ||||
| 1813 | N | 24.6 | Very low | 25.5 | Very low | 125 Ų | 125 | 144.7 Ų | 144.7 | 67% | 0.668 | 75% | 0.751 | S | S | * | * | cis | -175.2 | 171.4 | -39.8 | -115.8 | 14 | 0 | 0 | 0 | 108.7 | ||||
| 1814 | N | 27.4 | Very low | 25.4 | Very low | 139 Ų | 139 | 142.9 Ų | 142.9 | 74% | 0.743 | 75% | 0.75 | S | S | * | * | trans | 71.7 | 154.4 | 165 | -69.3 | 11.7 | 0 | 0 | 0 | 117.6 | ||||
| 1815 | T | 26.5 | Very low | 25.5 | Very low | 101 Ų | 101 | 145 Ų | 145 | 62% | 0.62 | 76% | 0.756 | S | S | * | * | cis | -179.8 | 146.2 | -48.1 | 28.2 | 0 | 0 | 0 | 0 | 108.1 | ||||
| 1816 | N | 29.2 | Very low | 25.5 | Very low | 161 Ų | 161 | 145 Ų | 145 | 86% | 0.861 | 75% | 0.751 | S | S | * | * | trans | 70.4 | 149.4 | 170.3 | -39.6 | -40 | 0 | 0 | 0 | 115.2 | ||||
| 1817 | G | 28.9 | Very low | 25.5 | Very low | 64 Ų | 64 | 150 Ų | 150 | 66% | 0.66 | 76% | 0.76 | S | S | * | * | cis | 165 | 109 | -11.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 1818 | W | 22.2 | Very low | 25.7 | Very low | 243 Ų | 243 | 147 Ų | 147 | 92% | 0.92 | 76% | 0.758 | S | S | * | * | trans | 63.4 | 146.1 | 144.4 | -84.7 | 49.4 | 0 | 0 | 0 | 121.7 | ||||
| 1819 | L | 25.3 | Very low | 25.6 | Very low | 139 Ų | 139 | 144.7 Ų | 144.7 | 73% | 0.728 | 75% | 0.753 | S | S | * | * | trans | 75.5 | 94.3 | 159.2 | -66.4 | 164.4 | 0 | 0 | 0 | 119.4 | ||||
| 1820 | S | 23.7 | Very low | 25.5 | Very low | 93 Ų | 93 | 141.1 Ų | 141.1 | 65% | 0.65 | 75% | 0.751 | S | S | * | * | 76.1 | 136.1 | 108.6 | -74.6 | 0 | 0 | 0 | 0 | 122.7 | |||||
| 1821 | N | 24.2 | Very low | 25.5 | Very low | 134 Ų | 134 | 136.4 Ų | 136.4 | 72% | 0.717 | 74% | 0.744 | S | S | * | * | trans | 99.6 | 151.4 | 132.6 | -95.1 | 66.7 | 0 | 0 | 0 | 121.3 | ||||
| 1822 | D | 26.7 | Very low | 25.6 | Very low | 126 Ų | 126 | 135.6 Ų | 135.6 | 67% | 0.674 | 75% | 0.749 | S | S | * | * | trans | 75 | 90.3 | 159.9 | -53 | -9.6 | 0 | 0 | 0 | 119.3 | ||||
| 1823 | D | 25.9 | Very low | 25.5 | Very low | 143 Ų | 143 | 136 Ų | 136 | 77% | 0.765 | 75% | 0.752 | S | S | * | * | 55.9 | 102.5 | 116.6 | -66.8 | 0.5 | 0 | 0 | 0 | 121.8 | |||||
| 1824 | S | 25.7 | Very low | 25.6 | Very low | 97 Ų | 97 | 135.1 Ų | 135.1 | 68% | 0.678 | 76% | 0.756 | S | S | * | * | 77.7 | 146.1 | 121.1 | 82.7 | 0 | 0 | 0 | 0 | 120.5 | |||||
| 1825 | H | 24.9 | Very low | 25.5 | Very low | 165 Ų | 165 | 134 Ų | 134 | 76% | 0.764 | 76% | 0.758 | S | S | * | * | trans | 58.5 | 139.9 | 164.4 | -65.8 | -73.4 | 0 | 0 | 0 | 117.2 | ||||
| 1826 | D | 25.4 | Very low | 25.4 | Very low | 145 Ų | 145 | 134.1 Ų | 134.1 | 78% | 0.775 | 76% | 0.764 | S | S | * | * | cis | -157.8 | -167.3 | 10.2 | -125.6 | -4.6 | 0 | 0 | 0 | 111 | ||||
| 1827 | R | 25.9 | Very low | 25.4 | Very low | 229 Ų | 229 | 134.6 Ų | 134.6 | 86% | 0.864 | 77% | 0.766 | S | S | * | * | trans | -77.8 | 153 | -175.5 | -61.2 | 174.7 | 169.5 | 179.3 | -3.9 | 115.1 | ||||
| 1828 | S | 26.5 | Very low | 25.4 | Very low | 105 Ų | 105 | 134.9 Ų | 134.9 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 95.9 | 156.6 | 132.9 | 76.9 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 1829 | I | 25 | Very low | 25.4 | Very low | 147 Ų | 147 | 132.3 Ų | 132.3 | 75% | 0.754 | 77% | 0.77 | S | S | * | * | trans | 83.8 | 127 | 163.5 | -48.8 | 170 | 0 | 0 | 0 | 118.9 | ||||
| 1830 | C | 24.2 | Very low | 25.4 | Very low | 119 Ų | 119 | 133.4 Ų | 133.4 | 80% | 0.804 | 78% | 0.776 | S | S | * | * | trans | 131.5 | 114.7 | 153.8 | -77.4 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 1831 | S | 22.4 | Very low | 25.5 | Very low | 109 Ų | 109 | 133.4 Ų | 133.4 | 76% | 0.762 | 78% | 0.776 | S | S | * | * | cis | 100.5 | 96.2 | 19.3 | -55.4 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1832 | S | 27.8 | Very low | 25.6 | Very low | 119 Ų | 119 | 136.4 Ų | 136.4 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -178.1 | 153.9 | 164.4 | 51.9 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 1833 | N | 23.5 | Very low | 25.6 | Very low | 153 Ų | 153 | 137.1 Ų | 137.1 | 82% | 0.818 | 79% | 0.79 | S | S | * | * | cis | -170.1 | 171.4 | -35.5 | -141.3 | -18.8 | 0 | 0 | 0 | 109.4 | ||||
| 1834 | S | 26.3 | Very low | 25.6 | Very low | 107 Ų | 107 | 138.2 Ų | 138.2 | 75% | 0.748 | 80% | 0.795 | S | S | * | * | trans | 70.8 | 156.2 | 170.1 | 84.3 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 1835 | S | 25.7 | Very low | 26.4 | Very low | 114 Ų | 114 | 138.3 Ų | 138.3 | 80% | 0.797 | 79% | 0.793 | S | S | * | * | cis | -161.7 | 161.8 | -27.6 | 52.1 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1836 | S | 24.6 | Very low | 26.6 | Very low | 105 Ų | 105 | 135.5 Ų | 135.5 | 73% | 0.734 | 79% | 0.792 | S | S | * | * | trans | -74.5 | 138 | -171.8 | 55.1 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 1837 | N | 29.2 | Very low | 27.1 | Very low | 171 Ų | 171 | 134 Ų | 134 | 91% | 0.914 | 79% | 0.788 | S | S | * | * | trans | -169.5 | 151.3 | 136.1 | -91.7 | -30.1 | 0 | 0 | 0 | 108 | ||||
| 1838 | G | 28.2 | Very low | 27.8 | Very low | 69 Ų | 69 | 129.3 Ų | 129.3 | 71% | 0.711 | 78% | 0.776 | S | S | * | * | cis | 161.5 | 62.2 | 3.7 | 0 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1839 | M | 22.3 | Very low | 28.6 | Very low | 190 Ų | 190 | 134.5 Ų | 134.5 | 94% | 0.936 | 78% | 0.779 | S | S | * | * | trans | -58.1 | 133.6 | -174.5 | -81.4 | -78.7 | 170.9 | 0 | 0 | 113 | ||||
| 1840 | N | 26.3 | Very low | 29.1 | Very low | 161 Ų | 161 | 130.7 Ų | 130.7 | 86% | 0.861 | 77% | 0.765 | S | S | * | * | trans | -150 | 146.6 | 142.7 | -151.3 | -5.9 | 0 | 0 | 0 | 111.3 | ||||
| 1841 | S | 24.9 | Very low | 30 | Very low | 93 Ų | 93 | 131.5 Ų | 131.5 | 65% | 0.65 | 76% | 0.757 | S | S | * | * | trans | -114.7 | 147.8 | -170.6 | 54.7 | 0 | 0 | 0 | 0 | 112 | ||||
| 1842 | Q | 27.2 | Very low | 31.2 | Very low | 197 Ų | 197 | 133.6 Ų | 133.6 | 92% | 0.921 | 75% | 0.752 | S | S | * | * | trans | -148.6 | 156.8 | 154.9 | -115.2 | 170.4 | 13.4 | 0 | 0 | 112 | ||||
| 1843 | N | 26.3 | Very low | 31.8 | Very low | 142 Ų | 142 | 133.5 Ų | 133.5 | 76% | 0.759 | 74% | 0.739 | S | S | * | * | trans | -99.6 | -173.5 | -154 | -62.9 | -42.5 | 0 | 0 | 0 | 114.7 | ||||
| 1844 | L | 25.7 | Very low | 32.8 | Very low | 166 Ų | 166 | 131.1 Ų | 131.1 | 87% | 0.869 | 73% | 0.725 | S | S | * | * | trans | 109.4 | 141.9 | 159.8 | -66.5 | 128.6 | 0 | 0 | 0 | 115.5 | ||||
| 1845 | P | 42.4 | Very low | 33.8 | Very low | 99 Ų | 99 | 129.5 Ų | 129.5 | 64% | 0.643 | 71% | 0.714 | S | S | * | * | cis | -140.9 | 154.2 | -41.3 | 37.3 | -20.8 | 0 | 0 | 0 | 116.1 | ||||
| 1846 | S | 28.9 | Very low | 34.6 | Very low | 106 Ų | 106 | 130.2 Ų | 130.2 | 74% | 0.741 | 70% | 0.704 | S | S | * | * | trans | 38.9 | 102.2 | 148.7 | 61.8 | 0 | 0 | 0 | 0 | 120.5 | ||||
| 1847 | T | 35.5 | Very low | 35.4 | Very low | 113 Ų | 113 | 131.2 Ų | 131.2 | 69% | 0.693 | 70% | 0.7 | S | S | * | * | trans | -109.8 | 53.8 | 161.6 | 48 | 0 | 0 | 0 | 0 | 112.5 | R1849 C1850 | T1847-R1849 PolarHBondContact O-N 3.41Å; T1847-C1850 PolarHBondContact O-N 3.27Å | ||
| 1848 | E | 41.8 | Very low | 36.1 | Very low | 130 Ų | 130 | 127.5 Ų | 127.5 | 61% | 0.607 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -51.3 | -20.9 | 177.6 | -167 | -172.4 | 160 | 0 | 0 | 113.7 | C1850 E1851 | E1848-C1850 VanDerWaalsContact C-N 3.27Å; E1848-C1850 PolarHBondContact O-N 3.35Å; E1848-E1851 PolarHBondContact O-N 3.23Å |
