| 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 | 63.9 | Low | 71.6 | Confident | 175 Ų | 175 | 107.5 Ų | 107.5 | 86% | 0.862 | 51% | 0.513 | S | S | * | . | 0 | -61 | 0 | -153.4 | 165.8 | 72.2 | 0 | 0 | 113 | Y3 Q4 L5 | M1-Y3 PolarHBondContact O-N 2.88Å; M1-Q4 PolarHBondContact O-N 2.78Å; M1-L5 HydrophobicContact CG-CD1 4.16Å; M1-L5 PolarHBondContact O-N 2.87Å | |||
| 2 | C | 73.5 | Confident | 71.8 | Confident | 105 Ų | 105 | 105.3 Ų | 105.3 | 71% | 0.709 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -58 | -42.3 | -176.6 | -65.2 | 0 | 0 | 0 | 0 | 115.1 | Q4 L5 Y6 | C2-Q4 PolarHBondContact O-N 2.91Å; C2-L5 PolarHBondContact O-N 3.47Å; C2-Y6 WeakPolarHBondContact O-CB 3.44Å; C2-Y6 PolarHBondContact O-N 3.39Å |
| 3 | Y | 72.6 | Confident | 72 | Confident | 162 Ų | 162 | 105.4 Ų | 105.4 | 64% | 0.635 | 49% | 0.494 | S | S | * | . | H | α-helix | trans | -64.1 | -41 | 178.6 | -177.6 | -99.5 | 0 | 0 | 0 | 112.6 | M1 Y6 Q7 | M1-Y3 PolarHBondContact O-N 2.88Å; Y3-Y6 PolarHBondContact O-N 3.42Å; Y3-Q7 HydrophobicContact CD1-CG 4.05Å; Y3-Q7 HydrophobicContact CE1-CG 3.69Å; Y3-Q7 HydrophobicContact CE2-CG 4.4Å; Y3-Q7 VanDerWaalsContact O-CG 3.28Å; Y3-Q7 WeakPolarHBondContact O-CG 3.44Å; Y3-Q7 PolarHBondContact O-N 3.47Å; Y3-Q7 PolarHBondContact OH-NE2 3.09Å |
| 4 | Q | 69.1 | Low | 72.2 | Confident | 144 Ų | 144 | 106.2 Ų | 106.2 | 67% | 0.673 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -66.9 | -41.7 | 177.3 | -74.1 | 172.9 | -45.3 | 0 | 0 | 111.6 | M1 C2 Y6 Q7 Y8 | M1-Q4 PolarHBondContact O-N 2.78Å; C2-Q4 PolarHBondContact O-N 2.91Å; Q4-Y6 VanDerWaalsContact C-N 3.33Å; Q4-Y6 PolarHBondContact O-N 2.93Å; Q4-Q7 PolarHBondContact O-N 3.42Å; Q4-Y8 WeakPolarHBondContact O-CB 3.34Å; Q4-Y8 PolarHBondContact O-N 2.97Å |
| 5 | L | 73.3 | Confident | 72.6 | Confident | 105 Ų | 105 | 109 Ų | 109 | 55% | 0.55 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -61.6 | -41.8 | 173.2 | -72.2 | 170.6 | 0 | 0 | 0 | 111.7 | M1 C2 Y8 A9 | M1-L5 HydrophobicContact CG-CD1 4.16Å; M1-L5 PolarHBondContact O-N 2.87Å; C2-L5 PolarHBondContact O-N 3.47Å; L5-Y8 PolarHBondContact O-N 3.13Å; L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 2.7Å |
| 6 | Y | 73.4 | Confident | 73.4 | Confident | 85 Ų | 85 | 108 Ų | 108 | 33% | 0.333 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -61.7 | -45.4 | 174.7 | 174.3 | -95 | 0 | 0 | 0 | 111.9 | C2 Y3 Q4 A9 R10 P223 | C2-Y6 WeakPolarHBondContact O-CB 3.44Å; C2-Y6 PolarHBondContact O-N 3.39Å; Y3-Y6 PolarHBondContact O-N 3.42Å; Q4-Y6 VanDerWaalsContact C-N 3.33Å; Q4-Y6 PolarHBondContact O-N 2.93Å; Y6-A9 PolarHBondContact O-N 3.44Å; Y6-R10 WeakPolarHBondContact O-CB 3.24Å; Y6-R10 PolarHBondContact O-N 3.07Å; Y6-P223 PolarHBondContact OH-O 3.01Å |
| 7 | Q | 71.6 | Confident | 74.1 | Confident | 31 Ų | 31 | 103.1 Ų | 103.1 | 15% | 0.145 | 47% | 0.469 | C | S | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.1 | -70.7 | -62.1 | -5.8 | 0 | 0 | 112.2 | Y3 Q4 R10 I11 | Y3-Q7 HydrophobicContact CD1-CG 4.05Å; Y3-Q7 HydrophobicContact CE1-CG 3.69Å; Y3-Q7 HydrophobicContact CE2-CG 4.4Å; Y3-Q7 VanDerWaalsContact O-CG 3.28Å; Y3-Q7 WeakPolarHBondContact O-CG 3.44Å; Y3-Q7 PolarHBondContact O-N 3.47Å; Y3-Q7 PolarHBondContact OH-NE2 3.09Å; Q4-Q7 PolarHBondContact O-N 3.42Å; Q7-R10 WeakPolarHBondContact O-CB 3.26Å; Q7-R10 PolarHBondContact O-N 2.53Å; Q7-I11 WeakPolarHBondContact O-CG1 3.12Å; Q7-I11 PolarHBondContact O-N 3.35Å |
| 8 | Y | 72.9 | Confident | 74.6 | Confident | 157 Ų | 157 | 98.6 Ų | 98.6 | 62% | 0.616 | 45% | 0.451 | S | S | * | . | H | α-helix | trans | -61.4 | -48.7 | 174.7 | -177.3 | -93.8 | 0 | 0 | 0 | 111.2 | Q4 L5 R10 I11 H12 | Q4-Y8 WeakPolarHBondContact O-CB 3.34Å; Q4-Y8 PolarHBondContact O-N 2.97Å; L5-Y8 PolarHBondContact O-N 3.13Å; Y8-R10 PolarHBondContact O-N 3.46Å; Y8-I11 PolarHBondContact O-N 3.45Å; Y8-H12 VanDerWaalsContact O-CB 3.28Å; Y8-H12 WeakPolarHBondContact O-CB 3.43Å; Y8-H12 PolarHBondContact O-N 3.25Å |
| 9 | A | 73.4 | Confident | 75.3 | Confident | 37 Ų | 37 | 100.7 Ų | 100.7 | 31% | 0.306 | 46% | 0.459 | S | S | . | . | H | α-helix | trans | -60.5 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | L5 Y6 R13 | L5-A9 WeakPolarHBondContact O-CB 3.32Å; L5-A9 PolarHBondContact O-N 2.7Å; Y6-A9 PolarHBondContact O-N 3.44Å; A9-R13 WeakPolarHBondContact O-CB 3.32Å; A9-R13 VanDerWaalsContact O-CG 3.23Å; A9-R13 WeakPolarHBondContact O-CG 3.43Å; A9-R13 PolarHBondContact O-N 2.88Å; A9-R13 PolarHBondContact O-NE 3.48Å; A9-R13 VanDerWaalsContact O-NE 3.13Å |
| 10 | R | 71.9 | Confident | 76 | Confident | 85 Ų | 85 | 98.9 Ų | 98.9 | 32% | 0.321 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -68.1 | -47.5 | 175.4 | -172.1 | 174.8 | 69.9 | 146.6 | 5.8 | 112 | Y6 Q7 Y8 R13 R14 D224 | Y6-R10 WeakPolarHBondContact O-CB 3.24Å; Y6-R10 PolarHBondContact O-N 3.07Å; Q7-R10 WeakPolarHBondContact O-CB 3.26Å; Q7-R10 PolarHBondContact O-N 2.53Å; Y8-R10 PolarHBondContact O-N 3.46Å; R10-R13 PolarHBondContact O-N 3.32Å; R10-R14 PolarHBondContact O-N 3.19Å; R10-R14 VanDerWaalsContact O-N 3.12Å; R10-D224 VanDerWaalsContact CD-O 3.26Å; R10-D224 WeakPolarHBondContact CD-O 3.46Å |
| 11 | I | 72.5 | Confident | 76.7 | Confident | 97 Ų | 97 | 96.1 Ų | 96.1 | 50% | 0.497 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -46.8 | 177.2 | -68.4 | 167.8 | 0 | 0 | 0 | 110.1 | Q7 Y8 R13 R14 Y15 | Q7-I11 WeakPolarHBondContact O-CG1 3.12Å; Q7-I11 PolarHBondContact O-N 3.35Å; Y8-I11 PolarHBondContact O-N 3.45Å; I11-R13 PolarHBondContact O-N 3.13Å; I11-R14 WeakPolarHBondContact O-CB 3.41Å; I11-R14 PolarHBondContact O-N 2.95Å; I11-R14 VanDerWaalsContact O-N 3.13Å; I11-Y15 HydrophobicContact CG2-CD2 4.03Å; I11-Y15 HydrophobicContact CG2-CE2 4.03Å; I11-Y15 VanDerWaalsContact O-CD2 3.28Å; I11-Y15 WeakPolarHBondContact O-CD2 3.14Å; I11-Y15 PolarHBondContact O-N 2.92Å |
| 12 | H | 73.6 | Confident | 78 | Confident | 81 Ų | 81 | 91.2 Ų | 91.2 | 38% | 0.375 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -57.5 | -49.2 | 178.5 | -171.1 | -85.9 | 0 | 0 | 0 | 110.7 | Y8 R14 Y15 F16 | Y8-H12 VanDerWaalsContact O-CB 3.28Å; Y8-H12 WeakPolarHBondContact O-CB 3.43Å; Y8-H12 PolarHBondContact O-N 3.25Å; H12-R14 VanDerWaalsContact C-N 3.28Å; H12-R14 PolarHBondContact O-N 2.6Å; H12-Y15 PolarHBondContact O-N 2.79Å; H12-F16 VanDerWaalsContact CE1-CB 3.45Å; H12-F16 WeakPolarHBondContact CE1-CB 3.22Å; H12-F16 AromaticContact CE1-CD1 3.68Å; H12-F16 AromaticContact CE1-CD2 3.62Å; H12-F16 AromaticContact CE1-CG 3.28Å; H12-F16 WeakPolarHBondContact CE1-CG 3.15Å; H12-F16 AromaticContact ND1-CG 3.85Å; H12-F16 AromaticContact NE2-CD2 3.92Å; H12-F16 AromaticContact NE2-CG 3.96Å; H12-F16 WeakPolarHBondContact O-CA 3.34Å; H12-F16 WeakPolarHBondContact O-CB 3.46Å; H12-F16 PolarHBondContact O-N 3.21Å |
| 13 | R | 74.1 | Confident | 78.9 | Confident | 106 Ų | 106 | 89.3 Ų | 89.3 | 40% | 0.4 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -59.8 | -35.7 | 177.3 | -76.8 | -177.3 | -74.9 | -157.4 | 5.8 | 113.4 | A9 R10 I11 Y15 I17 | A9-R13 WeakPolarHBondContact O-CB 3.32Å; A9-R13 VanDerWaalsContact O-CG 3.23Å; A9-R13 WeakPolarHBondContact O-CG 3.43Å; A9-R13 PolarHBondContact O-N 2.88Å; A9-R13 PolarHBondContact O-NE 3.48Å; A9-R13 VanDerWaalsContact O-NE 3.13Å; R10-R13 PolarHBondContact O-N 3.32Å; I11-R13 PolarHBondContact O-N 3.13Å; R13-Y15 VanDerWaalsContact C-N 3.32Å; R13-Y15 PolarHBondContact O-N 3.3Å; R13-I17 HydrophobicContact CB-CD1 4.01Å; R13-I17 HydrophobicContact CG-CD1 4.08Å; R13-I17 WeakPolarHBondContact O-CB 3.44Å; R13-I17 WeakPolarHBondContact O-CG1 3.29Å |
| 14 | R | 74.4 | Confident | 79.8 | Confident | 117 Ų | 117 | 85.3 Ų | 85.3 | 44% | 0.442 | 39% | 0.391 | S | S | . | . | H | α-helix | trans | -64.7 | -32.2 | -179.8 | -169.6 | 174.6 | -174.4 | -175.3 | 0.2 | 113.6 | R10 I11 H12 P18 | R10-R14 PolarHBondContact O-N 3.19Å; R10-R14 VanDerWaalsContact O-N 3.12Å; I11-R14 WeakPolarHBondContact O-CB 3.41Å; I11-R14 PolarHBondContact O-N 2.95Å; I11-R14 VanDerWaalsContact O-N 3.13Å; H12-R14 VanDerWaalsContact C-N 3.28Å; H12-R14 PolarHBondContact O-N 2.6Å; R14-P18 WeakPolarHBondContact O-CD 3.39Å; R14-P18 WeakPolarHBondContact O-CG 3.17Å |
| 15 | Y | 78.4 | Confident | 80.9 | Confident | 148 Ų | 148 | 79.5 Ų | 79.5 | 58% | 0.58 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -110.6 | -37.6 | -175.8 | -62 | -70.4 | 0 | 0 | 0 | 113.6 | I11 H12 R13 I17 F19 | I11-Y15 HydrophobicContact CG2-CD2 4.03Å; I11-Y15 HydrophobicContact CG2-CE2 4.03Å; I11-Y15 VanDerWaalsContact O-CD2 3.28Å; I11-Y15 WeakPolarHBondContact O-CD2 3.14Å; I11-Y15 PolarHBondContact O-N 2.92Å; H12-Y15 PolarHBondContact O-N 2.79Å; R13-Y15 VanDerWaalsContact C-N 3.32Å; R13-Y15 PolarHBondContact O-N 3.3Å; Y15-I17 PolarHBondContact O-N 3.45Å; Y15-F19 WeakPolarHBondContact O-CB 3.45Å; Y15-F19 PolarHBondContact O-N 3.21Å; Y15-F19 VanDerWaalsContact O-N 3.14Å |
| 16 | F | 85.5 | Confident | 81.8 | Confident | 93 Ų | 93 | 78.5 Ų | 78.5 | 41% | 0.408 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -65.3 | -40.4 | -178.7 | 179.4 | -102.7 | 0 | 0 | 0 | 112 | H12 F19 L20 | H12-F16 VanDerWaalsContact CE1-CB 3.45Å; H12-F16 WeakPolarHBondContact CE1-CB 3.22Å; H12-F16 AromaticContact CE1-CD1 3.68Å; H12-F16 AromaticContact CE1-CD2 3.62Å; H12-F16 AromaticContact CE1-CG 3.28Å; H12-F16 WeakPolarHBondContact CE1-CG 3.15Å; H12-F16 AromaticContact ND1-CG 3.85Å; H12-F16 AromaticContact NE2-CD2 3.92Å; H12-F16 AromaticContact NE2-CG 3.96Å; H12-F16 WeakPolarHBondContact O-CA 3.34Å; H12-F16 WeakPolarHBondContact O-CB 3.46Å; H12-F16 PolarHBondContact O-N 3.21Å; F16-F19 PolarHBondContact O-N 3.38Å; F16-L20 HydrophobicContact CE1-CD2 4.11Å; F16-L20 VanDerWaalsContact O-CB 3.3Å; F16-L20 WeakPolarHBondContact O-CB 3.18Å; F16-L20 PolarHBondContact O-N 3.32Å |
| 17 | I | 86 | Confident | 82.7 | Confident | 25 Ų | 25 | 76.4 Ų | 76.4 | 13% | 0.128 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -68.7 | -45.6 | -176.8 | -59.9 | 174.8 | 0 | 0 | 0 | 110.9 | R13 Y15 F19 L20 H21 P237 W238 | R13-I17 HydrophobicContact CB-CD1 4.01Å; R13-I17 HydrophobicContact CG-CD1 4.08Å; R13-I17 WeakPolarHBondContact O-CB 3.44Å; R13-I17 WeakPolarHBondContact O-CG1 3.29Å; Y15-I17 PolarHBondContact O-N 3.45Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.03Å; I17-L20 PolarHBondContact O-N 3.23Å; I17-H21 PolarHBondContact O-N 3.22Å; I17-P237 WeakPolarHBondContact CD1-O 3.37Å; I17-P237 WeakPolarHBondContact CG2-O 3.4Å; I17-W238 HydrophobicContact CG2-CE3 4.33Å; I17-W238 WeakPolarHBondContact CG2-O 3.36Å |
| 18 | P | 83.6 | Confident | 83.7 | Confident | 22 Ų | 22 | 75.2 Ų | 75.2 | 14% | 0.143 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -55.9 | -42.4 | 169.3 | -30.3 | 38 | 0 | 0 | 0 | 115.5 | R14 H21 I22 Y66 | R14-P18 WeakPolarHBondContact O-CD 3.39Å; R14-P18 WeakPolarHBondContact O-CG 3.17Å; P18-H21 PolarHBondContact O-N 2.87Å; P18-I22 WeakPolarHBondContact O-CG1 3.12Å; P18-I22 PolarHBondContact O-N 3.39Å; P18-I22 VanDerWaalsContact O-N 3.15Å; P18-Y66 WeakPolarHBondContact CA-OH 3.5Å; P18-Y66 HydrophobicContact CB-CE1 3.77Å; P18-Y66 HydrophobicContact CG-CE1 4.35Å |
| 19 | F | 86.7 | Confident | 84.6 | Confident | 138 Ų | 138 | 68.3 Ų | 68.3 | 61% | 0.605 | 33% | 0.333 | S | S | * | . | H | α-helix | trans | -63.2 | -43.2 | 175.8 | 179 | -98.1 | 0 | 0 | 0 | 112.2 | Y15 F16 I17 I22 T23 | Y15-F19 WeakPolarHBondContact O-CB 3.45Å; Y15-F19 PolarHBondContact O-N 3.21Å; Y15-F19 VanDerWaalsContact O-N 3.14Å; F16-F19 PolarHBondContact O-N 3.38Å; I17-F19 VanDerWaalsContact C-N 3.33Å; I17-F19 PolarHBondContact O-N 3.03Å; F19-I22 PolarHBondContact O-N 2.84Å; F19-T23 WeakPolarHBondContact O-CB 3.31Å; F19-T23 PolarHBondContact O-N 3.3Å; F19-T23 PolarHBondContact O-OG1 2.99Å |
| 20 | L | 90 | Very high | 85.5 | Confident | 65 Ų | 65 | 71.1 Ų | 71.1 | 34% | 0.34 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -62.5 | -43.8 | 177.5 | -179.6 | 62.6 | 0 | 0 | 0 | 111.5 | F16 I17 T23 I24 | F16-L20 HydrophobicContact CE1-CD2 4.11Å; F16-L20 VanDerWaalsContact O-CB 3.3Å; F16-L20 WeakPolarHBondContact O-CB 3.18Å; F16-L20 PolarHBondContact O-N 3.32Å; I17-L20 PolarHBondContact O-N 3.23Å; L20-T23 PolarHBondContact O-N 3.15Å; L20-I24 HydrophobicContact CD1-CD1 4.03Å; L20-I24 HydrophobicContact CD1-CG1 4.26Å; L20-I24 HydrophobicContact CG-CD1 3.88Å; L20-I24 VanDerWaalsContact O-CG1 3.29Å; L20-I24 WeakPolarHBondContact O-CG1 3.27Å; L20-I24 PolarHBondContact O-N 3.4Å |
| 21 | H | 91.4 | Very high | 86.4 | Confident | 40 Ų | 40 | 68.5 Ų | 68.5 | 19% | 0.185 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -57.9 | -51.1 | 176.8 | -176.6 | 72.3 | 0 | 0 | 0 | 111.6 | I17 P18 T23 I24 C25 Y66 F254 Q258 | I17-H21 PolarHBondContact O-N 3.22Å; P18-H21 PolarHBondContact O-N 2.87Å; H21-T23 VanDerWaalsContact C-N 3.31Å; H21-T23 PolarHBondContact O-N 3.26Å; H21-I24 PolarHBondContact O-N 3.45Å; H21-C25 PolarHBondContact O-N 2.95Å; H21-C25 PolarHBondContact O-SG 3.38Å; H21-C25 VanDerWaalsContact O-SG 3.34Å; H21-Y66 HydrophobicContact CB-CE1 3.99Å; H21-Y66 HydrophobicContact CB-CE2 4.43Å; H21-Y66 AromaticContact CD2-CD1 3.89Å; H21-Y66 AromaticContact CD2-CE1 3.81Å; H21-Y66 AromaticContact CD2-CZ 3.9Å; H21-Y66 AromaticContact CG-CZ 3.84Å; H21-F254 AromaticContact NE2-CE2 3.82Å; H21-Q258 PolarHBondContact CE1-OE1 2.92Å; H21-Q258 PolarHBondContact NE2-OE1 3.23Å |
| 22 | I | 90.1 | Very high | 87.3 | Confident | 73 Ų | 73 | 63.9 Ų | 63.9 | 37% | 0.374 | 31% | 0.313 | S | S | . | . | H | α-helix | trans | -60.2 | -43.3 | 178.1 | -65 | 166.7 | 0 | 0 | 0 | 110.6 | P18 F19 I24 C25 L26 F63 | P18-I22 WeakPolarHBondContact O-CG1 3.12Å; P18-I22 PolarHBondContact O-N 3.39Å; P18-I22 VanDerWaalsContact O-N 3.15Å; F19-I22 PolarHBondContact O-N 2.84Å; I22-I24 PolarHBondContact O-N 2.98Å; I22-C25 PolarHBondContact O-N 3.33Å; I22-L26 HydrophobicContact CG2-CD1 3.89Å; I22-L26 HydrophobicContact CG2-CG 4.3Å; I22-L26 WeakPolarHBondContact O-CB 3.41Å; I22-L26 WeakPolarHBondContact O-CG 3.26Å; I22-L26 PolarHBondContact O-N 2.83Å; I22-F63 HydrophobicContact CG1-CD1 4.44Å; I22-F63 HydrophobicContact CG1-CE1 4.42Å |
| 23 | T | 92.2 | Very high | 88.1 | Confident | 64 Ų | 64 | 61.3 Ų | 61.3 | 39% | 0.393 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -61.7 | -42.6 | 179 | -57.3 | 0 | 0 | 0 | 0 | 111.7 | F19 L20 H21 G27 | F19-T23 WeakPolarHBondContact O-CB 3.31Å; F19-T23 PolarHBondContact O-N 3.3Å; F19-T23 PolarHBondContact O-OG1 2.99Å; L20-T23 PolarHBondContact O-N 3.15Å; H21-T23 VanDerWaalsContact C-N 3.31Å; H21-T23 PolarHBondContact O-N 3.26Å; T23-G27 PolarHBondContact O-N 2.89Å |
| 24 | I | 92.1 | Very high | 88.8 | Confident | 79 Ų | 79 | 62.2 Ų | 62.2 | 41% | 0.405 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -64.3 | -47.1 | 176.8 | -69 | 166.1 | 0 | 0 | 0 | 110.6 | L20 H21 I22 L26 G27 V28 M295 | L20-I24 HydrophobicContact CD1-CD1 4.03Å; L20-I24 HydrophobicContact CD1-CG1 4.26Å; L20-I24 HydrophobicContact CG-CD1 3.88Å; L20-I24 VanDerWaalsContact O-CG1 3.29Å; L20-I24 WeakPolarHBondContact O-CG1 3.27Å; L20-I24 PolarHBondContact O-N 3.4Å; H21-I24 PolarHBondContact O-N 3.45Å; I22-I24 PolarHBondContact O-N 2.98Å; I24-L26 PolarHBondContact O-N 3.21Å; I24-G27 PolarHBondContact O-N 3.31Å; I24-V28 PolarHBondContact O-N 3.11Å; I24-M295 HydrophobicContact CG2-CE 4.19Å |
| 25 | C | 92.9 | Very high | 89.5 | Confident | 21 Ų | 21 | 59.1 Ų | 59.1 | 14% | 0.142 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.3 | -45.8 | 179.3 | -67 | 0 | 0 | 0 | 0 | 112 | H21 I22 G27 V28 L29 F63 | H21-C25 PolarHBondContact O-N 2.95Å; H21-C25 PolarHBondContact O-SG 3.38Å; H21-C25 VanDerWaalsContact O-SG 3.34Å; I22-C25 PolarHBondContact O-N 3.33Å; C25-G27 VanDerWaalsContact C-N 3.34Å; C25-V28 PolarHBondContact O-N 3.36Å; C25-L29 WeakPolarHBondContact O-CB 3.41Å; C25-L29 PolarHBondContact O-N 2.82Å; C25-L29 VanDerWaalsContact O-N 3.11Å; C25-F63 HydrophobicContact CB-CE1 3.63Å; C25-F63 HydrophobicContact CB-CZ 3.53Å |