| 1849 | R | 41.8 | Very low | 36.8 | Very low | 215 Ų | 215 | 131.6 Ų | 131.6 | 81% | 0.811 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -61.1 | -30 | 176.4 | -164 | 172.8 | -172.4 | 169.2 | 2.6 | 113.5 | T1847 | T1847-R1849 PolarHBondContact O-N 3.41Å |
| 1850 | C | 35.8 | Very low | 37.4 | Very low | 67 Ų | 67 | 129.3 Ų | 129.3 | 45% | 0.453 | 67% | 0.674 | S | S | . | * | H | α-helix | trans | -78.7 | -36.1 | 179.8 | -66.6 | 0 | 0 | 0 | 0 | 112.6 | T1847 E1848 K1852 Q1853 I1854 | T1847-C1850 PolarHBondContact O-N 3.27Å; E1848-C1850 VanDerWaalsContact C-N 3.27Å; E1848-C1850 PolarHBondContact O-N 3.35Å; C1850-K1852 VanDerWaalsContact C-N 3.3Å; C1850-K1852 PolarHBondContact O-N 2.87Å; C1850-Q1853 PolarHBondContact O-N 2.99Å; C1850-I1854 WeakPolarHBondContact O-CG1 3.43Å; C1850-I1854 PolarHBondContact O-N 3.06Å |
| 1851 | E | 42.3 | Very low | 37.8 | Very low | 135 Ų | 135 | 131.2 Ų | 131.2 | 63% | 0.631 | 68% | 0.675 | S | S | * | * | H | α-helix | trans | -66.2 | -32.1 | -177.8 | -69.1 | -179 | 125.9 | 0 | 0 | 112.4 | E1848 I1854 S1855 | E1848-E1851 PolarHBondContact O-N 3.23Å; E1851-I1854 PolarHBondContact O-N 3.16Å; E1851-S1855 WeakPolarHBondContact O-CB 3.47Å; E1851-S1855 PolarHBondContact O-N 3.26Å; E1851-S1855 PolarHBondContact O-OG 3.39Å |
| 1852 | K | 49 | Very low | 38.1 | Very low | 154 Ų | 154 | 130.2 Ų | 130.2 | 67% | 0.67 | 67% | 0.672 | S | S | * | * | H | α-helix | trans | -66 | -43.3 | 172 | -81.3 | -173.9 | 173.8 | 173.9 | 0 | 113.1 | C1850 I1854 S1855 E1856 | C1850-K1852 VanDerWaalsContact C-N 3.3Å; C1850-K1852 PolarHBondContact O-N 2.87Å; K1852-I1854 VanDerWaalsContact C-N 3.34Å; K1852-S1855 PolarHBondContact O-N 3.15Å; K1852-E1856 WeakPolarHBondContact O-CB 3.44Å; K1852-E1856 PolarHBondContact O-N 3.25Å; K1852-E1856 VanDerWaalsContact O-N 3.07Å |
| 1853 | Q | 40 | Very low | 38.3 | Very low | 116 Ų | 116 | 125.8 Ų | 125.8 | 54% | 0.542 | 66% | 0.659 | S | S | . | * | H | α-helix | trans | -69.3 | -32.5 | 177.3 | -63.7 | -167.5 | -85.4 | 0 | 0 | 112.3 | C1850 I1857 | C1850-Q1853 PolarHBondContact O-N 2.99Å; Q1853-I1857 WeakPolarHBondContact O-CD1 3.46Å; Q1853-I1857 VanDerWaalsContact O-CG1 3.3Å; Q1853-I1857 WeakPolarHBondContact O-CG1 3.33Å; Q1853-I1857 PolarHBondContact O-N 2.66Å |
| 1854 | I | 44.5 | Very low | 38.6 | Very low | 104 Ų | 104 | 125.7 Ų | 125.7 | 53% | 0.533 | 66% | 0.663 | S | S | . | * | H | α-helix | trans | -70.3 | -41 | 174 | -67.7 | 169.5 | 0 | 0 | 0 | 110.8 | C1850 E1851 K1852 E1856 I1857 V1858 | C1850-I1854 WeakPolarHBondContact O-CG1 3.43Å; C1850-I1854 PolarHBondContact O-N 3.06Å; E1851-I1854 PolarHBondContact O-N 3.16Å; K1852-I1854 VanDerWaalsContact C-N 3.34Å; I1854-E1856 VanDerWaalsContact C-N 3.33Å; I1854-E1856 PolarHBondContact O-N 3.47Å; I1854-I1857 PolarHBondContact O-N 3.11Å; I1854-V1858 HydrophobicContact CG2-CG2 4.27Å; I1854-V1858 WeakPolarHBondContact O-CG2 3.11Å; I1854-V1858 PolarHBondContact O-N 3.44Å |
| 1855 | S | 47.8 | Very low | 38.8 | Very low | 73 Ų | 73 | 124.3 Ų | 124.3 | 51% | 0.51 | 66% | 0.657 | S | S | . | * | H | α-helix | trans | -58.8 | -44.9 | 175.5 | -59.4 | 0 | 0 | 0 | 0 | 111.9 | E1851 K1852 I1857 V1858 Q1859 | E1851-S1855 WeakPolarHBondContact O-CB 3.47Å; E1851-S1855 PolarHBondContact O-N 3.26Å; E1851-S1855 PolarHBondContact O-OG 3.39Å; K1852-S1855 PolarHBondContact O-N 3.15Å; S1855-I1857 VanDerWaalsContact C-N 3.34Å; S1855-I1857 PolarHBondContact O-N 3.04Å; S1855-V1858 PolarHBondContact O-N 3.24Å; S1855-Q1859 WeakPolarHBondContact O-CB 3.46Å; S1855-Q1859 PolarHBondContact O-N 2.72Å; S1855-Q1859 VanDerWaalsContact O-N 3.09Å |
| 1856 | E | 42 | Very low | 38.2 | Very low | 129 Ų | 129 | 129.1 Ų | 129.1 | 60% | 0.603 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -64 | -35.4 | 178.2 | -168.6 | 167.4 | -143 | 0 | 0 | 112.6 | K1852 I1854 | K1852-E1856 WeakPolarHBondContact O-CB 3.44Å; K1852-E1856 PolarHBondContact O-N 3.25Å; K1852-E1856 VanDerWaalsContact O-N 3.07Å; I1854-E1856 VanDerWaalsContact C-N 3.33Å; I1854-E1856 PolarHBondContact O-N 3.47Å |
| 1857 | I | 40.9 | Very low | 38.2 | Very low | 126 Ų | 126 | 128.7 Ų | 128.7 | 65% | 0.646 | 67% | 0.668 | S | S | * | * | H | α-helix | trans | -75.7 | -38.8 | 176.3 | -69.8 | 168.3 | 0 | 0 | 0 | 112.2 | Q1853 I1854 S1855 Q1859 I1860 | Q1853-I1857 WeakPolarHBondContact O-CD1 3.46Å; Q1853-I1857 VanDerWaalsContact O-CG1 3.3Å; Q1853-I1857 WeakPolarHBondContact O-CG1 3.33Å; Q1853-I1857 PolarHBondContact O-N 2.66Å; I1854-I1857 PolarHBondContact O-N 3.11Å; S1855-I1857 VanDerWaalsContact C-N 3.34Å; S1855-I1857 PolarHBondContact O-N 3.04Å; I1857-Q1859 VanDerWaalsContact C-N 3.32Å; I1857-Q1859 PolarHBondContact O-N 3.15Å; I1857-I1860 PolarHBondContact O-N 3.28Å |
| 1858 | V | 45.5 | Very low | 38 | Very low | 93 Ų | 93 | 130 Ų | 130 | 56% | 0.564 | 67% | 0.671 | S | S | * | * | H | α-helix | trans | -65.3 | -37.9 | 177.6 | 169.8 | 0 | 0 | 0 | 0 | 111.1 | I1854 S1855 I1860 K1861 | I1854-V1858 HydrophobicContact CG2-CG2 4.27Å; I1854-V1858 WeakPolarHBondContact O-CG2 3.11Å; I1854-V1858 PolarHBondContact O-N 3.44Å; S1855-V1858 PolarHBondContact O-N 3.24Å; V1858-I1860 PolarHBondContact O-N 3.09Å; V1858-I1860 VanDerWaalsContact O-N 3.16Å; V1858-K1861 PolarHBondContact O-N 2.68Å; V1858-K1861 VanDerWaalsContact O-N 3.16Å |
| 1859 | Q | 42.4 | Very low | 37.4 | Very low | 154 Ų | 154 | 131.5 Ų | 131.5 | 72% | 0.72 | 68% | 0.681 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -67 | -16.3 | -177.4 | -150.3 | 167.5 | 14.9 | 0 | 0 | 113.9 | S1855 I1857 | S1855-Q1859 WeakPolarHBondContact O-CB 3.46Å; S1855-Q1859 PolarHBondContact O-N 2.72Å; S1855-Q1859 VanDerWaalsContact O-N 3.09Å; I1857-Q1859 VanDerWaalsContact C-N 3.32Å; I1857-Q1859 PolarHBondContact O-N 3.15Å |
| 1860 | I | 35.2 | Very low | 36.8 | Very low | 142 Ų | 142 | 126.3 Ų | 126.3 | 73% | 0.728 | 67% | 0.673 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -92 | -3.7 | 179.1 | -66.5 | 174.9 | 0 | 0 | 0 | 112.6 | I1857 V1858 | I1857-I1860 PolarHBondContact O-N 3.28Å; V1858-I1860 PolarHBondContact O-N 3.09Å; V1858-I1860 VanDerWaalsContact O-N 3.16Å |
| 1861 | K | 33.1 | Very low | 36.5 | Very low | 201 Ų | 201 | 129.6 Ų | 129.6 | 87% | 0.874 | 69% | 0.685 | S | S | * | * | S | Bend | trans | -127.8 | 27 | -179.1 | -144.1 | 178.1 | -177.3 | -179.2 | 0 | 115.3 | V1858 | V1858-K1861 PolarHBondContact O-N 2.68Å; V1858-K1861 VanDerWaalsContact O-N 3.16Å |
| 1862 | A | 32.7 | Very low | 35.8 | Very low | 72 Ų | 72 | 130.6 Ų | 130.6 | 60% | 0.595 | 69% | 0.689 | S | S | * | * | S | Bend | trans | -137.2 | 29.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 114 | ||
| 1863 | T | 31.4 | Very low | 34.6 | Very low | 104 Ų | 104 | 132.1 Ų | 132.1 | 64% | 0.638 | 70% | 0.696 | S | S | * | * | trans | -139.6 | 69.3 | 178.2 | 59.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 1864 | T | 31.4 | Very low | 34.1 | Very low | 140 Ų | 140 | 133 Ų | 133 | 86% | 0.859 | 70% | 0.704 | S | S | * | * | trans | -141.6 | 77.3 | 159.5 | 50.6 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1865 | D | 31.3 | Very low | 33.2 | Very low | 137 Ų | 137 | 135.7 Ų | 135.7 | 73% | 0.733 | 72% | 0.718 | S | S | * | * | trans | -70.9 | 133.5 | -171.4 | -60.3 | -73.2 | 0 | 0 | 0 | 112.9 | S1867 | D1865-S1867 VanDerWaalsContact C-N 3.27Å; D1865-S1867 PolarHBondContact O-N 3.09Å | ||
| 1866 | E | 28.1 | Very low | 32.4 | Very low | 200 Ų | 200 | 139.9 Ų | 139.9 | 94% | 0.935 | 73% | 0.733 | S | S | * | * | trans | -75.3 | 75 | 172.4 | -66.5 | -172.6 | 134.4 | 0 | 0 | 111 | N1868 | E1866-N1868 PolarHBondContact O-N 3.23Š| ||