| 26 | L | 92.3 | Very high | 89.9 | Confident | 85 Ų | 85 | 60.9 Ų | 60.9 | 45% | 0.445 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -68.2 | -34.1 | 176.4 | -66.1 | 178.8 | 0 | 0 | 0 | 112.3 | I22 I24 V28 L29 L30 | I22-L26 HydrophobicContact CG2-CD1 3.89Å; I22-L26 HydrophobicContact CG2-CG 4.3Å; I22-L26 WeakPolarHBondContact O-CB 3.41Å; I22-L26 WeakPolarHBondContact O-CG 3.26Å; I22-L26 PolarHBondContact O-N 2.83Å; I24-L26 PolarHBondContact O-N 3.21Å; L26-V28 VanDerWaalsContact C-N 3.25Å; L26-V28 PolarHBondContact O-N 3.5Å; L26-L29 PolarHBondContact O-N 2.82Å; L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.4Å; L26-L30 PolarHBondContact O-N 3.47Å |
| 27 | G | 92.3 | Very high | 90.1 | Very high | 40 Ų | 40 | 56.7 Ų | 56.7 | 41% | 0.412 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -65 | -24.2 | 178 | 0 | 0 | 0 | 0 | 0 | 114.3 | T23 I24 C25 P31 | T23-G27 PolarHBondContact O-N 2.89Å; I24-G27 PolarHBondContact O-N 3.31Å; C25-G27 VanDerWaalsContact C-N 3.34Å; G27-P31 WeakPolarHBondContact O-CD 3.42Å; G27-P31 VanDerWaalsContact O-CG 3.31Å; G27-P31 WeakPolarHBondContact O-CG 3.15Å |
| 28 | V | 92.1 | Very high | 90.2 | Very high | 6 Ų | 6 | 56.5 Ų | 56.5 | 4% | 0.036 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -87.2 | -46.3 | 169.8 | -179.9 | 0 | 0 | 0 | 0 | 111.1 | I24 C25 L26 L30 P31 L32 C265 F292 M295 L296 | I24-V28 PolarHBondContact O-N 3.11Å; C25-V28 PolarHBondContact O-N 3.36Å; L26-V28 VanDerWaalsContact C-N 3.25Å; L26-V28 PolarHBondContact O-N 3.5Å; V28-L30 PolarHBondContact O-N 3.2Å; V28-P31 WeakPolarHBondContact O-CD 3.12Å; V28-L32 HydrophobicContact CG1-CD1 3.98Å; V28-L32 WeakPolarHBondContact O-CG 3.5Å; V28-L32 PolarHBondContact O-N 3.33Å; V28-C265 HydrophobicContact CG1-CB 4.44Å; V28-F292 HydrophobicContact CG1-CG 4.44Å; V28-F292 HydrophobicContact CG2-CD1 4.09Å; V28-F292 HydrophobicContact CG2-CE1 4.35Å; V28-M295 HydrophobicContact CG2-CE 3.13Å; V28-L296 HydrophobicContact CG1-CD1 4.31Å; V28-L296 HydrophobicContact CG1-CD2 4.44Å |
| 29 | L | 91.8 | Very high | 90.4 | Very high | 12 Ų | 12 | 55.4 Ų | 55.4 | 6% | 0.063 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -65 | -43.8 | -173.3 | 178.5 | 62.3 | 0 | 0 | 0 | 112.6 | C25 L26 L32 L33 L39 F55 F56 L59 | C25-L29 WeakPolarHBondContact O-CB 3.41Å; C25-L29 PolarHBondContact O-N 2.82Å; C25-L29 VanDerWaalsContact O-N 3.11Å; L26-L29 PolarHBondContact O-N 2.82Å; L29-L32 WeakPolarHBondContact O-CB 3.3Å; L29-L32 PolarHBondContact O-N 3.18Å; L29-L33 HydrophobicContact CD1-CD1 4.03Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CD2-CD1 4.39Å; L29-L33 HydrophobicContact CG-CD1 3.83Å; L29-L33 HydrophobicContact CG-CG 4.4Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.04Å; L29-L39 HydrophobicContact CD1-CD2 3.96Å; L29-F55 HydrophobicContact CD1-CE1 3.55Å; L29-F55 HydrophobicContact CD1-CZ 3.94Å; L29-F56 HydrophobicContact CD1-CZ 4.28Å; L29-F56 HydrophobicContact CD2-CE1 4.01Å; L29-F56 HydrophobicContact CD2-CZ 4.29Å; L29-L59 HydrophobicContact CD2-CD2 3.42Å; L29-L59 VanDerWaalsContact CD2-CD2 3.42Å |
| 30 | L | 91.6 | Very high | 90.6 | Very high | 96 Ų | 96 | 51.1 Ų | 51.1 | 50% | 0.503 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -64.4 | -47 | -173.2 | -176.6 | 67.8 | 0 | 0 | 0 | 111.8 | L26 V28 L32 L33 L34 | L26-L30 VanDerWaalsContact O-CB 3.27Å; L26-L30 WeakPolarHBondContact O-CB 3.4Å; L26-L30 PolarHBondContact O-N 3.47Å; V28-L30 PolarHBondContact O-N 3.2Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 2.86Å; L30-L33 PolarHBondContact O-N 2.61Å; L30-L33 VanDerWaalsContact O-N 3.09Å; L30-L34 HydrophobicContact CD1-CD1 3.64Å; L30-L34 HydrophobicContact CD1-CD2 4.4Å; L30-L34 HydrophobicContact CD1-CG 3.82Å; L30-L34 HydrophobicContact CD2-CD1 4.2Å; L30-L34 HydrophobicContact CG-CD1 3.63Å; L30-L34 HydrophobicContact CG-CG 4.1Å; L30-L34 WeakPolarHBondContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.05Å |
| 31 | P | 90.6 | Very high | 90.6 | Very high | 31 Ų | 31 | 52.6 Ų | 52.6 | 20% | 0.201 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -61.6 | -34.6 | 172.7 | -28.2 | 39.4 | 0 | 0 | 0 | 114 | G27 V28 L33 L34 C35 L288 F292 | G27-P31 WeakPolarHBondContact O-CD 3.42Å; G27-P31 VanDerWaalsContact O-CG 3.31Å; G27-P31 WeakPolarHBondContact O-CG 3.15Å; V28-P31 WeakPolarHBondContact O-CD 3.12Å; P31-L33 VanDerWaalsContact C-N 3.27Å; P31-L33 PolarHBondContact O-N 3.11Å; P31-L34 PolarHBondContact O-N 3.31Å; P31-C35 VanDerWaalsContact O-CB 3.24Å; P31-C35 WeakPolarHBondContact O-CB 3.34Å; P31-C35 PolarHBondContact O-N 3.01Å; P31-L288 HydrophobicContact CB-CD2 4.3Å; P31-F292 HydrophobicContact CB-CE2 3.77Å; P31-F292 HydrophobicContact CB-CZ 3.98Å; P31-F292 HydrophobicContact CG-CE2 4.19Å; P31-F292 HydrophobicContact CG-CZ 3.87Å |
| 32 | L | 91.1 | Very high | 90.4 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -64.5 | -31.7 | 173.4 | -71.5 | 175.9 | 0 | 0 | 0 | 112.2 | V28 L29 L30 S37 L39 H40 C265 F289 | V28-L32 HydrophobicContact CG1-CD1 3.98Å; V28-L32 WeakPolarHBondContact O-CG 3.5Å; V28-L32 PolarHBondContact O-N 3.33Å; L29-L32 WeakPolarHBondContact O-CB 3.3Å; L29-L32 PolarHBondContact O-N 3.18Å; L30-L32 VanDerWaalsContact C-N 3.31Å; L30-L32 PolarHBondContact O-N 2.86Å; L32-S37 WeakPolarHBondContact O-CB 3.26Å; L32-S37 PolarHBondContact O-OG 3.38Å; L32-L39 HydrophobicContact CB-CB 4.35Å; L32-L39 HydrophobicContact CB-CD2 3.81Å; L32-H40 PolarHBondContact O-N 3.37Å; L32-C265 HydrophobicContact CD1-CB 4.24Å; L32-F289 HydrophobicContact CD2-CD1 4.31Å; L32-F289 HydrophobicContact CD2-CE1 4.02Å |
| 33 | L | 90.1 | Very high | 90.3 | Very high | 27 Ų | 27 | 48.7 Ų | 48.7 | 14% | 0.141 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -82.5 | -32.8 | 175.6 | -66.8 | 166.6 | 0 | 0 | 0 | 113.3 | L29 L30 P31 L39 H40 F56 | L29-L33 HydrophobicContact CD1-CD1 4.03Å; L29-L33 HydrophobicContact CD1-CG 4.17Å; L29-L33 HydrophobicContact CD2-CD1 4.39Å; L29-L33 HydrophobicContact CG-CD1 3.83Å; L29-L33 HydrophobicContact CG-CG 4.4Å; L29-L33 WeakPolarHBondContact O-CG 3.4Å; L29-L33 PolarHBondContact O-N 3.04Å; L30-L33 PolarHBondContact O-N 2.61Å; L30-L33 VanDerWaalsContact O-N 3.09Å; P31-L33 VanDerWaalsContact C-N 3.27Å; P31-L33 PolarHBondContact O-N 3.11Å; L33-L39 HydrophobicContact CD2-CD2 3.82Å; L33-L39 HydrophobicContact CD2-CG 4.02Å; L33-L39 HydrophobicContact CG-CD2 4.16Å; L33-H40 PolarHBondContact O-ND1 3.23Å; L33-F56 HydrophobicContact CD1-CZ 3.88Å; L33-F56 HydrophobicContact CD2-CE2 4.41Å; L33-F56 HydrophobicContact CD2-CZ 4.1Å |
| 34 | L | 89.9 | Confident | 90.1 | Very high | 125 Ų | 125 | 51.2 Ų | 51.2 | 65% | 0.654 | 27% | 0.268 | S | S | * | . | H | α-helix | trans | -93.5 | -29.8 | -171.6 | -65.6 | -175.9 | 0 | 0 | 0 | 114.3 | L30 P31 | L30-L34 HydrophobicContact CD1-CD1 3.64Å; L30-L34 HydrophobicContact CD1-CD2 4.4Å; L30-L34 HydrophobicContact CD1-CG 3.82Å; L30-L34 HydrophobicContact CD2-CD1 4.2Å; L30-L34 HydrophobicContact CG-CD1 3.63Å; L30-L34 HydrophobicContact CG-CG 4.1Å; L30-L34 WeakPolarHBondContact O-CB 3.32Å; L30-L34 WeakPolarHBondContact O-CG 3.44Å; L30-L34 PolarHBondContact O-N 3.05Å; P31-L34 PolarHBondContact O-N 3.31Å |
| 35 | C | 88.4 | Confident | 89.9 | Confident | 51 Ų | 51 | 53.1 Ų | 53.1 | 35% | 0.345 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -87.4 | 161.8 | 175.1 | -61.5 | 0 | 0 | 0 | 0 | 110.4 | P31 S37 H40 | P31-C35 VanDerWaalsContact O-CB 3.24Å; P31-C35 WeakPolarHBondContact O-CB 3.34Å; P31-C35 PolarHBondContact O-N 3.01Å; C35-S37 PolarHBondContact O-N 2.62Å; C35-H40 WeakPolarHBondContact O-CB 3.45Å |
| 36 | E | 86.9 | Confident | 89.7 | Confident | 185 Ų | 185 | 57 Ų | 57 | 86% | 0.864 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -65.2 | 73.4 | 170.5 | -67.3 | -179.8 | -178.3 | 0 | 0 | 110.8 | ||
| 37 | S | 89.9 | Confident | 89.3 | Confident | 6 Ų | 6 | 58.8 Ų | 58.8 | 4% | 0.042 | 30% | 0.3 | C | S | . | . | trans | -103.6 | 166.4 | 175.8 | 93.7 | 0 | 0 | 0 | 0 | 109.9 | L32 C35 L39 H40 R41 S272 | L32-S37 WeakPolarHBondContact O-CB 3.26Å; L32-S37 PolarHBondContact O-OG 3.38Å; C35-S37 PolarHBondContact O-N 2.62Å; S37-L39 PolarHBondContact O-N 2.83Å; S37-L39 PolarHBondContact OG-N 2.96Å; S37-H40 WeakPolarHBondContact O-CB 3.36Å; S37-H40 PolarHBondContact O-N 3.34Å; S37-H40 VanDerWaalsContact O-N 3.13Å; S37-H40 PolarHBondContact OG-N 3.25Å; S37-H40 VanDerWaalsContact OG-N 3.11Å; S37-R41 PolarHBondContact O-N 2.85Å; S37-S272 WeakPolarHBondContact CA-OG 3.38Å; S37-S272 VanDerWaalsContact CB-OG 3.3Å; S37-S272 WeakPolarHBondContact CB-OG 3.17Å | ||
| 38 | E | 89 | Confident | 89 | Confident | 20 Ų | 20 | 59.4 Ų | 59.4 | 9% | 0.093 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -54.6 | -42.5 | 169.8 | -174 | 68.1 | -172.5 | 0 | 0 | 111.7 | H40 R41 V42 Y268 S272 | E38-H40 VanDerWaalsContact C-N 3.35Å; E38-H40 PolarHBondContact O-N 3.12Å; E38-R41 PolarHBondContact O-N 3.34Å; E38-R41 IonicContact OE1-CZ 3.49Å; E38-R41 IonicContact OE1-NH1 3.8Å; E38-R41 IonicContact OE1-NH2 3.58Å; E38-R41 PolarHBondContact OE1-NH2 3.36Å; E38-R41 IonicContact OE2-CZ 3.07Å; E38-R41 IonicContact OE2-NH1 2.6Å; E38-R41 PolarHBondContact OE2-NH1 2.95Å; E38-R41 IonicContact OE2-NH2 3.55Å; E38-R41 PolarHBondContact OE2-NH2 3.46Å; E38-V42 WeakPolarHBondContact O-CG2 3.46Å; E38-V42 PolarHBondContact O-N 3.09Å; E38-Y268 HydrophobicContact CB-CD1 3.9Å; E38-Y268 HydrophobicContact CG-CD1 3.65Å; E38-Y268 HydrophobicContact CG-CE1 4.16Å; E38-S272 PolarHBondContact N-OG 2.89Å |
| 39 | L | 88 | Confident | 88.6 | Confident | 0 Ų | 0 | 65.3 Ų | 65.3 | 0% | 0 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -64.1 | -41.9 | 177.5 | 179.5 | 62.9 | 0 | 0 | 0 | 111 | L29 L32 L33 S37 R41 V42 V43 Y268 | L29-L39 HydrophobicContact CD1-CD2 3.96Å; L32-L39 HydrophobicContact CB-CB 4.35Å; L32-L39 HydrophobicContact CB-CD2 3.81Å; L33-L39 HydrophobicContact CD2-CD2 3.82Å; L33-L39 HydrophobicContact CD2-CG 4.02Å; L33-L39 HydrophobicContact CG-CD2 4.16Å; S37-L39 PolarHBondContact O-N 2.83Å; S37-L39 PolarHBondContact OG-N 2.96Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.25Å; L39-V42 PolarHBondContact O-N 2.95Å; L39-V43 HydrophobicContact CD1-CG2 3.86Å; L39-V43 HydrophobicContact CG-CG2 4.36Å; L39-V43 WeakPolarHBondContact O-CB 3.36Å; L39-V43 WeakPolarHBondContact O-CG2 3.44Å; L39-V43 PolarHBondContact O-N 3.44Å; L39-Y268 HydrophobicContact CB-CD1 3.97Å; L39-Y268 HydrophobicContact CB-CD2 4.07Å; L39-Y268 HydrophobicContact CB-CE1 4.39Å; L39-Y268 HydrophobicContact CB-CE2 4.47Å; L39-Y268 HydrophobicContact CB-CG 3.81Å; L39-Y268 HydrophobicContact CD1-CD2 4Å; L39-Y268 HydrophobicContact CD1-CE1 4.28Å; L39-Y268 HydrophobicContact CD1-CE2 3.61Å; L39-Y268 HydrophobicContact CD1-CG 4.47Å; L39-Y268 HydrophobicContact CG-CD2 4.42Å |
| 40 | H | 90 | Very high | 88.4 | Confident | 48 Ų | 48 | 70.8 Ų | 70.8 | 22% | 0.222 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -59.7 | -44.6 | 175.7 | -179 | 107.3 | 0 | 0 | 0 | 110.9 | L32 L33 C35 S37 E38 V43 F44 | L32-H40 PolarHBondContact O-N 3.37Å; L33-H40 PolarHBondContact O-ND1 3.23Å; C35-H40 WeakPolarHBondContact O-CB 3.45Å; S37-H40 WeakPolarHBondContact O-CB 3.36Å; S37-H40 PolarHBondContact O-N 3.34Å; S37-H40 VanDerWaalsContact O-N 3.13Å; S37-H40 PolarHBondContact OG-N 3.25Å; S37-H40 VanDerWaalsContact OG-N 3.11Å; E38-H40 VanDerWaalsContact C-N 3.35Å; E38-H40 PolarHBondContact O-N 3.12Å; H40-V43 PolarHBondContact O-N 2.93Å; H40-F44 HydrophobicContact CB-CD2 4.46Å; H40-F44 AromaticContact CE1-CD2 3.74Å; H40-F44 AromaticContact CG-CD2 3.82Å; H40-F44 AromaticContact ND1-CD2 3.61Å; H40-F44 AromaticContact ND1-CE2 3.98Å; H40-F44 WeakPolarHBondContact O-CB 3.24Å; H40-F44 WeakPolarHBondContact O-CD2 3.46Å; H40-F44 PolarHBondContact O-N 3.29Å |
| 41 | R | 90.4 | Very high | 88 | Confident | 96 Ų | 96 | 70.6 Ų | 70.6 | 36% | 0.362 | 34% | 0.343 | S | S | . | . | I | π-helix | trans | -63.2 | -49.2 | 179.2 | -167.3 | -179.5 | 78.1 | -123 | -6 | 111.9 | S37 E38 L39 V43 I45 E46 | S37-R41 PolarHBondContact O-N 2.85Å; E38-R41 PolarHBondContact O-N 3.34Å; E38-R41 IonicContact OE1-CZ 3.49Å; E38-R41 IonicContact OE1-NH1 3.8Å; E38-R41 IonicContact OE1-NH2 3.58Å; E38-R41 PolarHBondContact OE1-NH2 3.36Å; E38-R41 IonicContact OE2-CZ 3.07Å; E38-R41 IonicContact OE2-NH1 2.6Å; E38-R41 PolarHBondContact OE2-NH1 2.95Å; E38-R41 IonicContact OE2-NH2 3.55Å; E38-R41 PolarHBondContact OE2-NH2 3.46Å; L39-R41 VanDerWaalsContact C-N 3.31Å; L39-R41 PolarHBondContact O-N 3.25Å; R41-V43 VanDerWaalsContact C-N 3.28Å; R41-V43 PolarHBondContact O-N 2.94Å; R41-I45 HydrophobicContact CB-CD1 4.32Å; R41-I45 HydrophobicContact CG-CB 3.9Å; R41-I45 HydrophobicContact CG-CD1 3.89Å; R41-I45 HydrophobicContact CG-CG1 4.36Å; R41-I45 HydrophobicContact CG-CG2 4.26Å; R41-I45 CarbonylContact O-C 3.44Å; R41-I45 WeakPolarHBondContact O-CA 3.35Å; R41-I45 VanDerWaalsContact O-CB 3.26Å; R41-I45 WeakPolarHBondContact O-CB 3.44Å; R41-I45 PolarHBondContact O-N 3.45Å; R41-E46 HydrophobicContact CG-CG 4.41Å; R41-E46 IonicContact CZ-OE1 3.46Å; R41-E46 IonicContact NE-OE1 2.79Å; R41-E46 PolarHBondContact NE-OE1 2.7Å; R41-E46 IonicContact NH2-OE1 2.81Å; R41-E46 PolarHBondContact NH2-OE1 3.24Å; R41-E46 PolarHBondContact O-N 3.48Å |
| 42 | V | 87.5 | Confident | 87.7 | Confident | 13 Ų | 13 | 71.9 Ų | 71.9 | 8% | 0.079 | 35% | 0.346 | C | S | . | . | I | π-helix | trans | -58.3 | -41.9 | 179.5 | 172 | 0 | 0 | 0 | 0 | 111.5 | E38 L39 Q47 D48 Y268 | E38-V42 WeakPolarHBondContact O-CG2 3.46Å; E38-V42 PolarHBondContact O-N 3.09Å; L39-V42 PolarHBondContact O-N 2.95Å; V42-Q47 PolarHBondContact O-N 3.07Å; V42-D48 HydrophobicContact CG1-CB 3.93Å; V42-D48 PolarHBondContact O-N 2.76Å; V42-D48 VanDerWaalsContact O-N 3.13Å; V42-Y268 HydrophobicContact CG2-CE1 4.32Å |
| 43 | V | 86.2 | Confident | 87.6 | Confident | 17 Ų | 17 | 76.1 Ų | 76.1 | 10% | 0.103 | 37% | 0.372 | C | S | . | . | I | π-helix | trans | -78.5 | -49.8 | -174.9 | 176.1 | 0 | 0 | 0 | 0 | 112.7 | L39 H40 R41 F52 | L39-V43 HydrophobicContact CD1-CG2 3.86Å; L39-V43 HydrophobicContact CG-CG2 4.36Å; L39-V43 WeakPolarHBondContact O-CB 3.36Å; L39-V43 WeakPolarHBondContact O-CG2 3.44Å; L39-V43 PolarHBondContact O-N 3.44Å; H40-V43 PolarHBondContact O-N 2.93Å; R41-V43 VanDerWaalsContact C-N 3.28Å; R41-V43 PolarHBondContact O-N 2.94Å; V43-F52 HydrophobicContact CB-CD2 4.18Å; V43-F52 HydrophobicContact CG1-CD2 3.71Å; V43-F52 HydrophobicContact CG1-CE2 3.71Å; V43-F52 HydrophobicContact CG1-CG 4.37Å; V43-F52 HydrophobicContact CG1-CZ 4.48Å; V43-F52 HydrophobicContact CG2-CB 4.19Å; V43-F52 HydrophobicContact CG2-CD2 3.33Å; V43-F52 HydrophobicContact CG2-CE2 3.99Å; V43-F52 HydrophobicContact CG2-CG 4.11Å |
| 44 | F | 89.1 | Confident | 87.7 | Confident | 118 Ų | 118 | 77.3 Ų | 77.3 | 52% | 0.518 | 38% | 0.382 | S | S | . | . | I | π-helix | trans | -99.2 | -24.7 | -169.3 | -62.2 | -69.3 | 0 | 0 | 0 | 113.7 | H40 | H40-F44 HydrophobicContact CB-CD2 4.46Å; H40-F44 AromaticContact CE1-CD2 3.74Å; H40-F44 AromaticContact CG-CD2 3.82Å; H40-F44 AromaticContact ND1-CD2 3.61Å; H40-F44 AromaticContact ND1-CE2 3.98Å; H40-F44 WeakPolarHBondContact O-CB 3.24Å; H40-F44 WeakPolarHBondContact O-CD2 3.46Å; H40-F44 PolarHBondContact O-N 3.29Å |
| 45 | I | 87.5 | Confident | 87.6 | Confident | 118 Ų | 118 | 71.4 Ų | 71.4 | 61% | 0.605 | 35% | 0.351 | S | S | * | . | I | π-helix | trans | -103.1 | -55.6 | -176.2 | -58.9 | 174.2 | 0 | 0 | 0 | 110.8 | R41 Q47 | R41-I45 HydrophobicContact CB-CD1 4.32Å; R41-I45 HydrophobicContact CG-CB 3.9Å; R41-I45 HydrophobicContact CG-CD1 3.89Å; R41-I45 HydrophobicContact CG-CG1 4.36Å; R41-I45 HydrophobicContact CG-CG2 4.26Å; R41-I45 CarbonylContact O-C 3.44Å; R41-I45 WeakPolarHBondContact O-CA 3.35Å; R41-I45 VanDerWaalsContact O-CB 3.26Å; R41-I45 WeakPolarHBondContact O-CB 3.44Å; R41-I45 PolarHBondContact O-N 3.45Å; I45-Q47 VanDerWaalsContact C-N 3.31Å |