| 1867 | S | 30.4 | Very low | 31.7 | Very low | 97 Ų | 97 | 138.1 Ų | 138.1 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | trans | -85 | 90.5 | -173 | 66.2 | 0 | 0 | 0 | 0 | 114.1 | D1865 | D1865-S1867 VanDerWaalsContact C-N 3.27Å; D1865-S1867 PolarHBondContact O-N 3.09Å | ||
| 1868 | N | 31.4 | Very low | 30.9 | Very low | 142 Ų | 142 | 139.4 Ų | 139.4 | 76% | 0.759 | 74% | 0.743 | S | S | * | * | trans | 50.6 | 81.3 | 150 | -65.4 | -52.9 | 0 | 0 | 0 | 118.6 | E1866 V1870 | E1866-N1868 PolarHBondContact O-N 3.23Å; N1868-V1870 PolarHBondContact O-N 3.3Å; N1868-V1870 VanDerWaalsContact O-N 3.16Å | ||
| 1869 | I | 27.6 | Very low | 30.1 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 82% | 0.821 | 75% | 0.752 | S | S | * | * | trans | -79.1 | 91.5 | 162.6 | -57.1 | 179 | 0 | 0 | 0 | 109.8 | I1871 | I1869-I1871 HydrophobicContact CG2-CD1 4.45Å; I1869-I1871 HydrophobicContact CG2-CG1 3.91Å | ||
| 1870 | V | 30.8 | Very low | 29.6 | Very low | 107 Ų | 107 | 139.6 Ų | 139.6 | 65% | 0.648 | 76% | 0.757 | S | S | * | * | trans | -92.1 | 100.8 | 174.4 | -179.8 | 0 | 0 | 0 | 0 | 110.1 | N1868 H1872 | N1868-V1870 PolarHBondContact O-N 3.3Å; N1868-V1870 VanDerWaalsContact O-N 3.16Å; V1870-H1872 PolarHBondContact O-N 3.18Å; V1870-H1872 VanDerWaalsContact O-N 3.13Å | ||
| 1871 | I | 27.8 | Very low | 29.2 | Very low | 135 Ų | 135 | 138.9 Ų | 138.9 | 69% | 0.692 | 76% | 0.76 | S | S | * | * | trans | -79.5 | 95.6 | -177 | -53.2 | -179.5 | 0 | 0 | 0 | 110.9 | I1869 K1873 | I1869-I1871 HydrophobicContact CG2-CD1 4.45Å; I1869-I1871 HydrophobicContact CG2-CG1 3.91Å; I1871-K1873 HydrophobicContact CG2-CG 4.3Å; I1871-K1873 PolarHBondContact O-N 3.32Å | ||
| 1872 | H | 27.6 | Very low | 28.9 | Very low | 156 Ų | 156 | 135.7 Ų | 135.7 | 72% | 0.722 | 75% | 0.752 | S | S | * | * | trans | -71.5 | 89.6 | 169.5 | -94.7 | -85 | 0 | 0 | 0 | 111.8 | V1870 N1874 | V1870-H1872 PolarHBondContact O-N 3.18Å; V1870-H1872 VanDerWaalsContact O-N 3.13Å; H1872-N1874 VanDerWaalsContact C-N 3.29Å; H1872-N1874 PolarHBondContact O-N 3.46Å | ||
| 1873 | K | 24.3 | Very low | 28.6 | Very low | 186 Ų | 186 | 139.2 Ų | 139.2 | 81% | 0.809 | 76% | 0.76 | S | S | * | * | trans | -72.6 | 78.6 | 165.4 | -77.6 | -171.8 | 174.9 | -179.2 | 0 | 111.2 | I1871 I1875 | I1871-K1873 HydrophobicContact CG2-CG 4.3Å; I1871-K1873 PolarHBondContact O-N 3.32Å; K1873-I1875 PolarHBondContact O-N 3.36Å | ||
| 1874 | N | 29.4 | Very low | 28.3 | Very low | 135 Ų | 135 | 140.8 Ų | 140.8 | 72% | 0.722 | 76% | 0.764 | S | S | * | * | trans | -84.6 | 104.9 | 163.6 | -84 | 6.8 | 0 | 0 | 0 | 109.6 | H1872 I1876 | H1872-N1874 VanDerWaalsContact C-N 3.29Å; H1872-N1874 PolarHBondContact O-N 3.46Å; N1874-I1876 PolarHBondContact O-N 3.24Å | ||
| 1875 | I | 27 | Very low | 28 | Very low | 160 Ų | 160 | 140.9 Ų | 140.9 | 82% | 0.821 | 77% | 0.765 | S | S | * | * | trans | -69.7 | 117.4 | 169.3 | -61 | 167.9 | 0 | 0 | 0 | 107.6 | K1873 | K1873-I1875 PolarHBondContact O-N 3.36Š| ||
| 1876 | I | 29.2 | Very low | 27.6 | Very low | 161 Ų | 161 | 145.8 Ų | 145.8 | 83% | 0.826 | 77% | 0.773 | S | S | * | * | trans | -103.7 | 113.4 | 164 | -63.1 | -179.4 | 0 | 0 | 0 | 106.5 | N1874 | N1874-I1876 PolarHBondContact O-N 3.24Š| ||
| 1877 | S | 28.2 | Very low | 27.5 | Very low | 93 Ų | 93 | 141.6 Ų | 141.6 | 65% | 0.65 | 77% | 0.766 | S | S | * | * | trans | -72 | 150.7 | -177.7 | 51.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 1878 | D | 24.3 | Very low | 27.8 | Very low | 153 Ų | 153 | 142.8 Ų | 142.8 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | -56 | 145.2 | 176.6 | -51.9 | -91.9 | 0 | 0 | 0 | 113.9 | ||||
| 1879 | T | 27.6 | Very low | 27.4 | Very low | 123 Ų | 123 | 145.1 Ų | 145.1 | 76% | 0.755 | 78% | 0.775 | S | S | * | * | trans | -132.1 | 115.2 | 153.2 | 43.5 | 0 | 0 | 0 | 0 | 109.1 | T1881 | T1879-T1881 PolarHBondContact O-N 3.3Š| ||
| 1880 | P | 33.5 | Very low | 27.6 | Very low | 127 Ų | 127 | 143.7 Ų | 143.7 | 83% | 0.825 | 78% | 0.776 | S | S | * | * | trans | -86.3 | 101.6 | -169.1 | 31.9 | -34.6 | 0 | 0 | 0 | 112.9 | N1882 | P1880-N1882 PolarHBondContact O-N 3.41Š| ||
| 1881 | T | 26.9 | Very low | 27.1 | Very low | 127 Ų | 127 | 144 Ų | 144 | 78% | 0.779 | 78% | 0.782 | S | S | * | * | trans | -78.1 | 90.7 | 176.9 | -31.6 | 0 | 0 | 0 | 0 | 111.5 | T1879 I1883 | T1879-T1881 PolarHBondContact O-N 3.3Å; T1881-I1883 PolarHBondContact O-N 3.02Å | ||
| 1882 | N | 25.4 | Very low | 27.1 | Very low | 134 Ų | 134 | 146.2 Ų | 146.2 | 72% | 0.717 | 79% | 0.794 | S | S | * | * | trans | -51.1 | 110.3 | 175.5 | 178.1 | 2.6 | 0 | 0 | 0 | 113.1 | P1880 | P1880-N1882 PolarHBondContact O-N 3.41Š| ||
| 1883 | I | 26.6 | Very low | 26.8 | Very low | 147 Ų | 147 | 144.3 Ų | 144.3 | 75% | 0.754 | 80% | 0.798 | S | S | * | * | trans | -116 | 113.3 | 171.1 | -63.6 | 178.8 | 0 | 0 | 0 | 109.7 | T1881 T1885 | T1881-I1883 PolarHBondContact O-N 3.02Å; I1883-T1885 PolarHBondContact O-N 3.13Å | ||
| 1884 | N | 25.1 | Very low | 26.8 | Very low | 136 Ų | 136 | 146.7 Ų | 146.7 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -58.7 | 117.9 | -176.2 | -87.3 | -82.3 | 0 | 0 | 0 | 113.5 | R1886 | N1884-R1886 PolarHBondContact O-N 3.05Š| ||
| 1885 | T | 24.9 | Very low | 26.5 | Very low | 143 Ų | 143 | 145.2 Ų | 145.2 | 88% | 0.877 | 80% | 0.802 | S | S | * | * | trans | -68.8 | 109.8 | 163.5 | 53.1 | 0 | 0 | 0 | 0 | 110.1 | I1883 | I1883-T1885 PolarHBondContact O-N 3.13Š| ||
| 1886 | R | 24.1 | Very low | 26.5 | Very low | 239 Ų | 239 | 143.6 Ų | 143.6 | 90% | 0.902 | 81% | 0.806 | S | S | * | * | trans | -132.5 | 72.4 | -177.4 | -154 | -177.5 | -160.1 | -145.8 | 6.5 | 113.9 | N1884 | N1884-R1886 PolarHBondContact O-N 3.05Š| ||
| 1887 | S | 26.1 | Very low | 26.3 | Very low | 113 Ų | 113 | 140.8 Ų | 140.8 | 79% | 0.79 | 80% | 0.8 | S | S | * | * | trans | -143.5 | 146.6 | 163.8 | 45.6 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1888 | P | 37 | Very low | 26.2 | Very low | 122 Ų | 122 | 144.3 Ų | 144.3 | 79% | 0.792 | 81% | 0.811 | S | S | * | * | trans | -95.2 | 150.6 | -155.3 | 35.7 | -36.1 | 0 | 0 | 0 | 115.1 | P1890 | P1888-P1890 WeakPolarHBondContact O-CD 3.47Š| ||
| 1889 | K | 23.1 | Very low | 26.3 | Very low | 191 Ų | 191 | 143.2 Ų | 143.2 | 83% | 0.83 | 81% | 0.813 | S | S | * | * | trans | -77.3 | 124.9 | 169.6 | -65.2 | 174.9 | 178.8 | 176.1 | 0 | 110.9 | ||||
| 1890 | P | 29.9 | Very low | 26 | Very low | 130 Ų | 130 | 148 Ų | 148 | 84% | 0.844 | 82% | 0.82 | S | S | * | * | trans | -81 | 111.1 | 160.8 | -4.4 | 23.3 | 0 | 0 | 0 | 108.9 | P1888 | P1888-P1890 WeakPolarHBondContact O-CD 3.47Š| ||
| 1891 | C | 22.3 | Very low | 25.7 | Very low | 114 Ų | 114 | 149.8 Ų | 149.8 | 77% | 0.77 | 82% | 0.822 | S | S | * | * | trans | -87.1 | 115.6 | 178.5 | -62.4 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 1892 | L | 26.3 | Very low | 25.8 | Very low | 181 Ų | 181 | 153.9 Ų | 153.9 | 95% | 0.948 | 83% | 0.829 | S | S | * | * | trans | -141.1 | 111.7 | 156.1 | -98.5 | 176.8 | 0 | 0 | 0 | 110 | ||||
| 1893 | S | 22.2 | Very low | 25.7 | Very low | 116 Ų | 116 | 155.2 Ų | 155.2 | 81% | 0.811 | 84% | 0.835 | S | S | * | * | trans | -100.1 | 130.7 | -177.8 | 45.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1894 | R | 23.2 | Very low | 25.8 | Very low | 235 Ų | 235 | 155.7 Ų | 155.7 | 89% | 0.887 | 84% | 0.839 | S | S | * | * | trans | -156.8 | 115.3 | 153 | -137.5 | 176.3 | 169.9 | 145 | -2.3 | 113.6 | ||||