| 46 | E | 89.5 | Confident | 87.7 | Confident | 102 Ų | 102 | 71.3 Ų | 71.3 | 48% | 0.477 | 35% | 0.345 | S | S | . | . | S | Bend | trans | -77.6 | -19.1 | -178.3 | -63.3 | 174.1 | -164.4 | 0 | 0 | 112.6 | R41 D48 | R41-E46 HydrophobicContact CG-CG 4.41Å; R41-E46 IonicContact CZ-OE1 3.46Å; R41-E46 IonicContact NE-OE1 2.79Å; R41-E46 PolarHBondContact NE-OE1 2.7Å; R41-E46 IonicContact NH2-OE1 2.81Å; R41-E46 PolarHBondContact NH2-OE1 3.24Å; R41-E46 PolarHBondContact O-N 3.48Å; E46-D48 PolarHBondContact O-N 3.3Å |
| 47 | Q | 83.4 | Confident | 88 | Confident | 124 Ų | 124 | 64.6 Ų | 64.6 | 58% | 0.579 | 32% | 0.321 | S | S | * | . | trans | 55.5 | 36.8 | -178.9 | -58.5 | -174.9 | -6.3 | 0 | 0 | 113.1 | V42 I45 F49 | V42-Q47 PolarHBondContact O-N 3.07Å; I45-Q47 VanDerWaalsContact C-N 3.31Å; Q47-F49 VanDerWaalsContact C-N 3.28Å; Q47-F49 HydrophobicContact CB-CD2 4.49Å; Q47-F49 HydrophobicContact CB-CE2 3.89Å; Q47-F49 HydrophobicContact CB-CZ 4.28Å; Q47-F49 WeakPolarHBondContact O-CD2 3.44Å; Q47-F49 PolarHBondContact O-N 3.49Å | ||
| 48 | D | 85.7 | Confident | 88.2 | Confident | 52 Ų | 52 | 67.3 Ų | 67.3 | 28% | 0.278 | 33% | 0.332 | S | S | . | . | trans | -78.5 | 81.9 | 174.2 | -166.3 | -34.1 | 0 | 0 | 0 | 110.6 | V42 E46 I50 H51 F52 | V42-D48 HydrophobicContact CG1-CB 3.93Å; V42-D48 PolarHBondContact O-N 2.76Å; V42-D48 VanDerWaalsContact O-N 3.13Å; E46-D48 PolarHBondContact O-N 3.3Å; D48-I50 PolarHBondContact O-N 3.02Å; D48-I50 PolarHBondContact OD1-N 2.9Å; D48-H51 IonicContact OD1-CG 2.7Å; D48-H51 PolarHBondContact OD1-N 3.39Å; D48-H51 VanDerWaalsContact OD1-N 3.09Å; D48-H51 IonicContact OD1-ND1 2.62Å; D48-H51 PolarHBondContact OD1-ND1 3.46Å; D48-H51 IonicContact OD2-CE1 3.19Å; D48-H51 PolarHBondContact OD2-CE1 3Å; D48-H51 IonicContact OD2-CG 3.34Å; D48-H51 IonicContact OD2-ND1 3.01Å; D48-H51 PolarHBondContact OD2-ND1 3.32Å; D48-F52 PolarHBondContact O-N 3.46Å | ||
| 49 | F | 83.6 | Confident | 88.4 | Confident | 130 Ų | 130 | 67 Ų | 67 | 57% | 0.57 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -63.8 | -27.8 | -178.6 | -67.2 | -71.8 | 0 | 0 | 0 | 113 | Q47 V53 | Q47-F49 VanDerWaalsContact C-N 3.28Å; Q47-F49 HydrophobicContact CB-CD2 4.49Å; Q47-F49 HydrophobicContact CB-CE2 3.89Å; Q47-F49 HydrophobicContact CB-CZ 4.28Å; Q47-F49 WeakPolarHBondContact O-CD2 3.44Å; Q47-F49 PolarHBondContact O-N 3.49Å; F49-V53 VanDerWaalsContact O-CB 3.26Å; F49-V53 WeakPolarHBondContact O-CB 3.24Å; F49-V53 WeakPolarHBondContact O-CG2 3.49Å; F49-V53 PolarHBondContact O-N 3.31Å |
| 50 | I | 87.7 | Confident | 88.7 | Confident | 128 Ų | 128 | 69.7 Ų | 69.7 | 66% | 0.656 | 35% | 0.349 | S | S | * | . | H | α-helix | trans | -69.2 | -49.8 | -177.1 | -65.1 | 174 | 0 | 0 | 0 | 109.6 | D48 F52 V53 C54 | D48-I50 PolarHBondContact O-N 3.02Å; D48-I50 PolarHBondContact OD1-N 2.9Å; I50-F52 VanDerWaalsContact C-N 3.32Å; I50-F52 PolarHBondContact O-N 3.24Å; I50-V53 PolarHBondContact O-N 3.28Å; I50-C54 WeakPolarHBondContact O-CB 3.42Å; I50-C54 PolarHBondContact O-N 3.23Å; I50-C54 PolarHBondContact O-SG 3.08Å |
| 51 | H | 84.2 | Confident | 89 | Confident | 91 Ų | 91 | 70.8 Ų | 70.8 | 42% | 0.421 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -63.2 | -41.8 | 178.7 | -72.2 | 87.9 | 0 | 0 | 0 | 111.5 | D48 C54 F55 | D48-H51 IonicContact OD1-CG 2.7Å; D48-H51 PolarHBondContact OD1-N 3.39Å; D48-H51 VanDerWaalsContact OD1-N 3.09Å; D48-H51 IonicContact OD1-ND1 2.62Å; D48-H51 PolarHBondContact OD1-ND1 3.46Å; D48-H51 IonicContact OD2-CE1 3.19Å; D48-H51 PolarHBondContact OD2-CE1 3Å; D48-H51 IonicContact OD2-CG 3.34Å; D48-H51 IonicContact OD2-ND1 3.01Å; D48-H51 PolarHBondContact OD2-ND1 3.32Å; H51-C54 PolarHBondContact O-N 3.15Å; H51-F55 WeakPolarHBondContact O-CB 3.48Å; H51-F55 PolarHBondContact O-N 2.95Å |
| 52 | F | 82.7 | Confident | 89.3 | Confident | 59 Ų | 59 | 66.2 Ų | 66.2 | 26% | 0.259 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -57.7 | -53.7 | 173.7 | 176.1 | -105.2 | 0 | 0 | 0 | 111.9 | V43 D48 I50 C54 F55 F56 | V43-F52 HydrophobicContact CB-CD2 4.18Å; V43-F52 HydrophobicContact CG1-CD2 3.71Å; V43-F52 HydrophobicContact CG1-CE2 3.71Å; V43-F52 HydrophobicContact CG1-CG 4.37Å; V43-F52 HydrophobicContact CG1-CZ 4.48Å; V43-F52 HydrophobicContact CG2-CB 4.19Å; V43-F52 HydrophobicContact CG2-CD2 3.33Å; V43-F52 HydrophobicContact CG2-CE2 3.99Å; V43-F52 HydrophobicContact CG2-CG 4.11Å; D48-F52 PolarHBondContact O-N 3.46Å; I50-F52 VanDerWaalsContact C-N 3.32Å; I50-F52 PolarHBondContact O-N 3.24Å; F52-C54 VanDerWaalsContact C-N 3.31Å; F52-C54 PolarHBondContact O-N 3.45Å; F52-F55 PolarHBondContact O-N 3.2Å; F52-F56 HydrophobicContact CD1-CD2 4.43Å; F52-F56 AromaticContact CD2-CD2 3.41Å; F52-F56 HydrophobicContact CD2-CD2 3.41Å; F52-F56 VanDerWaalsContact CD2-CD2 3.41Å; F52-F56 AromaticContact CD2-CE2 3.26Å; F52-F56 HydrophobicContact CD2-CE2 3.26Å; F52-F56 HydrophobicContact CD2-CZ 4.3Å; F52-F56 HydrophobicContact CE1-CD2 4.29Å; F52-F56 AromaticContact CE2-CD2 3.31Å; F52-F56 HydrophobicContact CE2-CD2 3.31Å; F52-F56 HydrophobicContact CE2-CE1 4.46Å; F52-F56 AromaticContact CE2-CE2 2.92Å; F52-F56 HydrophobicContact CE2-CE2 2.92Å; F52-F56 HydrophobicContact CE2-CG 4.27Å; F52-F56 AromaticContact CE2-CZ 3.56Å; F52-F56 HydrophobicContact CE2-CZ 3.56Å; F52-F56 HydrophobicContact CG-CD2 4.04Å; F52-F56 HydrophobicContact CG-CE2 4.31Å; F52-F56 AromaticContact CZ-CD2 3.76Å; F52-F56 HydrophobicContact CZ-CD2 3.76Å; F52-F56 AromaticContact CZ-CE2 3.69Å; F52-F56 HydrophobicContact CZ-CE2 3.69Å; F52-F56 HydrophobicContact CZ-CG 4.32Å; F52-F56 HydrophobicContact CZ-CZ 4.11Å; F52-F56 VanDerWaalsContact O-CD2 3.32Å; F52-F56 WeakPolarHBondContact O-CD2 3.24Å; F52-F56 PolarHBondContact O-N 2.81Å |
| 53 | V | 89.2 | Confident | 89.6 | Confident | 89 Ų | 89 | 68.1 Ų | 68.1 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | -179.1 | 168.7 | 0 | 0 | 0 | 0 | 110.9 | F49 I50 A57 | F49-V53 VanDerWaalsContact O-CB 3.26Å; F49-V53 WeakPolarHBondContact O-CB 3.24Å; F49-V53 WeakPolarHBondContact O-CG2 3.49Å; F49-V53 PolarHBondContact O-N 3.31Å; I50-V53 PolarHBondContact O-N 3.28Å; V53-A57 WeakPolarHBondContact O-CB 3.49Å; V53-A57 PolarHBondContact O-N 3.46Å |
| 54 | C | 91.7 | Very high | 90.1 | Very high | 52 Ų | 52 | 72.3 Ų | 72.3 | 35% | 0.351 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -60.8 | -50 | 176.6 | -73.8 | 0 | 0 | 0 | 0 | 112 | I50 H51 F52 F56 A57 F58 W264 | I50-C54 WeakPolarHBondContact O-CB 3.42Å; I50-C54 PolarHBondContact O-N 3.23Å; I50-C54 PolarHBondContact O-SG 3.08Å; H51-C54 PolarHBondContact O-N 3.15Å; F52-C54 VanDerWaalsContact C-N 3.31Å; F52-C54 PolarHBondContact O-N 3.45Å; C54-F56 PolarHBondContact O-N 2.88Å; C54-A57 PolarHBondContact O-N 3.41Å; C54-F58 VanDerWaalsContact O-CD2 3.26Å; C54-F58 WeakPolarHBondContact O-CD2 3.36Å; C54-F58 PolarHBondContact O-N 3.14Å; C54-W264 HydrophobicContact CB-CH2 3.81Å; C54-W264 HydrophobicContact CB-CZ3 4.4Å |
| 55 | F | 89.3 | Confident | 90.4 | Very high | 1 Ų | 1 | 67.3 Ų | 67.3 | 0% | 0.004 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -59.6 | -48 | 179.8 | 173.4 | -94.4 | 0 | 0 | 0 | 111.7 | L29 H51 F52 A57 F58 L59 W264 C265 Y268 | L29-F55 HydrophobicContact CD1-CE1 3.55Å; L29-F55 HydrophobicContact CD1-CZ 3.94Å; H51-F55 WeakPolarHBondContact O-CB 3.48Å; H51-F55 PolarHBondContact O-N 2.95Å; F52-F55 PolarHBondContact O-N 3.2Å; F55-A57 VanDerWaalsContact C-N 3.34Å; F55-A57 PolarHBondContact O-N 2.93Å; F55-F58 PolarHBondContact O-N 3.35Å; F55-L59 PolarHBondContact O-N 3.44Å; F55-W264 HydrophobicContact CB-CD2 4.31Å; F55-W264 HydrophobicContact CB-CE3 4.35Å; F55-W264 HydrophobicContact CB-CH2 4.25Å; F55-W264 HydrophobicContact CB-CZ2 4.19Å; F55-W264 HydrophobicContact CB-CZ3 4.33Å; F55-W264 HydrophobicContact CD2-CB 3.96Å; F55-W264 AromaticContact CD2-CD2 3.72Å; F55-W264 HydrophobicContact CD2-CD2 3.72Å; F55-W264 HydrophobicContact CD2-CE3 4.05Å; F55-W264 AromaticContact CD2-CG 3.68Å; F55-W264 HydrophobicContact CD2-CG 3.68Å; F55-W264 HydrophobicContact CE2-CB 4.07Å; F55-W264 HydrophobicContact CE2-CG 4.22Å; F55-W264 HydrophobicContact CG-CD2 4.5Å; F55-C265 VanDerWaalsContact CZ-SG 3.58Å; F55-Y268 HydrophobicContact CD2-CE2 4.42Å |