| 1895 | S | 24.8 | Very low | 26 | Very low | 104 Ų | 104 | 156.4 Ų | 156.4 | 73% | 0.727 | 84% | 0.843 | S | S | * | * | trans | 35.1 | 103.2 | 150.5 | 60.4 | 0 | 0 | 0 | 0 | 119.2 | ||||
| 1896 | S | 26.3 | Very low | 26.6 | Very low | 127 Ų | 127 | 155.3 Ų | 155.3 | 89% | 0.888 | 84% | 0.838 | S | S | * | * | trans | -127.2 | 137 | 138.1 | 56 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 1897 | S | 25.6 | Very low | 26.9 | Very low | 102 Ų | 102 | 151 Ų | 151 | 71% | 0.713 | 83% | 0.832 | S | S | * | * | trans | -145.2 | 131.8 | -172.3 | 56.7 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 1898 | L | 25.6 | Very low | 27.3 | Very low | 167 Ų | 167 | 156.2 Ų | 156.2 | 87% | 0.874 | 84% | 0.836 | S | S | * | * | trans | 60.3 | 103.2 | 163.8 | -60.5 | 169.3 | 0 | 0 | 0 | 117.2 | ||||
| 1899 | C | 25.1 | Very low | 27.4 | Very low | 129 Ų | 129 | 155.5 Ų | 155.5 | 87% | 0.872 | 83% | 0.829 | S | S | * | * | trans | -167.8 | 71.6 | 131.3 | -97.2 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1900 | Y | 22.1 | Very low | 27.9 | Very low | 225 Ų | 225 | 155.1 Ų | 155.1 | 88% | 0.882 | 83% | 0.83 | S | S | * | * | trans | -143.8 | 104.9 | 166.6 | -102.1 | -86.3 | 0 | 0 | 0 | 108.8 | ||||
| 1901 | N | 26.2 | Very low | 28.2 | Very low | 163 Ų | 163 | 160.7 Ų | 160.7 | 87% | 0.872 | 83% | 0.834 | S | S | * | * | trans | 168 | 91.9 | 150.8 | -91.5 | -8.2 | 0 | 0 | 0 | 110.2 | ||||
| 1902 | K | 29.4 | Very low | 28.9 | Very low | 213 Ų | 213 | 158.8 Ų | 158.8 | 93% | 0.926 | 83% | 0.827 | S | S | * | * | trans | -167 | 63.6 | 151.9 | -113.2 | -178.3 | -177.7 | -170.1 | 0 | 111 | ||||
| 1903 | L | 24.9 | Very low | 29.4 | Very low | 163 Ų | 163 | 156.7 Ų | 156.7 | 85% | 0.853 | 82% | 0.816 | S | S | * | * | trans | -132.5 | 93.8 | 164.4 | -86.8 | 172.4 | 0 | 0 | 0 | 107.4 | ||||
| 1904 | N | 28.8 | Very low | 30 | Very low | 156 Ų | 156 | 159 Ų | 159 | 83% | 0.834 | 82% | 0.819 | S | S | * | * | trans | 163.3 | 104.2 | 155 | -88.1 | -7.8 | 0 | 0 | 0 | 108.8 | ||||
| 1905 | D | 27.7 | Very low | 30.3 | Very low | 152 Ų | 152 | 153 Ų | 153 | 81% | 0.813 | 81% | 0.813 | S | S | * | * | trans | -166.4 | 102 | 152.3 | -98.9 | -32.3 | 0 | 0 | 0 | 107.8 | I1907 | D1905-I1907 PolarHBondContact O-N 3.27Š| ||
| 1906 | P | 37.1 | Very low | 30.4 | Very low | 119 Ų | 119 | 156.9 Ų | 156.9 | 77% | 0.773 | 82% | 0.822 | S | S | * | * | trans | -96.3 | 92.7 | -167.3 | 35 | -33.3 | 0 | 0 | 0 | 113.3 | ||||
| 1907 | I | 32.1 | Very low | 30.4 | Very low | 150 Ų | 150 | 155.7 Ų | 155.7 | 77% | 0.769 | 82% | 0.82 | S | S | * | * | trans | -123.1 | 38.6 | -177.3 | -43.2 | -176 | 0 | 0 | 0 | 112.5 | D1905 | D1905-I1907 PolarHBondContact O-N 3.27Š| ||
| 1908 | Y | 34.7 | Very low | 30.5 | Very low | 221 Ų | 221 | 156 Ų | 156 | 87% | 0.867 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -139.9 | 8.5 | 177.9 | -119.4 | -85.8 | 0 | 0 | 0 | 117.4 | ||
| 1909 | V | 38.4 | Very low | 30.7 | Very low | 107 Ų | 107 | 155.9 Ų | 155.9 | 65% | 0.648 | 82% | 0.822 | S | S | * | * | S | Bend | trans | -92.4 | -35.2 | 178.5 | -178.5 | 0 | 0 | 0 | 0 | 112.7 | R1911 A1912 | V1909-R1911 PolarHBondContact O-N 3.05Å; V1909-A1912 PolarHBondContact O-N 3.11Å |
| 1910 | Q | 34.4 | Very low | 30.7 | Very low | 183 Ų | 183 | 157.4 Ų | 157.4 | 86% | 0.855 | 82% | 0.821 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61.8 | -14.8 | -170.4 | -144.9 | 76.5 | 8.2 | 0 | 0 | 115.7 | ||
| 1911 | R | 35.8 | Very low | 31.1 | Very low | 247 Ų | 247 | 151.2 Ų | 151.2 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -102.6 | 3 | -173.1 | -123.2 | 178.4 | -165.7 | 162 | 7 | 115.5 | V1909 | V1909-R1911 PolarHBondContact O-N 3.05Š|
| 1912 | A | 36 | Very low | 31.1 | Very low | 75 Ų | 75 | 151 Ų | 151 | 62% | 0.62 | 82% | 0.816 | S | S | * | * | S | Bend | trans | -99 | -22 | -176.3 | 0 | 0 | 0 | 0 | 0 | 115 | V1909 | V1909-A1912 PolarHBondContact O-N 3.11Š|
| 1913 | L | 36.5 | Very low | 31 | Very low | 136 Ų | 136 | 146.2 Ų | 146.2 | 71% | 0.712 | 81% | 0.81 | S | S | * | * | S | Bend | trans | -87.7 | -27.1 | -168.3 | -77.6 | 166.4 | 0 | 0 | 0 | 115.3 | S1915 | L1913-S1915 PolarHBondContact O-N 3.41Š|
| 1914 | N | 35 | Very low | 31 | Very low | 166 Ų | 166 | 144.4 Ų | 144.4 | 89% | 0.888 | 81% | 0.809 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.4 | 35.5 | -174.6 | -68.7 | 19.1 | 0 | 0 | 0 | 114.1 | ||
| 1915 | S | 29.9 | Very low | 31.1 | Very low | 107 Ų | 107 | 146.6 Ų | 146.6 | 75% | 0.748 | 81% | 0.814 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -139.8 | 11.7 | 178.3 | -167.8 | 0 | 0 | 0 | 0 | 114.7 | L1913 | L1913-S1915 PolarHBondContact O-N 3.41Š|
| 1916 | M | 26.7 | Very low | 30.9 | Very low | 186 Ų | 186 | 144.6 Ų | 144.6 | 92% | 0.916 | 81% | 0.812 | S | S | * | * | trans | -122.3 | 60.1 | 178.8 | -74.3 | -164.3 | 144.3 | 0 | 0 | 112.7 | ||||
| 1917 | A | 26.5 | Very low | 30.4 | Very low | 102 Ų | 102 | 145 Ų | 145 | 84% | 0.843 | 81% | 0.812 | S | S | * | * | S | Bend | trans | -147.1 | 30.1 | 179 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 1918 | S | 27.5 | Very low | 30.3 | Very low | 108 Ų | 108 | 146.6 Ų | 146.6 | 76% | 0.755 | 82% | 0.817 | S | S | * | * | trans | -163.6 | 112.9 | 158.9 | -170.2 | 0 | 0 | 0 | 0 | 113.1 | ||||
| 1919 | N | 29.3 | Very low | 30 | Very low | 165 Ų | 165 | 142.7 Ų | 142.7 | 88% | 0.882 | 81% | 0.81 | S | S | * | * | trans | 174.1 | 88.8 | 143.5 | -95.9 | -35.5 | 0 | 0 | 0 | 108.8 | ||||
| 1920 | N | 26.4 | Very low | 29.6 | Very low | 161 Ų | 161 | 145.2 Ų | 145.2 | 86% | 0.861 | 82% | 0.818 | S | S | * | * | trans | -131.5 | 84.8 | 176.5 | -168.1 | 8.9 | 0 | 0 | 0 | 109.5 | ||||
| 1921 | A | 29.5 | Very low | 29.4 | Very low | 96 Ų | 96 | 143.1 Ų | 143.1 | 79% | 0.793 | 81% | 0.812 | S | S | * | * | trans | -148.6 | 116.4 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 1922 | N | 26.6 | Very low | 29.1 | Very low | 157 Ų | 157 | 139.1 Ų | 139.1 | 84% | 0.84 | 81% | 0.809 | S | S | * | * | trans | -70.9 | 144.2 | -175.7 | -52.7 | -70.4 | 0 | 0 | 0 | 113 | ||||
| 1923 | S | 28.1 | Very low | 28.8 | Very low | 114 Ų | 114 | 140.7 Ų | 140.7 | 80% | 0.797 | 82% | 0.816 | S | S | * | * | -163.8 | 143.2 | 119.2 | 63.1 | 0 | 0 | 0 | 0 | 111.4 | |||||
| 1924 | C | 23.5 | Very low | 28.4 | Very low | 125 Ų | 125 | 142.6 Ų | 142.6 | 85% | 0.845 | 83% | 0.826 | S | S | * | * | trans | -94.5 | 132.6 | 174.7 | -55.6 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 1925 | Q | 30.7 | Very low | 28.1 | Very low | 201 Ų | 201 | 140 Ų | 140 | 94% | 0.939 | 82% | 0.817 | S | S | * | * | trans | -146 | 104.3 | 156.9 | -109.1 | 176.9 | 17.9 | 0 | 0 | 110.3 | ||||
| 1926 | S | 23.6 | Very low | 28.1 | Very low | 111 Ų | 111 | 142.8 Ų | 142.8 | 78% | 0.776 | 82% | 0.823 | S | S | * | * | trans | -90.9 | 131.7 | 171.2 | -54.3 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 1927 | T | 28.1 | Very low | 28.3 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 77% | 0.773 | 82% | 0.817 | S | S | * | * | trans | -166.4 | 127.1 | 133.7 | 16.7 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 1928 | Q | 28.9 | Very low | 28.2 | Very low | 184 Ų | 184 | 138.2 Ų | 138.2 | 86% | 0.86 | 81% | 0.814 | S | S | * | * | trans | 59.5 | 118.2 | 138.6 | -70.7 | 172.7 | -13.6 | 0 | 0 | 121.7 | ||||