| 56 | F | 89.9 | Confident | 90.9 | Very high | 49 Ų | 49 | 62 Ų | 62 | 22% | 0.215 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -69.2 | -30.4 | 178.5 | -83 | -92.6 | 0 | 0 | 0 | 112.9 | L29 L33 F52 C54 S60 | L29-F56 HydrophobicContact CD1-CZ 4.28Å; L29-F56 HydrophobicContact CD2-CE1 4.01Å; L29-F56 HydrophobicContact CD2-CZ 4.29Å; L33-F56 HydrophobicContact CD1-CZ 3.88Å; L33-F56 HydrophobicContact CD2-CE2 4.41Å; L33-F56 HydrophobicContact CD2-CZ 4.1Å; F52-F56 HydrophobicContact CD1-CD2 4.43Å; F52-F56 AromaticContact CD2-CD2 3.41Å; F52-F56 HydrophobicContact CD2-CD2 3.41Å; F52-F56 VanDerWaalsContact CD2-CD2 3.41Å; F52-F56 AromaticContact CD2-CE2 3.26Å; F52-F56 HydrophobicContact CD2-CE2 3.26Å; F52-F56 HydrophobicContact CD2-CZ 4.3Å; F52-F56 HydrophobicContact CE1-CD2 4.29Å; F52-F56 AromaticContact CE2-CD2 3.31Å; F52-F56 HydrophobicContact CE2-CD2 3.31Å; F52-F56 HydrophobicContact CE2-CE1 4.46Å; F52-F56 AromaticContact CE2-CE2 2.92Å; F52-F56 HydrophobicContact CE2-CE2 2.92Å; F52-F56 HydrophobicContact CE2-CG 4.27Å; F52-F56 AromaticContact CE2-CZ 3.56Å; F52-F56 HydrophobicContact CE2-CZ 3.56Å; F52-F56 HydrophobicContact CG-CD2 4.04Å; F52-F56 HydrophobicContact CG-CE2 4.31Å; F52-F56 AromaticContact CZ-CD2 3.76Å; F52-F56 HydrophobicContact CZ-CD2 3.76Å; F52-F56 AromaticContact CZ-CE2 3.69Å; F52-F56 HydrophobicContact CZ-CE2 3.69Å; F52-F56 HydrophobicContact CZ-CG 4.32Å; F52-F56 HydrophobicContact CZ-CZ 4.11Å; F52-F56 VanDerWaalsContact O-CD2 3.32Å; F52-F56 WeakPolarHBondContact O-CD2 3.24Å; F52-F56 PolarHBondContact O-N 2.81Å; C54-F56 PolarHBondContact O-N 2.88Å; F56-S60 WeakPolarHBondContact O-CB 3.22Å; F56-S60 PolarHBondContact O-N 3.28Å; F56-S60 PolarHBondContact O-OG 3.25Å |
| 57 | A | 93.4 | Very high | 91 | Very high | 43 Ų | 43 | 58.4 Ų | 58.4 | 36% | 0.355 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -63.9 | -48.7 | 172.5 | 0 | 0 | 0 | 0 | 0 | 111 | V53 C54 F55 L59 S60 I61 | V53-A57 WeakPolarHBondContact O-CB 3.49Å; V53-A57 PolarHBondContact O-N 3.46Å; C54-A57 PolarHBondContact O-N 3.41Å; F55-A57 VanDerWaalsContact C-N 3.34Å; F55-A57 PolarHBondContact O-N 2.93Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.07Å; A57-S60 PolarHBondContact O-N 3.42Å; A57-I61 WeakPolarHBondContact O-CB 3.38Å; A57-I61 VanDerWaalsContact O-CG1 3.22Å; A57-I61 WeakPolarHBondContact O-CG1 3.33Å; A57-I61 PolarHBondContact O-N 3.44Å |
| 58 | F | 93.7 | Very high | 91.5 | Very high | 63 Ų | 63 | 56.2 Ų | 56.2 | 28% | 0.276 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60 | -44.2 | 176 | -84.1 | -72.7 | 0 | 0 | 0 | 112.2 | C54 F55 S60 I61 S62 F256 C257 I260 W264 | C54-F58 VanDerWaalsContact O-CD2 3.26Å; C54-F58 WeakPolarHBondContact O-CD2 3.36Å; C54-F58 PolarHBondContact O-N 3.14Å; F55-F58 PolarHBondContact O-N 3.35Å; F58-S60 PolarHBondContact O-N 3.5Å; F58-I61 PolarHBondContact O-N 3.38Å; F58-S62 WeakPolarHBondContact O-CB 3.03Å; F58-S62 PolarHBondContact O-N 3.02Å; F58-F256 HydrophobicContact CE1-CE1 4.26Å; F58-C257 HydrophobicContact CD1-CB 4.35Å; F58-I260 HydrophobicContact CB-CG2 4.47Å; F58-I260 HydrophobicContact CD1-CB 4.4Å; F58-I260 HydrophobicContact CD1-CD1 3.99Å; F58-I260 HydrophobicContact CD1-CG2 4.15Å; F58-I260 HydrophobicContact CD2-CG2 4.2Å; F58-I260 HydrophobicContact CE1-CD1 3.54Å; F58-I260 HydrophobicContact CE1-CG2 4.48Å; F58-I260 HydrophobicContact CG-CG2 4.02Å; F58-I260 HydrophobicContact CZ-CD1 4.03Å; F58-W264 HydrophobicContact CD2-CZ3 4.08Å; F58-W264 HydrophobicContact CE2-CZ3 4.48Å |
| 59 | L | 92.8 | Very high | 92 | Very high | 14 Ų | 14 | 53.7 Ų | 53.7 | 7% | 0.073 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -63.3 | -42.5 | 177 | -177.3 | 66.1 | 0 | 0 | 0 | 111.9 | L29 F55 A57 S62 F63 | L29-L59 HydrophobicContact CD2-CD2 3.42Å; L29-L59 VanDerWaalsContact CD2-CD2 3.42Å; F55-L59 PolarHBondContact O-N 3.44Å; A57-L59 VanDerWaalsContact C-N 3.35Å; A57-L59 PolarHBondContact O-N 3.07Å; L59-S62 WeakPolarHBondContact O-CB 3.21Å; L59-S62 PolarHBondContact O-N 2.69Å; L59-F63 HydrophobicContact CD1-CD2 4.4Å; L59-F63 HydrophobicContact CD1-CE1 4.44Å; L59-F63 HydrophobicContact CD1-CE2 3.82Å; L59-F63 HydrophobicContact CD1-CZ 3.85Å; L59-F63 HydrophobicContact CD2-CE2 4.01Å; L59-F63 HydrophobicContact CG-CD2 4.11Å; L59-F63 HydrophobicContact CG-CE2 3.67Å; L59-F63 HydrophobicContact CG-CZ 4.22Å; L59-F63 PolarHBondContact O-N 2.91Å |
| 60 | S | 94.7 | Very high | 92.4 | Very high | 56 Ų | 56 | 47.8 Ų | 47.8 | 39% | 0.392 | 26% | 0.263 | S | S | . | . | H | α-helix | trans | -64.5 | -44.9 | 178.2 | -60.9 | 0 | 0 | 0 | 0 | 111.5 | F56 A57 F58 S62 F63 I64 | F56-S60 WeakPolarHBondContact O-CB 3.22Å; F56-S60 PolarHBondContact O-N 3.28Å; F56-S60 PolarHBondContact O-OG 3.25Å; A57-S60 PolarHBondContact O-N 3.42Å; F58-S60 PolarHBondContact O-N 3.5Å; S60-S62 VanDerWaalsContact C-N 3.28Å; S60-S62 PolarHBondContact O-N 3.26Å; S60-F63 PolarHBondContact O-N 2.85Å; S60-I64 WeakPolarHBondContact O-CB 3.5Å; S60-I64 WeakPolarHBondContact O-CD1 3.26Å; S60-I64 VanDerWaalsContact O-CG1 3.24Å; S60-I64 WeakPolarHBondContact O-CG1 3.49Å; S60-I64 PolarHBondContact O-N 2.96Å |
| 61 | I | 96.5 | Very high | 92.6 | Very high | 72 Ų | 72 | 46.3 Ų | 46.3 | 37% | 0.369 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -61.3 | -40.7 | 175 | -65.1 | 164.6 | 0 | 0 | 0 | 110.1 | A57 F58 I64 T65 V253 C257 | A57-I61 WeakPolarHBondContact O-CB 3.38Å; A57-I61 VanDerWaalsContact O-CG1 3.22Å; A57-I61 WeakPolarHBondContact O-CG1 3.33Å; A57-I61 PolarHBondContact O-N 3.44Å; F58-I61 PolarHBondContact O-N 3.38Å; I61-I64 PolarHBondContact O-N 3.31Å; I61-T65 HydrophobicContact CG2-CG2 4.18Å; I61-T65 WeakPolarHBondContact O-CB 3.28Å; I61-T65 WeakPolarHBondContact O-CG2 3.28Å; I61-T65 PolarHBondContact O-N 2.87Å; I61-T65 PolarHBondContact O-OG1 3.01Å; I61-V253 HydrophobicContact CG2-CG1 4.1Å; I61-C257 HydrophobicContact CG2-CB 4.45Å; I61-C257 WeakPolarHBondContact CG2-SG 3.45Å |
| 62 | S | 96.2 | Very high | 92.9 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58.9 | -49.1 | 175.3 | -173.4 | 0 | 0 | 0 | 0 | 111.6 | F58 L59 S60 T65 Y66 Q258 | F58-S62 WeakPolarHBondContact O-CB 3.03Å; F58-S62 PolarHBondContact O-N 3.02Å; L59-S62 WeakPolarHBondContact O-CB 3.21Å; L59-S62 PolarHBondContact O-N 2.69Å; S60-S62 VanDerWaalsContact C-N 3.28Å; S60-S62 PolarHBondContact O-N 3.26Å; S62-T65 PolarHBondContact O-N 3.36Å; S62-T65 PolarHBondContact O-OG1 3.47Å; S62-T65 VanDerWaalsContact O-OG1 3.13Å; S62-Y66 WeakPolarHBondContact O-CB 3.37Å; S62-Y66 PolarHBondContact O-N 3.47Å; S62-Q258 WeakPolarHBondContact OG-CB 3.32Å; S62-Q258 PolarHBondContact OG-OE1 2.78Å |
| 63 | F | 95.2 | Very high | 93.5 | Very high | 52 Ų | 52 | 44.7 Ų | 44.7 | 23% | 0.228 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -64.7 | -41.5 | 177.2 | -71.1 | -39.4 | 0 | 0 | 0 | 113.4 | I22 C25 L59 S60 Y66 G67 | I22-F63 HydrophobicContact CG1-CD1 4.44Å; I22-F63 HydrophobicContact CG1-CE1 4.42Å; C25-F63 HydrophobicContact CB-CE1 3.63Å; C25-F63 HydrophobicContact CB-CZ 3.53Å; L59-F63 HydrophobicContact CD1-CD2 4.4Å; L59-F63 HydrophobicContact CD1-CE1 4.44Å; L59-F63 HydrophobicContact CD1-CE2 3.82Å; L59-F63 HydrophobicContact CD1-CZ 3.85Å; L59-F63 HydrophobicContact CD2-CE2 4.01Å; L59-F63 HydrophobicContact CG-CD2 4.11Å; L59-F63 HydrophobicContact CG-CE2 3.67Å; L59-F63 HydrophobicContact CG-CZ 4.22Å; L59-F63 PolarHBondContact O-N 2.91Å; S60-F63 PolarHBondContact O-N 2.85Å; F63-Y66 PolarHBondContact O-N 2.92Å; F63-G67 PolarHBondContact O-N 3.26Å |