| 1929 | I | 28.4 | Very low | 28.1 | Very low | 140 Ų | 140 | 139.5 Ų | 139.5 | 72% | 0.718 | 81% | 0.812 | S | S | * | * | trans | -71 | 144.5 | 164.7 | -62.9 | 155.9 | 0 | 0 | 0 | 110.4 | N1931 | I1929-N1931 HydrophobicContact CG2-CB 4.33Š| ||
| 1930 | I | 29.9 | Very low | 28 | Very low | 160 Ų | 160 | 137.6 Ų | 137.6 | 82% | 0.821 | 80% | 0.802 | S | S | * | * | trans | -126.3 | 106.2 | 148.2 | -60.5 | -178.8 | 0 | 0 | 0 | 108.2 | ||||
| 1931 | N | 30 | Very low | 28.1 | Very low | 138 Ų | 138 | 137.2 Ų | 137.2 | 74% | 0.738 | 80% | 0.8 | S | S | * | * | trans | -96.2 | 142.4 | 160.5 | -77.5 | -33.9 | 0 | 0 | 0 | 107.5 | I1929 | I1929-N1931 HydrophobicContact CG2-CB 4.33Š| ||
| 1932 | N | 29.3 | Very low | 28.8 | Very low | 163 Ų | 163 | 138 Ų | 138 | 87% | 0.872 | 80% | 0.797 | S | S | * | * | trans | -150.4 | 127.6 | 157.1 | -111.3 | -21.2 | 0 | 0 | 0 | 110.6 | ||||
| 1933 | S | 29.8 | Very low | 28.9 | Very low | 109 Ų | 109 | 137 Ų | 137 | 76% | 0.762 | 80% | 0.797 | S | S | * | * | trans | -99.1 | 143.4 | 176.9 | 50.4 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 1934 | L | 27.9 | Very low | 28.7 | Very low | 175 Ų | 175 | 138.6 Ų | 138.6 | 92% | 0.916 | 80% | 0.797 | S | S | * | * | trans | -132.1 | 122.3 | 165.4 | -101.5 | 165.7 | 0 | 0 | 0 | 110.7 | ||||
| 1935 | T | 30.2 | Very low | 28.8 | Very low | 113 Ų | 113 | 138.4 Ų | 138.4 | 69% | 0.693 | 80% | 0.796 | S | S | * | * | trans | -86.3 | 161.1 | 172.5 | 48.2 | 0 | 0 | 0 | 0 | 110.9 | ||||
| 1936 | N | 29.1 | Very low | 28.7 | Very low | 165 Ų | 165 | 132.7 Ų | 132.7 | 88% | 0.882 | 79% | 0.791 | S | S | * | * | trans | 176 | 153 | 138.7 | -90.1 | -16.4 | 0 | 0 | 0 | 111.3 | ||||
| 1937 | G | 30.4 | Very low | 28.9 | Very low | 77 Ų | 77 | 134.3 Ų | 134.3 | 79% | 0.794 | 80% | 0.797 | S | S | * | * | trans | 123.1 | 86.6 | 167.6 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 1938 | C | 24.3 | Very low | 28.7 | Very low | 115 Ų | 115 | 133.2 Ų | 133.2 | 78% | 0.777 | 80% | 0.801 | S | S | * | * | trans | -83.7 | 155.3 | 170.3 | -56.4 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 1939 | D | 26.7 | Very low | 28.4 | Very low | 134 Ų | 134 | 128.3 Ų | 128.3 | 72% | 0.717 | 80% | 0.799 | S | S | * | * | 159.5 | 134.2 | 110.5 | -87.8 | -24.1 | 0 | 0 | 0 | 114.8 | |||||
| 1940 | N | 26.9 | Very low | 28.4 | Very low | 126 Ų | 126 | 129.9 Ų | 129.9 | 67% | 0.674 | 81% | 0.808 | S | S | * | * | trans | 40.1 | 129.8 | 134.7 | -46.3 | -40.8 | 0 | 0 | 0 | 119.1 | ||||
| 1941 | N | 29 | Very low | 28.1 | Very low | 153 Ų | 153 | 129.2 Ų | 129.2 | 82% | 0.818 | 81% | 0.807 | S | S | * | * | cis | -169.1 | 151.6 | 38.5 | -129.6 | -25.8 | 0 | 0 | 0 | 111.6 | ||||
| 1942 | P | 44.2 | Very low | 27.8 | Very low | 112 Ų | 112 | 129.1 Ų | 129.1 | 73% | 0.727 | 81% | 0.806 | S | S | * | * | trans | -105.4 | 139.5 | 179.7 | 36.7 | -29.5 | 0 | 0 | 0 | 114.6 | ||||
| 1943 | T | 27.3 | Very low | 27.5 | Very low | 137 Ų | 137 | 125.6 Ų | 125.6 | 84% | 0.84 | 79% | 0.794 | S | S | * | * | trans | -149.5 | 147.1 | 165.3 | 42.8 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1944 | N | 25.7 | Very low | 27.2 | Very low | 147 Ų | 147 | 127.9 Ų | 127.9 | 79% | 0.786 | 79% | 0.79 | S | S | * | * | trans | 56 | 96.7 | 157.8 | -69.5 | -2.8 | 0 | 0 | 0 | 122.1 | ||||
| 1945 | S | 24.8 | Very low | 27.1 | Very low | 120 Ų | 120 | 128 Ų | 128 | 84% | 0.839 | 78% | 0.78 | S | S | * | * | -3.5 | 140.6 | 125.6 | 45.9 | 0 | 0 | 0 | 0 | 120.1 | |||||
| 1946 | G | 27.6 | Very low | 26.8 | Very low | 81 Ų | 81 | 129.9 Ų | 129.9 | 84% | 0.835 | 78% | 0.779 | S | S | * | * | trans | -173.1 | 93.7 | 166.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 1947 | T | 28.1 | Very low | 26.6 | Very low | 145 Ų | 145 | 128 Ų | 128 | 89% | 0.89 | 77% | 0.769 | S | S | * | * | trans | -95.7 | 125 | -179.6 | 49.9 | 0 | 0 | 0 | 0 | 113.2 | ||||
| 1948 | A | 24.1 | Very low | 26.4 | Very low | 104 Ų | 104 | 131.1 Ų | 131.1 | 86% | 0.86 | 77% | 0.767 | S | S | * | * | trans | -168.3 | 136.3 | 153.1 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1949 | G | 23.2 | Very low | 26.7 | Very low | 80 Ų | 80 | 131.7 Ų | 131.7 | 83% | 0.825 | 77% | 0.769 | S | S | * | * | 77.1 | 94 | 123.2 | 0 | 0 | 0 | 0 | 0 | 121.1 | |||||
| 1950 | L | 27.6 | Very low | 26.6 | Very low | 173 Ų | 173 | 131.2 Ų | 131.2 | 91% | 0.906 | 77% | 0.771 | S | S | * | * | trans | -66.6 | 141.6 | 156 | -72.6 | 159.8 | 0 | 0 | 0 | 111.6 | ||||
| 1951 | N | 23.6 | Very low | 26.5 | Very low | 147 Ų | 147 | 133.8 Ų | 133.8 | 79% | 0.786 | 77% | 0.773 | S | S | * | * | trans | -160.6 | 100.5 | 156.7 | -111.3 | -43.2 | 0 | 0 | 0 | 116.7 | ||||
| 1952 | N | 24.2 | Very low | 26.5 | Very low | 135 Ų | 135 | 134.3 Ų | 134.3 | 72% | 0.722 | 77% | 0.774 | S | S | * | * | 55.8 | 99.5 | 129.5 | -75.4 | -53.3 | 0 | 0 | 0 | 124.4 | |||||
| 1953 | S | 22.4 | Very low | 25.6 | Very low | 89 Ų | 89 | 135.5 Ų | 135.5 | 62% | 0.622 | 77% | 0.77 | S | S | * | * | 98.4 | 154.5 | 99.2 | 82.4 | 0 | 0 | 0 | 0 | 123.5 | |||||
| 1954 | K | 24.8 | Very low | 25.7 | Very low | 158 Ų | 158 | 137.4 Ų | 137.4 | 69% | 0.687 | 77% | 0.769 | S | S | * | * | trans | 92.7 | 102.3 | 146.2 | -72.3 | 170.8 | -179 | 173.2 | 0 | 123.3 | ||||
| 1955 | Y | 25.2 | Very low | 25.8 | Very low | 178 Ų | 178 | 137.2 Ų | 137.2 | 70% | 0.698 | 77% | 0.773 | S | S | * | * | 122.1 | 137.2 | 94.7 | -89.1 | -27.7 | 0 | 0 | 0 | 123 | |||||
| 1956 | F | 24.3 | Very low | 26 | Very low | 152 Ų | 152 | 135 Ų | 135 | 67% | 0.667 | 77% | 0.769 | S | S | * | * | trans | 79.9 | 93.9 | 141.4 | -77.1 | -59.3 | 0 | 0 | 0 | 125.9 | ||||
| 1957 | N | 24.3 | Very low | 25.9 | Very low | 126 Ų | 126 | 140 Ų | 140 | 67% | 0.674 | 77% | 0.768 | S | S | * | * | 48.3 | 137.2 | 118.9 | -57.3 | 15.1 | 0 | 0 | 0 | 126.5 | |||||
| 1958 | N | 25.6 | Very low | 25.7 | Very low | 141 Ų | 141 | 137.1 Ų | 137.1 | 75% | 0.754 | 75% | 0.753 | S | S | * | * | trans | 53.9 | 128.6 | 140.9 | -63.2 | 12.2 | 0 | 0 | 0 | 121.2 | ||||
| 1959 | P | 31.2 | Very low | 25.8 | Very low | 128 Ų | 128 | 141.2 Ų | 141.2 | 83% | 0.831 | 75% | 0.748 | S | S | * | * | -145 | -152.9 | 91.2 | 42.5 | -28.3 | 0 | 0 | 0 | 114.1 | |||||
| 1960 | T | 24.9 | Very low | 25.8 | Very low | 123 Ų | 123 | 144.9 Ų | 144.9 | 76% | 0.755 | 74% | 0.744 | S | S | * | * | -157.8 | 144.2 | -87 | -71.3 | 0 | 0 | 0 | 0 | 112 | |||||
| 1961 | Y | 23.7 | Very low | 25.6 | Very low | 181 Ų | 181 | 141.6 Ų | 141.6 | 71% | 0.71 | 74% | 0.735 | S | S | * | * | trans | -5.7 | 145.3 | 160.6 | -128 | -100.2 | 0 | 0 | 0 | 122.4 | Q1963 | Y1961-Q1963 HydrophobicContact CE1-CG 3.96Š| ||
| 1962 | I | 29.5 | Very low | 25.6 | Very low | 163 Ų | 163 | 141.1 Ų | 141.1 | 84% | 0.836 | 73% | 0.733 | S | S | * | * | trans | -170.5 | 155.1 | 139.6 | -101 | 154.5 | 0 | 0 | 0 | 111.2 | ||||
| 1963 | Q | 25.8 | Very low | 25.6 | Very low | 137 Ų | 137 | 141.2 Ų | 141.2 | 64% | 0.64 | 74% | 0.738 | S | S | * | * | trans | -114.8 | 177.6 | -178.5 | -60.4 | 167.2 | -57.9 | 0 | 0 | 111.8 | Y1961 | Y1961-Q1963 HydrophobicContact CE1-CG 3.96Š| ||
| 1964 | H | 28.5 | Very low | 25.6 | Very low | 178 Ų | 178 | 141.9 Ų | 141.9 | 82% | 0.824 | 74% | 0.743 | S | S | * | * | trans | 171.8 | -177.6 | 133 | -86.7 | -53.3 | 0 | 0 | 0 | 113.4 | ||||
| 1965 | T | 29.7 | Very low | 25.5 | Very low | 143 Ų | 143 | 138.7 Ų | 138.7 | 88% | 0.877 | 74% | 0.741 | S | S | * | * | trans | -134.3 | 164.5 | -154.1 | 51.3 | 0 | 0 | 0 | 0 | 115.3 | ||||