| 64 | I | 95.8 | Very high | 93.7 | Very high | 105 Ų | 105 | 40.5 Ų | 40.5 | 54% | 0.538 | 23% | 0.233 | S | C | . | . | H | α-helix | trans | -60.8 | -52.3 | 177 | -69.1 | 164.1 | 0 | 0 | 0 | 109.4 | S60 I61 Y66 G67 L68 | S60-I64 WeakPolarHBondContact O-CB 3.5Å; S60-I64 WeakPolarHBondContact O-CD1 3.26Å; S60-I64 VanDerWaalsContact O-CG1 3.24Å; S60-I64 WeakPolarHBondContact O-CG1 3.49Å; S60-I64 PolarHBondContact O-N 2.96Å; I61-I64 PolarHBondContact O-N 3.31Å; I64-Y66 VanDerWaalsContact C-N 3.34Å; I64-Y66 PolarHBondContact O-N 3.1Å; I64-G67 PolarHBondContact O-N 3.36Å; I64-L68 HydrophobicContact CG2-CD1 4Å; I64-L68 HydrophobicContact CG2-CG 4.27Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 3.14Å |
| 65 | T | 96.4 | Very high | 93.8 | Very high | 13 Ų | 13 | 38 Ų | 38 | 8% | 0.08 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -68.5 | -31.8 | -177.8 | 52.3 | 0 | 0 | 0 | 0 | 113 | I61 S62 T69 V253 F254 | I61-T65 HydrophobicContact CG2-CG2 4.18Å; I61-T65 WeakPolarHBondContact O-CB 3.28Å; I61-T65 WeakPolarHBondContact O-CG2 3.28Å; I61-T65 PolarHBondContact O-N 2.87Å; I61-T65 PolarHBondContact O-OG1 3.01Å; S62-T65 PolarHBondContact O-N 3.36Å; S62-T65 PolarHBondContact O-OG1 3.47Å; S62-T65 VanDerWaalsContact O-OG1 3.13Å; T65-T69 VanDerWaalsContact O-CB 3.31Å; T65-T69 WeakPolarHBondContact O-CB 3.3Å; T65-T69 PolarHBondContact O-N 3.39Å; T65-T69 PolarHBondContact O-OG1 3.2Å; T65-V253 HydrophobicContact CG2-CB 4.12Å; T65-V253 HydrophobicContact CG2-CG1 3.78Å; T65-F254 WeakPolarHBondContact OG1-CA 3.28Å; T65-F254 WeakPolarHBondContact OG1-CB 3.37Å; T65-F254 PolarHBondContact OG1-N 3.26Å |
| 66 | Y | 96.3 | Very high | 94.1 | Very high | 6 Ų | 6 | 39.5 Ų | 39.5 | 2% | 0.024 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -61 | -48.4 | 168.7 | -178.5 | -107.8 | 0 | 0 | 0 | 111.5 | P18 H21 S62 F63 I64 T69 S70 W238 V239 F254 | P18-Y66 WeakPolarHBondContact CA-OH 3.5Å; P18-Y66 HydrophobicContact CB-CE1 3.77Å; P18-Y66 HydrophobicContact CG-CE1 4.35Å; H21-Y66 HydrophobicContact CB-CE1 3.99Å; H21-Y66 HydrophobicContact CB-CE2 4.43Å; H21-Y66 AromaticContact CD2-CD1 3.89Å; H21-Y66 AromaticContact CD2-CE1 3.81Å; H21-Y66 AromaticContact CD2-CZ 3.9Å; H21-Y66 AromaticContact CG-CZ 3.84Å; S62-Y66 WeakPolarHBondContact O-CB 3.37Å; S62-Y66 PolarHBondContact O-N 3.47Å; F63-Y66 PolarHBondContact O-N 2.92Å; I64-Y66 VanDerWaalsContact C-N 3.34Å; I64-Y66 PolarHBondContact O-N 3.1Å; Y66-T69 PolarHBondContact O-N 2.8Å; Y66-S70 WeakPolarHBondContact O-CB 3.35Å; Y66-S70 PolarHBondContact O-N 2.91Å; Y66-S70 PolarHBondContact O-OG 3.33Å; Y66-W238 WeakPolarHBondContact CE2-O 3.14Å; Y66-W238 PolarHBondContact OH-O 3.29Å; Y66-V239 HydrophobicContact CD2-CG1 4.24Å; Y66-V239 HydrophobicContact CE2-CB 4.4Å; Y66-V239 HydrophobicContact CE2-CG1 3.9Å; Y66-F254 HydrophobicContact CD2-CD1 4.26Å; Y66-F254 HydrophobicContact CD2-CD2 4.02Å; Y66-F254 AromaticContact CD2-CE1 3.82Å; Y66-F254 HydrophobicContact CD2-CE1 3.82Å; Y66-F254 AromaticContact CD2-CE2 3.57Å; Y66-F254 HydrophobicContact CD2-CE2 3.57Å; Y66-F254 HydrophobicContact CD2-CG 4.35Å; Y66-F254 AromaticContact CD2-CZ 3.46Å; Y66-F254 HydrophobicContact CD2-CZ 3.46Å; Y66-F254 VanDerWaalsContact CD2-CZ 3.46Å; Y66-F254 HydrophobicContact CE2-CE1 4.38Å; Y66-F254 HydrophobicContact CE2-CZ 4.04Å; Y66-F254 HydrophobicContact CG-CD2 4.29Å; Y66-F254 HydrophobicContact CG-CE2 4.05Å; Y66-F254 HydrophobicContact CG-CZ 4.37Å |
| 67 | G | 93.5 | Very high | 94.3 | Very high | 28 Ų | 28 | 37.8 Ų | 37.8 | 29% | 0.289 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -61.8 | -46 | 176 | 0 | 0 | 0 | 0 | 0 | 112.5 | F63 I64 T69 S70 C71 | F63-G67 PolarHBondContact O-N 3.26Å; I64-G67 PolarHBondContact O-N 3.36Å; G67-T69 PolarHBondContact O-N 3.4Å; G67-S70 PolarHBondContact O-N 3.13Å; G67-C71 WeakPolarHBondContact O-CB 3.28Å; G67-C71 PolarHBondContact O-N 3.34Å; G67-C71 PolarHBondContact O-SG 3.47Å |
| 68 | L | 93.7 | Very high | 94.2 | Very high | 77 Ų | 77 | 38.5 Ų | 38.5 | 40% | 0.403 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -58.7 | -47 | 175.1 | -66.7 | 176.7 | 0 | 0 | 0 | 110.8 | I64 S70 C71 I72 A250 | I64-L68 HydrophobicContact CG2-CD1 4Å; I64-L68 HydrophobicContact CG2-CG 4.27Å; I64-L68 VanDerWaalsContact O-CG 3.29Å; I64-L68 WeakPolarHBondContact O-CG 3.44Å; I64-L68 PolarHBondContact O-N 3.14Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-S70 PolarHBondContact O-N 3.27Å; L68-C71 PolarHBondContact O-N 3.47Å; L68-I72 HydrophobicContact CB-CD1 3.85Å; L68-I72 HydrophobicContact CB-CG1 4.49Å; L68-I72 HydrophobicContact CD2-CD1 3.83Å; L68-I72 HydrophobicContact CD2-CG1 4.48Å; L68-I72 HydrophobicContact CG-CD1 4.35Å; L68-I72 WeakPolarHBondContact O-CB 3.16Å; L68-I72 WeakPolarHBondContact O-CG1 3.21Å; L68-I72 PolarHBondContact O-N 2.99Å; L68-A250 HydrophobicContact CB-CB 4.39Å |
| 69 | T | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 37.7 Ų | 37.7 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -62.5 | -41.9 | 179.6 | -57.3 | 0 | 0 | 0 | 0 | 112.2 | T65 Y66 G67 V239 N241 I243 N247 A250 F251 | T65-T69 VanDerWaalsContact O-CB 3.31Å; T65-T69 WeakPolarHBondContact O-CB 3.3Å; T65-T69 PolarHBondContact O-N 3.39Å; T65-T69 PolarHBondContact O-OG1 3.2Å; Y66-T69 PolarHBondContact O-N 2.8Å; G67-T69 PolarHBondContact O-N 3.4Å; T69-V239 HydrophobicContact CG2-CB 4.32Å; T69-V239 HydrophobicContact CG2-CG1 4.1Å; T69-V239 HydrophobicContact CG2-CG2 4.28Å; T69-N241 PolarHBondContact O-ND2 3.49Å; T69-N241 VanDerWaalsContact O-ND2 3.17Å; T69-I243 HydrophobicContact CG2-CD1 3.44Å; T69-I243 VanDerWaalsContact CG2-CD1 3.44Å; T69-N247 PolarHBondContact O-ND2 2.83Å; T69-N247 VanDerWaalsContact O-ND2 3.08Å; T69-A250 VanDerWaalsContact OG1-C 3.26Å; T69-F251 HydrophobicContact CG2-CB 3.78Å; T69-F251 HydrophobicContact CG2-CD2 4.04Å; T69-F251 HydrophobicContact CG2-CG 4.37Å; T69-F251 WeakPolarHBondContact OG1-CA 3.29Å; T69-F251 PolarHBondContact OG1-N 2.92Å |
| 70 | S | 93.4 | Very high | 93.9 | Very high | 6 Ų | 6 | 43.7 Ų | 43.7 | 4% | 0.042 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -73.1 | -34.5 | -177.8 | -55.1 | 0 | 0 | 0 | 0 | 112.7 | Y66 G67 L68 V239 N241 | Y66-S70 WeakPolarHBondContact O-CB 3.35Å; Y66-S70 PolarHBondContact O-N 2.91Å; Y66-S70 PolarHBondContact O-OG 3.33Å; G67-S70 PolarHBondContact O-N 3.13Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-S70 PolarHBondContact O-N 3.27Å; S70-V239 WeakPolarHBondContact CA-O 3.3Å; S70-V239 VanDerWaalsContact CB-O 3.23Å; S70-V239 WeakPolarHBondContact CB-O 3.36Å; S70-V239 PolarHBondContact OG-O 3.49Å; S70-N241 PolarHBondContact O-ND2 2.97Å |
| 71 | C | 91.4 | Very high | 93.6 | Very high | 96 Ų | 96 | 42.8 Ų | 42.8 | 65% | 0.649 | 24% | 0.237 | S | C | * | . | H | α-helix | trans | -103.6 | -28.4 | -170 | -64.9 | 0 | 0 | 0 | 0 | 114.7 | G67 L68 | G67-C71 WeakPolarHBondContact O-CB 3.28Å; G67-C71 PolarHBondContact O-N 3.34Å; G67-C71 PolarHBondContact O-SG 3.47Å; L68-C71 PolarHBondContact O-N 3.47Å |
| 72 | I | 91.1 | Very high | 93.2 | Very high | 62 Ų | 62 | 39.6 Ų | 39.6 | 32% | 0.318 | 22% | 0.222 | S | C | . | . | S | Bend | trans | -70.2 | 143.4 | -179.2 | -69.9 | 177.2 | 0 | 0 | 0 | 110.6 | L68 P74 N241 | L68-I72 HydrophobicContact CB-CD1 3.85Å; L68-I72 HydrophobicContact CB-CG1 4.49Å; L68-I72 HydrophobicContact CD2-CD1 3.83Å; L68-I72 HydrophobicContact CD2-CG1 4.48Å; L68-I72 HydrophobicContact CG-CD1 4.35Å; L68-I72 WeakPolarHBondContact O-CB 3.16Å; L68-I72 WeakPolarHBondContact O-CG1 3.21Å; L68-I72 PolarHBondContact O-N 2.99Å; I72-P74 WeakPolarHBondContact O-CD 3.13Å; I72-P74 VanDerWaalsContact O-N 3.16Å; I72-N241 PolarHBondContact O-ND2 3.35Å |