| 1966 | G | 28.2 | Very low | 25.6 | Very low | 73 Ų | 73 | 139.1 Ų | 139.1 | 75% | 0.753 | 75% | 0.746 | S | S | * | * | trans | -173.5 | 166.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1967 | K | 25.7 | Very low | 25.5 | Very low | 187 Ų | 187 | 135.5 Ų | 135.5 | 81% | 0.813 | 74% | 0.74 | S | S | * | * | trans | -142.9 | 166.3 | -170.5 | -61.5 | -179 | 177.3 | 178.8 | 0 | 115.3 | ||||
| 1968 | S | 22.5 | Very low | 25.5 | Very low | 83 Ų | 83 | 136.6 Ų | 136.6 | 58% | 0.58 | 74% | 0.741 | S | S | * | * | trans | 96.8 | 149.9 | 133.4 | 72.4 | 0 | 0 | 0 | 0 | 124.5 | ||||
| 1969 | Y | 27 | Very low | 25.4 | Very low | 190 Ų | 190 | 136.3 Ų | 136.3 | 75% | 0.745 | 74% | 0.739 | S | S | * | * | trans | 81.2 | 99.6 | 159.2 | -68 | -69.1 | 0 | 0 | 0 | 124.6 | ||||
| 1970 | E | 23.1 | Very low | 25.4 | Very low | 158 Ų | 158 | 138 Ų | 138 | 74% | 0.738 | 74% | 0.741 | S | S | * | * | 26.8 | 135.7 | 119.8 | -55.3 | 175.7 | 159.5 | 0 | 0 | 122.5 | |||||
| 1971 | S | 23.6 | Very low | 25.2 | Very low | 103 Ų | 103 | 141 Ų | 141 | 72% | 0.72 | 75% | 0.746 | S | S | * | * | 164.2 | 142.7 | 91.8 | 52 | 0 | 0 | 0 | 0 | 117.3 | |||||
| 1972 | N | 23.2 | Very low | 25.5 | Very low | 138 Ų | 138 | 142.1 Ų | 142.1 | 74% | 0.738 | 76% | 0.755 | S | S | * | * | trans | 69.3 | 125.1 | 142.1 | -70.4 | -14 | 0 | 0 | 0 | 125.9 | ||||
| 1973 | T | 24 | Very low | 25.4 | Very low | 136 Ų | 136 | 140 Ų | 140 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | trans | 70.4 | 156.9 | 135.7 | 58.8 | 0 | 0 | 0 | 0 | 119.6 | ||||
| 1974 | S | 22.7 | Very low | 25.1 | Very low | 103 Ų | 103 | 141.9 Ų | 141.9 | 72% | 0.72 | 77% | 0.766 | S | S | * | * | cis | 178.3 | 153.5 | -14.6 | 163 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 1975 | S | 23.1 | Very low | 25.2 | Very low | 92 Ų | 92 | 139.3 Ų | 139.3 | 64% | 0.643 | 77% | 0.765 | S | S | * | * | cis | -176.7 | -168.8 | -27.2 | 59.9 | 0 | 0 | 0 | 0 | 107.5 | ||||
| 1976 | K | 26.3 | Very low | 24.9 | Very low | 186 Ų | 186 | 137.9 Ų | 137.9 | 81% | 0.809 | 76% | 0.761 | S | S | * | * | trans | 68.9 | 163.2 | 169 | -71.4 | -174 | 177.6 | -168.6 | 0 | 118.4 | ||||
| 1977 | S | 22.7 | Very low | 24.6 | Very low | 77 Ų | 77 | 139.5 Ų | 139.5 | 54% | 0.538 | 76% | 0.76 | S | S | . | * | cis | -171.7 | 174.4 | -37 | 56.6 | 0 | 0 | 0 | 0 | 109.6 | ||||
| 1978 | E | 24.4 | Very low | 24.8 | Very low | 149 Ų | 149 | 139.6 Ų | 139.6 | 70% | 0.696 | 76% | 0.761 | S | S | * | * | trans | 74.9 | 108 | 152.8 | -73.8 | 153.5 | -125.1 | 0 | 0 | 121.3 | ||||
| 1979 | N | 24 | Very low | 24.8 | Very low | 135 Ų | 135 | 142.9 Ų | 142.9 | 72% | 0.722 | 77% | 0.772 | S | S | * | * | 60.6 | 125.4 | 118.5 | -57.2 | -11 | 0 | 0 | 0 | 120.9 | |||||
| 1980 | N | 30.3 | Very low | 24.8 | Very low | 162 Ų | 162 | 139.3 Ų | 139.3 | 87% | 0.866 | 78% | 0.775 | S | S | * | * | -156.6 | 107.8 | 117.8 | -106 | -73.6 | 0 | 0 | 0 | 110.9 | |||||
| 1981 | Q | 22.2 | Very low | 25.1 | Very low | 186 Ų | 186 | 139 Ų | 139 | 87% | 0.869 | 78% | 0.778 | S | S | * | * | trans | -72.6 | 148.6 | 167.2 | -67.9 | 170.3 | -28.4 | 0 | 0 | 110.2 | ||||
| 1982 | K | 29.9 | Very low | 25.2 | Very low | 206 Ų | 206 | 144.3 Ų | 144.3 | 90% | 0.896 | 78% | 0.784 | S | S | * | * | trans | -135.4 | 144.4 | 157.3 | -80.6 | -169.5 | 175.6 | 176.7 | 0 | 110.2 | ||||
| 1983 | S | 26.2 | Very low | 25.4 | Very low | 119 Ų | 119 | 144.7 Ų | 144.7 | 83% | 0.832 | 79% | 0.786 | S | S | * | * | trans | -104.4 | 161.7 | -155.6 | 48.3 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 1984 | M | 20.6 | Very low | 25.5 | Very low | 175 Ų | 175 | 145 Ų | 145 | 86% | 0.862 | 78% | 0.781 | S | S | * | * | trans | -59.2 | 144.9 | 174.2 | -70.5 | -73.2 | -173.3 | 0 | 0 | 113.9 | ||||
| 1985 | P | 30.4 | Very low | 25.8 | Very low | 124 Ų | 124 | 144.7 Ų | 144.7 | 81% | 0.805 | 77% | 0.771 | S | S | * | * | trans | -92.6 | 135.8 | 147.6 | 34.4 | -27 | 0 | 0 | 0 | 110.5 | ||||
| 1986 | S | 22.4 | Very low | 25.9 | Very low | 114 Ų | 114 | 145 Ų | 145 | 80% | 0.797 | 77% | 0.773 | S | S | * | * | trans | -118.1 | 168.3 | -176 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 1987 | S | 22.5 | Very low | 25.9 | Very low | 106 Ų | 106 | 144.9 Ų | 144.9 | 74% | 0.741 | 78% | 0.778 | S | S | * | * | trans | 77.7 | 126.1 | 173.7 | -144.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 1988 | K | 29.1 | Very low | 26.1 | Very low | 190 Ų | 190 | 144.9 Ų | 144.9 | 83% | 0.826 | 78% | 0.783 | S | S | * | * | -153.9 | 160.4 | 51 | -79.6 | 175.4 | 177.3 | 175.1 | 0 | 114.1 | |||||
| 1989 | N | 23.6 | Very low | 26.3 | Very low | 152 Ų | 152 | 143.7 Ų | 143.7 | 81% | 0.813 | 79% | 0.786 | S | S | * | * | trans | -80.3 | 149.6 | 175.2 | -61.6 | -5.4 | 0 | 0 | 0 | 113.2 | ||||
| 1990 | S | 27.8 | Very low | 26.5 | Very low | 114 Ų | 114 | 144.8 Ų | 144.8 | 80% | 0.797 | 79% | 0.792 | S | S | * | * | trans | -144.5 | 113.8 | 151.4 | 56.4 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 1991 | N | 27.5 | Very low | 26.2 | Very low | 152 Ų | 152 | 143.2 Ų | 143.2 | 81% | 0.813 | 79% | 0.791 | S | S | * | * | trans | -75 | 151.1 | -173.3 | -78.4 | 1 | 0 | 0 | 0 | 113.1 | ||||
| 1992 | Y | 26.5 | Very low | 26.6 | Very low | 214 Ų | 214 | 141.2 Ų | 141.2 | 84% | 0.839 | 79% | 0.792 | S | S | * | * | trans | -62.5 | 154.6 | 166.4 | -73 | -99 | 0 | 0 | 0 | 111.9 | I1994 | Y1992-I1994 HydrophobicContact CD1-CD1 4.42Š| ||
| 1993 | N | 27.7 | Very low | 26.4 | Very low | 146 Ų | 146 | 140.4 Ų | 140.4 | 78% | 0.781 | 79% | 0.792 | S | S | * | * | trans | -134.6 | 101 | 161.2 | -174.8 | 13.7 | 0 | 0 | 0 | 108.9 | ||||
| 1994 | I | 25.8 | Very low | 26.4 | Very low | 142 Ų | 142 | 140 Ų | 140 | 73% | 0.728 | 79% | 0.789 | S | S | * | * | trans | -125.7 | 111.9 | 171.2 | -62.1 | 174.7 | 0 | 0 | 0 | 105.4 | Y1992 | Y1992-I1994 HydrophobicContact CD1-CD1 4.42Š| ||
| 1995 | N | 28.6 | Very low | 27 | Very low | 98 Ų | 98 | 138.8 Ų | 138.8 | 52% | 0.524 | 79% | 0.785 | S | S | . | * | trans | -156.9 | 97.6 | 178.5 | -114.8 | -6.8 | 0 | 0 | 0 | 109.9 | ||||
| 1996 | S | 25.8 | Very low | 26.8 | Very low | 97 Ų | 97 | 138.9 Ų | 138.9 | 68% | 0.678 | 79% | 0.785 | S | S | * | * | trans | 168.2 | 146.7 | 132.9 | 64.1 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 1997 | M | 26.3 | Very low | 26.8 | Very low | 185 Ų | 185 | 140.6 Ų | 140.6 | 91% | 0.911 | 78% | 0.784 | S | S | * | * | trans | 91.9 | 55.2 | 165.7 | -57.3 | -160.8 | 157 | 0 | 0 | 117.6 | ||||
| 1998 | A | 25.9 | Very low | 26.9 | Very low | 77 Ų | 77 | 145.6 Ų | 145.6 | 64% | 0.636 | 79% | 0.793 | S | S | * | * | trans | -113.4 | 92.5 | 150.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 1999 | T | 30.4 | Very low | 26.6 | Very low | 124 Ų | 124 | 142.6 Ų | 142.6 | 76% | 0.761 | 79% | 0.785 | S | S | * | * | trans | -153.7 | 111 | 160.1 | 51.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 2000 | N | 28.3 | Very low | 26.7 | Very low | 158 Ų | 158 | 142.3 Ų | 142.3 | 85% | 0.845 | 78% | 0.779 | S | S | * | * | trans | 155.2 | 68.6 | 141.6 | -79.8 | -10 | 0 | 0 | 0 | 111.9 | ||||
| 2001 | C | 23.9 | Very low | 26.6 | Very low | 128 Ų | 128 | 145.7 Ų | 145.7 | 87% | 0.865 | 78% | 0.782 | S | S | * | * | trans | -131.3 | 100.1 | 168.4 | -63.8 | 0 | 0 | 0 | 0 | 109.8 | ||||
| 2002 | T | 29.3 | Very low | 26.5 | Very low | 145 Ų | 145 | 147.9 Ų | 147.9 | 89% | 0.89 | 78% | 0.784 | S | S | * | * | trans | -142.7 | 95.7 | 165.8 | 50.7 | 0 | 0 | 0 | 0 | 108.6 | ||||
| 2003 | E | 26.4 | Very low | 26.4 | Very low | 188 Ų | 188 | 144.5 Ų | 144.5 | 88% | 0.879 | 79% | 0.786 | S | S | * | * | trans | -87 | 138.9 | 172.6 | -61 | 178.2 | 113.6 | 0 | 0 | 110.4 | ||||
| 2004 | S | 25.1 | Very low | 26.3 | Very low | 111 Ų | 111 | 142.5 Ų | 142.5 | 78% | 0.776 | 78% | 0.783 | S | S | * | * | trans | 178.7 | 84.7 | 140.7 | -81.2 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2005 | I | 34.8 | Very low | 26.4 | Very low | 150 Ų | 150 | 141.9 Ų | 141.9 | 77% | 0.769 | 78% | 0.782 | S | S | * | * | trans | 34.8 | 121.4 | 133.8 | -53.9 | 157.1 | 0 | 0 | 0 | 117.4 | I2007 | I2005-I2007 HydrophobicContact CG2-CG1 4.24Š| ||
| 2006 | P | 24.9 | Very low | 26.3 | Very low | 125 Ų | 125 | 146.9 Ų | 146.9 | 81% | 0.812 | 80% | 0.804 | S | S | * | * | -126.2 | 132.7 | 118.1 | 34.9 | -30.2 | 0 | 0 | 0 | 112.7 | |||||
| 2007 | I | 23.6 | Very low | 26.4 | Very low | 151 Ų | 151 | 145.7 Ų | 145.7 | 77% | 0.774 | 80% | 0.796 | S | S | * | * | trans | -83.1 | 122.5 | 163.7 | -63.5 | 170.1 | 0 | 0 | 0 | 107.3 | I2005 | I2005-I2007 HydrophobicContact CG2-CG1 4.24Š| ||
| 2008 | F | 23.2 | Very low | 26.6 | Very low | 211 Ų | 211 | 145.4 Ų | 145.4 | 93% | 0.925 | 79% | 0.789 | S | S | * | * | trans | -144.6 | 142.5 | 156.3 | -119.9 | -83.5 | 0 | 0 | 0 | 109.4 | ||||
| 2009 | D | 23.6 | Very low | 26.8 | Very low | 126 Ų | 126 | 147.4 Ų | 147.4 | 67% | 0.674 | 80% | 0.799 | S | S | * | * | trans | -102.7 | 167.3 | -159.2 | -154.2 | -18.6 | 0 | 0 | 0 | 113.1 | ||||
| 2010 | H | 25.2 | Very low | 26.8 | Very low | 147 Ų | 147 | 145 Ų | 145 | 68% | 0.681 | 79% | 0.791 | S | S | * | * | trans | 69.2 | 116.1 | 164.7 | -62.7 | 5.3 | 0 | 0 | 0 | 117.6 | ||||
| 2011 | H | 27 | Very low | 27.1 | Very low | 185 Ų | 185 | 143.5 Ų | 143.5 | 86% | 0.856 | 78% | 0.783 | S | S | * | * | -162.6 | 91.9 | 116.2 | -101.5 | -64.2 | 0 | 0 | 0 | 113.3 | |||||
| 2012 | K | 24.2 | Very low | 27.6 | Very low | 197 Ų | 197 | 144.4 Ų | 144.4 | 86% | 0.857 | 78% | 0.778 | S | S | * | * | trans | 26.7 | 108.5 | 154.1 | -64.8 | -179.8 | 178.8 | 176.4 | 0 | 119.3 | ||||
| 2013 | T | 25.3 | Very low | 27.7 | Very low | 144 Ų | 144 | 146.9 Ų | 146.9 | 88% | 0.883 | 77% | 0.771 | S | S | * | * | trans | -58.7 | 146.5 | 145.8 | 51.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 2014 | S | 25.4 | Very low | 28.2 | Very low | 103 Ų | 103 | 143.6 Ų | 143.6 | 72% | 0.72 | 76% | 0.756 | S | S | * | * | trans | -147.7 | 149.1 | 160.9 | 70.8 | 0 | 0 | 0 | 0 | 113 | ||||
| 2015 | N | 28.3 | Very low | 28.8 | Very low | 130 Ų | 130 | 145.5 Ų | 145.5 | 70% | 0.695 | 75% | 0.752 | S | S | * | * | trans | 60.1 | 79.4 | 166.7 | -66.1 | -43.5 | 0 | 0 | 0 | 119.2 | S2017 | N2015-S2017 PolarHBondContact OD1-OG 3.42Š| ||
| 2016 | M | 26.6 | Very low | 28.7 | Very low | 203 Ų | 203 | 146.2 Ų | 146.2 | 100% | 1 | 75% | 0.75 | S | S | * | * | -106.1 | 100.7 | 124.3 | -85.8 | -150.6 | 72.5 | 0 | 0 | 109.4 | |||||
| 2017 | S | 27.5 | Very low | 28.9 | Very low | 72 Ų | 72 | 147.2 Ų | 147.2 | 50% | 0.503 | 74% | 0.742 | S | S | . | * | trans | -142.7 | 95.4 | -171.9 | 45.5 | 0 | 0 | 0 | 0 | 111 | N2015 | N2015-S2017 PolarHBondContact OD1-OG 3.42Š| ||
| 2018 | K | 30.3 | Very low | 29.2 | Very low | 178 Ų | 178 | 144 Ų | 144 | 77% | 0.774 | 73% | 0.733 | S | S | * | * | S | Bend | trans | 172.8 | 81.3 | 157.9 | -97.1 | 152.9 | -172.3 | 173.8 | 0 | 112.5 | ||
| 2019 | S | 30.1 | Very low | 29.7 | Very low | 120 Ų | 120 | 139 Ų | 139 | 84% | 0.839 | 72% | 0.724 | S | S | * | * | S | Bend | trans | -160.7 | -25.2 | 160.7 | 56.3 | 0 | 0 | 0 | 0 | 113.8 | ||
| 2020 | A | 29.9 | Very low | 29.6 | Very low | 72 Ų | 72 | 140.6 Ų | 140.6 | 60% | 0.595 | 73% | 0.73 | S | S | * | * | S | Bend | trans | -80.5 | -14.5 | 179.9 | 0 | 0 | 0 | 0 | 0 | 115.6 | L2022 R2023 | A2020-L2022 PolarHBondContact O-N 3.35Å; A2020-R2023 PolarHBondContact O-N 3.04Å |
| 2021 | L | 34.9 | Very low | 29.7 | Very low | 128 Ų | 128 | 141.6 Ų | 141.6 | 67% | 0.67 | 74% | 0.738 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.6 | 12.7 | -172.6 | -152.2 | 91.8 | 0 | 0 | 0 | 115.2 | ||
| 2022 | L | 34.3 | Very low | 29.7 | Very low | 147 Ų | 147 | 135.6 Ų | 135.6 | 77% | 0.77 | 73% | 0.727 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -111.3 | 4.8 | 171.3 | -89.5 | 167.9 | 0 | 0 | 0 | 113.4 | A2020 | A2020-L2022 PolarHBondContact O-N 3.35Š|
| 2023 | R | 32.1 | Very low | 29.9 | Very low | 196 Ų | 196 | 135.8 Ų | 135.8 | 74% | 0.74 | 73% | 0.731 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -110.7 | -29.9 | 171 | -121.9 | 177.2 | -175.1 | -122.9 | -1 | 114.4 | A2020 F2026 F2027 | A2020-R2023 PolarHBondContact O-N 3.04Å; R2023-F2026 PolarHBondContact O-N 3.05Å; R2023-F2026 VanDerWaalsContact O-N 3.17Å; R2023-F2027 PolarHBondContact O-N 3.14Å |
| 2024 | E | 35.4 | Very low | 30.2 | Very low | 120 Ų | 120 | 134 Ų | 134 | 56% | 0.561 | 73% | 0.73 | S | S | * | * | H | α-helix | trans | -67.2 | -36.6 | 170.6 | -72.1 | 179.6 | 132.4 | 0 | 0 | 111.8 | F2026 F2027 S2028 | E2024-F2026 PolarHBondContact O-N 3.16Å; E2024-F2027 PolarHBondContact O-N 3.23Å; E2024-S2028 WeakPolarHBondContact O-CB 3.4Å; E2024-S2028 PolarHBondContact O-N 3.45Å; E2024-S2028 PolarHBondContact O-OG 3.15Å |
| 2025 | Q | 39.5 | Very low | 30.4 | Very low | 150 Ų | 150 | 135.6 Ų | 135.6 | 70% | 0.701 | 73% | 0.731 | S | S | * | * | H | α-helix | trans | -59.4 | -11.4 | 171.2 | -86.3 | -163.1 | -26 | 0 | 0 | 114.7 | ||
| 2026 | F | 31.6 | Very low | 30.4 | Very low | 166 Ų | 166 | 139.4 Ų | 139.4 | 73% | 0.728 | 74% | 0.736 | S | S | * | * | H | α-helix | trans | -100.8 | -19.6 | 173.7 | -144.9 | -88.6 | 0 | 0 | 0 | 114.1 | R2023 E2024 | R2023-F2026 PolarHBondContact O-N 3.05Å; R2023-F2026 VanDerWaalsContact O-N 3.17Å; E2024-F2026 PolarHBondContact O-N 3.16Å |
| 2027 | F | 29.3 | Very low | 30.5 | Very low | 145 Ų | 145 | 136.4 Ų | 136.4 | 64% | 0.636 | 72% | 0.724 | S | S | * | * | H | α-helix | trans | -110.1 | -28 | -178.3 | -81.5 | -79.2 | 0 | 0 | 0 | 114.3 | R2023 E2024 S2029 M2030 | R2023-F2027 PolarHBondContact O-N 3.14Å; E2024-F2027 PolarHBondContact O-N 3.23Å; F2027-S2029 PolarHBondContact O-N 3.23Å; F2027-S2029 VanDerWaalsContact O-N 3.11Å; F2027-M2030 PolarHBondContact O-N 3.3Å |
| 2028 | S | 29.9 | Very low | 30.4 | Very low | 84 Ų | 84 | 140.2 Ų | 140.2 | 59% | 0.587 | 73% | 0.733 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -65.9 | -8.7 | 169.2 | -55.8 | 0 | 0 | 0 | 0 | 113.2 | E2024 M2030 | E2024-S2028 WeakPolarHBondContact O-CB 3.4Å; E2024-S2028 PolarHBondContact O-N 3.45Å; E2024-S2028 PolarHBondContact O-OG 3.15Å; S2028-M2030 PolarHBondContact O-N 3.18Å |
| 2029 | S | 32.9 | Very low | 30.2 | Very low | 106 Ų | 106 | 139 Ų | 139 | 74% | 0.741 | 73% | 0.73 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78 | -3 | 169.5 | -170.6 | 0 | 0 | 0 | 0 | 113.6 | F2027 | F2027-S2029 PolarHBondContact O-N 3.23Å; F2027-S2029 VanDerWaalsContact O-N 3.11Å |
| 2030 | M | 23.1 | Very low | 29.9 | Very low | 160 Ų | 160 | 138.3 Ų | 138.3 | 79% | 0.788 | 72% | 0.721 | S | S | * | * | S | Bend | trans | -147.1 | 42 | -176.2 | -146.3 | -167.2 | -52.2 | 0 | 0 | 115.4 | F2027 S2028 | F2027-M2030 PolarHBondContact O-N 3.3Å; S2028-M2030 PolarHBondContact O-N 3.18Å |
| 2031 | I | 27.2 | Very low | 29.7 | Very low | 167 Ų | 167 | 142 Ų | 142 | 86% | 0.856 | 73% | 0.726 | S | S | * | * | S | Bend | trans | 172.7 | 123.2 | 137.8 | -89.1 | 151.9 | 0 | 0 | 0 | 108.1 | ||
| 2032 | G | 27.3 | Very low | 29.3 | Very low | 60 Ų | 60 | 142.9 Ų | 142.9 | 62% | 0.619 | 73% | 0.727 | S | S | * | * | trans | 122 | 123.6 | -175.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 2033 | E | 27.8 | Very low | 29 | Very low | 201 Ų | 201 | 142.8 Ų | 142.8 | 94% | 0.939 | 72% | 0.722 | S | S | * | * | cis | -140.3 | 149.8 | -7.2 | -66.9 | 179.6 | 112.2 | 0 | 0 | 109.3 | ||||
| 2034 | A | 30.8 | Very low | 28.8 | Very low | 106 Ų | 106 | 141.3 Ų | 141.3 | 88% | 0.876 | 72% | 0.724 | S | S | * | * | trans | -157.5 | 69.3 | 177.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 2035 | D | 29.7 | Very low | 28.4 | Very low | 136 Ų | 136 | 140.4 Ų | 140.4 | 73% | 0.727 | 73% | 0.731 | S | S | * | * | trans | -136.2 | 132.4 | 155.5 | -145.3 | -10.4 | 0 | 0 | 0 | 110 | ||||
| 2036 | R | 28.7 | Very low | 28.1 | Very low | 211 Ų | 211 | 141 Ų | 141 | 80% | 0.796 | 74% | 0.738 | S | S | * | * | trans | 18.5 | 133.7 | 159.5 | -65.8 | 158.3 | -164.2 | -128.5 | -7.8 | 117.9 | ||||
| 2037 | N | 27.6 | Very low | 27.8 | Very low | 140 Ų | 140 | 141.3 Ų | 141.3 | 75% | 0.749 | 74% | 0.742 | S | S | * | * | cis | -179.6 | 177.7 | 38.7 | -134.1 | -14.5 | 0 | 0 | 0 | 113 | ||||
| 2038 | Q | 26.3 | Very low | 28 | Very low | 152 Ų | 152 | 139.7 Ų | 139.7 | 71% | 0.71 | 75% | 0.748 | S | S | * | * | trans | 80.7 | 128.8 | 154.5 | -78.9 | -163 | 59.5 | 0 | 0 | 122.6 | ||||
| 2039 | Q | 25.1 | Very low | 27.8 | Very low | 152 Ų | 152 | 141.3 Ų | 141.3 | 71% | 0.71 | 76% | 0.76 | S | S | * | * | trans | 93.9 | 123.8 | 141.7 | -75.7 | -172.4 | 57.1 | 0 | 0 | 123.4 | ||||
| 2040 | T | 25.5 | Very low | 27.7 | Very low | 105 Ų | 105 | 140.9 Ų | 140.9 | 64% | 0.644 | 76% | 0.757 | S | S | * | * | trans | 76.6 | 100.6 | 145.7 | 46.6 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 2041 | Q | 25.9 | Very low | 28.1 | Very low | 150 Ų | 150 | 140.2 Ų | 140.2 | 70% | 0.701 | 76% | 0.756 | S | S | * | * | 95.9 | 120.9 | 126.1 | -66.6 | 179.1 | 43.4 | 0 | 0 | 120.7 | |||||
| 2042 | Q | 24.9 | Very low | 28.1 | Very low | 146 Ų | 146 | 137.7 Ų | 137.7 | 68% | 0.682 | 75% | 0.754 | S | S | * | * | trans | 69 | 126.7 | 142 | -66.1 | 170.4 | 25 | 0 | 0 | 117.4 | ||||
| 2043 | H | 28.1 | Very low | 28.8 | Very low | 145 Ų | 145 | 140.3 Ų | 140.3 | 67% | 0.671 | 76% | 0.759 | S | S | * | * | cis | -150.7 | 152.4 | 13.1 | -100.6 | -68.9 | 0 | 0 | 0 | 113.6 | ||||
| 2044 | Q | 28 | Very low | 28.8 | Very low | 165 Ų | 165 | 142.6 Ų | 142.6 | 77% | 0.771 | 76% | 0.76 | S | S | * | * | trans | 70.9 | 91 | 144.1 | -70.9 | 171.3 | -9.3 | 0 | 0 | 122.6 | ||||
| 2045 | S | 26.9 | Very low | 28.6 | Very low | 102 Ų | 102 | 147.6 Ų | 147.6 | 71% | 0.713 | 76% | 0.762 | S | S | * | * | 61.4 | 114 | 119.4 | 62.5 | 0 | 0 | 0 | 0 | 123.2 | |||||
| 2046 | L | 32.9 | Very low | 29.3 | Very low | 161 Ų | 161 | 147.1 Ų | 147.1 | 84% | 0.843 | 77% | 0.766 | S | S | * | * | -169.3 | 173.9 | 103.5 | -97.7 | 155.4 | 0 | 0 | 0 | 111.3 | |||||
| 2047 | E | 26.9 | Very low | 29.3 | Very low | 174 Ų | 174 | 146.5 Ų | 146.5 | 81% | 0.813 | 77% | 0.769 | S | S | * | * | trans | -118.9 | 177.8 | -147.3 | -59.8 | 169.3 | 116.6 | 0 | 0 | 117.2 | ||||
| 2048 | S | 32.6 | Very low | 29.4 | Very low | 111 Ų | 111 | 145.2 Ų | 145.2 | 78% | 0.776 | 77% | 0.766 | S | S | * | * | trans | 75.3 | 109.7 | 167.6 | 68.9 | 0 | 0 | 0 | 0 | 117.7 | ||||
| 2049 | S | 26.7 | Very low | 29.5 | Very low | 118 Ų | 118 | 146 Ų | 146 | 83% | 0.825 | 77% | 0.774 | S | S | * | * | 84.1 | 136 | 70.2 | 73.7 | 0 | 0 | 0 | 0 | 114.5 | |||||
| 2050 | S | 30 | Very low | 29.8 | Very low | 97 Ų | 97 | 145 Ų | 145 | 68% | 0.678 | 77% | 0.772 | S | S | * | * | cis | -156.2 | 171.2 | 10.1 | 68.5 | 0 | 0 | 0 | 0 | 115.4 | ||||
| 2051 | D | 30.7 | Very low | 30.2 | Very low | 145 Ų | 145 | 148.7 Ų | 148.7 | 78% | 0.775 | 78% | 0.783 | S | S | * | * | trans | 64 | 93.2 | 150.8 | -50.1 | -38.2 | 0 | 0 | 0 | 125.3 | ||||
| 2052 | S | 27.5 | Very low | 30.4 | Very low | 115 Ų | 115 | 152.1 Ų | 152.1 | 80% | 0.804 | 79% | 0.791 | S | S | * | * | 13.2 | 162.4 | 115.2 | -124.7 | 0 | 0 | 0 | 0 | 122.5 | |||||
| 2053 | P | 42.1 | Very low | 30.7 | Very low | 114 Ų | 114 | 155 Ų | 155 | 74% | 0.74 | 80% | 0.796 | S | S | * | * | cis | -133.3 | 163.9 | -12.8 | 27.1 | -4.8 | 0 | 0 | 0 | 116.6 | ||||
| 2054 | R | 27.5 | Very low | 30.6 | Very low | 250 Ų | 250 | 154 Ų | 154 | 94% | 0.943 | 80% | 0.795 | S | S | * | * | trans | -137.1 | 150 | 153.7 | -94.1 | -174.9 | 171.8 | -175.7 | -2.4 | 109.6 | ||||
| 2055 | K | 26.9 | Very low | 30.8 | Very low | 211 Ų | 211 | 157.9 Ų | 157.9 | 92% | 0.917 | 82% | 0.82 | S | S | * | * | trans | -142.8 | 134.2 | 169.6 | -89.1 | -172.6 | 175 | 178.1 | 0 | 111.9 | ||||
| 2056 | P | 44.4 | Very low | 31 | Very low | 125 Ų | 125 | 160.7 Ų | 160.7 | 81% | 0.812 | 83% | 0.825 | S | S | * | * | trans | -100 | 172 | 173.2 | 39.1 | -34.3 | 0 | 0 | 0 | 112.6 | ||||
| 2057 | K | 29 | Very low | 30.9 | Very low | 198 Ų | 198 | 160.6 Ų | 160.6 | 86% | 0.861 | 82% | 0.824 | S | S | * | * | trans | -147.3 | 127 | 159.8 | -98.1 | -165.2 | 173.7 | -174.6 | 0 | 112.9 | ||||
| 2058 | V | 29.4 | Very low | 31.1 | Very low | 113 Ų | 113 | 159.9 Ų | 159.9 | 69% | 0.685 | 82% | 0.824 | S | S | * | * | trans | 48.1 | 107.9 | 145.3 | -168.5 | 0 | 0 | 0 | 0 | 118.5 | L2060 | V2058-L2060 HydrophobicContact CG1-CB 4.36Å; V2058-L2060 HydrophobicContact CG1-CD1 4.08Å; V2058-L2060 HydrophobicContact CG1-CG 4.15Å | ||
| 2059 | L | 28.8 | Very low | 31 | Very low | 169 Ų | 169 | 162.8 Ų | 162.8 | 89% | 0.885 | 83% | 0.827 | S | S | * | * | trans | -98.7 | 136.3 | 143.8 | -102.9 | 166.4 | 0 | 0 | 0 | 108.3 | ||||
| 2060 | L | 30.9 | Very low | 31.3 | Very low | 130 Ų | 130 | 165.6 Ų | 165.6 | 68% | 0.681 | 83% | 0.827 | S | S | * | * | trans | -130.2 | 108 | 172.2 | -107.5 | 165.9 | 0 | 0 | 0 | 106.9 | V2058 Y2062 | V2058-L2060 HydrophobicContact CG1-CB 4.36Å; V2058-L2060 HydrophobicContact CG1-CD1 4.08Å; V2058-L2060 HydrophobicContact CG1-CG 4.15Å; L2060-Y2062 HydrophobicContact CD2-CD2 4.22Å; L2060-Y2062 HydrophobicContact CD2-CE2 4.15Å | ||
| 2061 | Q | 34.1 | Very low | 31.4 | Very low | 184 Ų | 184 | 170.1 Ų | 170.1 | 86% | 0.86 | 84% | 0.837 | S | S | * | * | trans | -112 | 109.9 | 165.6 | -94.2 | -179.1 | -34.6 | 0 | 0 | 108 | ||||
| 2062 | Y | 30.9 | Very low | 31.4 | Very low | 222 Ų | 222 | 171.9 Ų | 171.9 | 87% | 0.871 | 84% | 0.842 | S | S | * | * | trans | -74.5 | 174.4 | 165.1 | -103.1 | -97.2 | 0 | 0 | 0 | 110.3 | L2060 | L2060-Y2062 HydrophobicContact CD2-CD2 4.22Å; L2060-Y2062 HydrophobicContact CD2-CE2 4.15Å | ||
| 2063 | R | 30.7 | Very low | 31.7 | Very low | 207 Ų | 207 | 176.3 Ų | 176.3 | 78% | 0.781 | 85% | 0.845 | S | S | * | * | trans | -135.9 | 147.5 | -159.5 | -171.3 | -166.9 | 141.2 | 143.6 | 5.9 | 110.8 | ||||
| 2064 | D | 26.5 | Very low | 30.8 | Very low | 122 Ų | 122 | 181.5 Ų | 181.5 | 65% | 0.652 | 85% | 0.853 | S | S | * | * | trans | 66.8 | 61.9 | 168.7 | -58.7 | -20.8 | 0 | 0 | 0 | 116.9 | ||||
| 2065 | L | 31.2 | Very low | 31.1 | Very low | 247 Ų | 247 | 175.3 Ų | 175.3 | 100% | 1.293 | 85% | 0.845 | S | S | * | * | trans | -157.8 | 0 | 138.1 | -112.5 | 169.7 | 0 | 0 | 0 | 110.6 |
Retrieved 2,065 of 2,065 residues in 1329.8 ms
(Link to these results)