| 73 | D | 93.3 | Very high | 92.7 | Very high | 55 Ų | 55 | 45.9 Ų | 45.9 | 29% | 0.294 | 25% | 0.246 | S | C | . | . | trans | -58 | 114.7 | 166.3 | 178.7 | -16.4 | 0 | 0 | 0 | 109.3 | G75 Y76 R246 | D73-G75 PolarHBondContact O-N 3.19Å; D73-G75 WeakPolarHBondContact OD1-CA 3.43Å; D73-G75 PolarHBondContact OD1-N 2.63Å; D73-Y76 WeakPolarHBondContact OD1-CD2 3.26Å; D73-Y76 PolarHBondContact OD1-N 3.43Å; D73-R246 WeakPolarHBondContact O-CB 3.42Å | ||
| 74 | P | 94.4 | Very high | 92.1 | Very high | 0 Ų | 0 | 47.9 Ų | 47.9 | 0% | 0 | 25% | 0.252 | C | S | . | . | trans | -66.5 | -4.9 | -175.5 | 29.6 | -36.3 | 0 | 0 | 0 | 113.7 | I72 Y76 V229 C242 G244 E245 R246 N247 | I72-P74 WeakPolarHBondContact O-CD 3.13Å; I72-P74 VanDerWaalsContact O-N 3.16Å; P74-Y76 HydrophobicContact CG-CD1 4.2Å; P74-Y76 HydrophobicContact CG-CD2 4.41Å; P74-Y76 HydrophobicContact CG-CE1 3.78Å; P74-Y76 HydrophobicContact CG-CE2 4.04Å; P74-Y76 HydrophobicContact CG-CG 4.49Å; P74-V229 HydrophobicContact CB-CG1 4.24Å; P74-V229 HydrophobicContact CG-CG1 4.29Å; P74-C242 HydrophobicContact CB-CB 4.32Å; P74-C242 VanDerWaalsContact CB-O 3.22Å; P74-C242 WeakPolarHBondContact CB-O 3.32Å; P74-C242 HydrophobicContact CG-CB 3.93Å; P74-G244 CarbonylContact O-C 3.46Å; P74-G244 WeakPolarHBondContact O-CA 3.02Å; P74-E245 PolarHBondContact O-N 3.38Å; P74-R246 PolarHBondContact O-N 3.22Å; P74-N247 WeakPolarHBondContact CB-OD1 3.29Å | ||
| 75 | G | 93.5 | Very high | 91.3 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 23% | 0.229 | C | C | . | . | trans | 112.1 | 42.9 | -173.5 | 0 | 0 | 0 | 0 | 0 | 111.3 | D73 L77 L230 | D73-G75 PolarHBondContact O-N 3.19Å; D73-G75 WeakPolarHBondContact OD1-CA 3.43Å; D73-G75 PolarHBondContact OD1-N 2.63Å; G75-L77 PolarHBondContact O-N 3.35Å; G75-L230 VanDerWaalsContact O-CB 3.24Å; G75-L230 WeakPolarHBondContact O-CB 3.22Å; G75-L230 VanDerWaalsContact O-CG 3.22Å; G75-L230 WeakPolarHBondContact O-CG 3.19Å; G75-L230 PolarHBondContact O-N 3.34Å | ||
| 76 | Y | 95.3 | Very high | 90.4 | Very high | 32 Ų | 32 | 48.3 Ų | 48.3 | 13% | 0.125 | 25% | 0.245 | C | C | . | . | B | Isolated β-bridge | trans | -56.6 | 136.6 | 174.5 | -65.5 | -53 | 0 | 0 | 0 | 110.8 | D73 P74 T78 K81 C225 R227 C228 V229 N241 | D73-Y76 WeakPolarHBondContact OD1-CD2 3.26Å; D73-Y76 PolarHBondContact OD1-N 3.43Å; P74-Y76 HydrophobicContact CG-CD1 4.2Å; P74-Y76 HydrophobicContact CG-CD2 4.41Å; P74-Y76 HydrophobicContact CG-CE1 3.78Å; P74-Y76 HydrophobicContact CG-CE2 4.04Å; P74-Y76 HydrophobicContact CG-CG 4.49Å; Y76-T78 PolarHBondContact O-N 3.44Å; Y76-K81 PolarHBondContact O-NZ 2.79Å; Y76-C225 HydrophobicContact CE1-CB 3.89Å; Y76-C225 PolarHBondContact OH-SG 3.39Å; Y76-R227 HydrophobicContact CD1-CB 3.46Å; Y76-R227 VanDerWaalsContact CD1-CB 3.46Å; Y76-R227 HydrophobicContact CD1-CG 4.25Å; Y76-R227 HydrophobicContact CE1-CB 3.74Å; Y76-R227 HydrophobicContact CE1-CG 4.43Å; Y76-R227 HydrophobicContact CG-CB 4.16Å; Y76-C228 CarbonylContact C-O 3.59Å; Y76-C228 VanDerWaalsContact CA-O 3.29Å; Y76-C228 WeakPolarHBondContact CA-O 3.24Å; Y76-V229 HydrophobicContact CD1-CG2 3.79Å; Y76-V229 HydrophobicContact CE1-CG2 3.74Å; Y76-N241 PolarHBondContact OH-OD1 2.93Å |
| 77 | L | 94.3 | Very high | 89.3 | Confident | 13 Ų | 13 | 53.6 Ų | 53.6 | 7% | 0.068 | 27% | 0.27 | C | S | . | . | trans | -77.8 | 114.3 | 176 | -179.5 | 71.6 | 0 | 0 | 0 | 108.8 | G75 K81 A82 F85 L213 E214 P216 C228 L230 | G75-L77 PolarHBondContact O-N 3.35Å; L77-K81 HydrophobicContact CD1-CB 3.9Å; L77-A82 HydrophobicContact CD1-CB 4.1Å; L77-A82 HydrophobicContact CD2-CB 4.18Å; L77-A82 HydrophobicContact CG-CB 4.16Å; L77-F85 HydrophobicContact CD1-CD2 4.11Å; L77-F85 HydrophobicContact CD1-CE2 4.1Å; L77-L213 HydrophobicContact CD2-CB 4.02Å; L77-L213 HydrophobicContact CD2-CD1 4.08Å; L77-L213 HydrophobicContact CG-CD1 4.08Å; L77-E214 WeakPolarHBondContact CD2-O 3.49Å; L77-P216 HydrophobicContact CD1-CG 4.42Å; L77-C228 HydrophobicContact CB-CB 3.78Å; L77-C228 HydrophobicContact CD2-CB 4.02Å; L77-C228 PolarHBondContact N-O 3.46Å; L77-L230 HydrophobicContact CB-CD2 4.5Å; L77-L230 HydrophobicContact CB-CG 4.48Å; L77-L230 HydrophobicContact CD1-CD2 3.87Å; L77-L230 HydrophobicContact CD1-CG 4.49Å | ||
| 78 | T | 92.4 | Very high | 88.1 | Confident | 59 Ų | 59 | 57.1 Ų | 57.1 | 36% | 0.362 | 28% | 0.275 | S | S | . | . | trans | -89 | 161.8 | 172.4 | 65.3 | 0 | 0 | 0 | 0 | 110.3 | Y76 E80 K81 A82 | Y76-T78 PolarHBondContact O-N 3.44Å; T78-E80 PolarHBondContact O-N 3.33Å; T78-K81 PolarHBondContact O-N 3.48Å; T78-K81 WeakPolarHBondContact OG1-CG 3.29Å; T78-K81 PolarHBondContact OG1-N 3.46Å; T78-A82 WeakPolarHBondContact O-CB 3.28Å; T78-A82 PolarHBondContact O-N 2.96Å | ||
| 79 | A | 89.9 | Confident | 86.6 | Confident | 46 Ų | 46 | 55 Ų | 55 | 38% | 0.38 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -58.8 | -36 | 174.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | A82 R83 L213 | A79-A82 PolarHBondContact O-N 3.43Å; A79-R83 WeakPolarHBondContact O-CB 3.41Å; A79-R83 WeakPolarHBondContact O-CG 3.18Å; A79-R83 PolarHBondContact O-N 2.9Å; A79-L213 HydrophobicContact CB-CD2 3.97Å |
| 80 | E | 89.2 | Confident | 84.4 | Confident | 140 Ų | 140 | 56.1 Ų | 56.1 | 65% | 0.654 | 27% | 0.273 | S | S | * | . | H | α-helix | trans | -62.2 | -50.2 | 174.3 | -174.9 | -173.4 | 174.4 | 0 | 0 | 112.1 | T78 A82 R83 W84 | T78-E80 PolarHBondContact O-N 3.33Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.18Å; E80-R83 PolarHBondContact O-N 3.48Å; E80-W84 WeakPolarHBondContact O-CB 3.37Å; E80-W84 PolarHBondContact O-N 2.89Å |
| 81 | K | 89.6 | Confident | 82 | Confident | 36 Ų | 36 | 61.8 Ų | 61.8 | 16% | 0.157 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -60.8 | -43.7 | 176.4 | -71.2 | 178.4 | -173.4 | 174.1 | 0 | 111.4 | Y76 L77 T78 W84 F85 L230 | Y76-K81 PolarHBondContact O-NZ 2.79Å; L77-K81 HydrophobicContact CD1-CB 3.9Å; T78-K81 PolarHBondContact O-N 3.48Å; T78-K81 WeakPolarHBondContact OG1-CG 3.29Å; T78-K81 PolarHBondContact OG1-N 3.46Å; K81-W84 WeakPolarHBondContact O-CB 3.37Å; K81-W84 PolarHBondContact O-N 3.36Å; K81-F85 HydrophobicContact CB-CE2 4.32Å; K81-F85 WeakPolarHBondContact O-CD2 3.39Å; K81-F85 PolarHBondContact O-N 2.93Å; K81-L230 HydrophobicContact CD-CD1 4.03Å |
| 82 | A | 87.9 | Confident | 79.6 | Confident | 6 Ų | 6 | 58.6 Ų | 58.6 | 5% | 0.05 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -60.7 | -45.6 | 177.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | L77 T78 A79 E80 W84 F85 R86 L213 | L77-A82 HydrophobicContact CD1-CB 4.1Å; L77-A82 HydrophobicContact CD2-CB 4.18Å; L77-A82 HydrophobicContact CG-CB 4.16Å; T78-A82 WeakPolarHBondContact O-CB 3.28Å; T78-A82 PolarHBondContact O-N 2.96Å; A79-A82 PolarHBondContact O-N 3.43Å; E80-A82 VanDerWaalsContact C-N 3.34Å; E80-A82 PolarHBondContact O-N 3.18Å; A82-W84 VanDerWaalsContact C-N 3.29Å; A82-W84 PolarHBondContact O-N 3.45Å; A82-F85 PolarHBondContact O-N 3.46Å; A82-R86 PolarHBondContact O-N 2.83Å; A82-L213 HydrophobicContact CB-CB 4.08Å; A82-L213 HydrophobicContact CB-CD1 4.42Å; A82-L213 HydrophobicContact CB-CD2 3.9Å; A82-L213 HydrophobicContact CB-CG 4.35Å |
| 83 | R | 84.6 | Confident | 76.8 | Confident | 132 Ų | 132 | 59.3 Ų | 59.3 | 50% | 0.498 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -59.1 | -42.2 | 174.1 | -77.5 | -169.7 | -60.1 | -95.3 | 3.7 | 111.7 | A79 E80 R86 H87 | A79-R83 WeakPolarHBondContact O-CB 3.41Å; A79-R83 WeakPolarHBondContact O-CG 3.18Å; A79-R83 PolarHBondContact O-N 2.9Å; E80-R83 PolarHBondContact O-N 3.48Å; R83-R86 WeakPolarHBondContact O-CB 3.33Å; R83-R86 PolarHBondContact O-N 3.44Å; R83-H87 PolarHBondContact O-CD2 3.3Å; R83-H87 PolarHBondContact O-N 2.96Å |
| 84 | W | 82.3 | Confident | 73.9 | Confident | 93 Ų | 93 | 63.6 Ų | 63.6 | 35% | 0.352 | 31% | 0.307 | S | S | . | . | H | α-helix | trans | -63.6 | -42.9 | 178.8 | -178.1 | 96.8 | 0 | 0 | 0 | 112.1 | E80 K81 A82 R86 H87 R88 Y360 | E80-W84 WeakPolarHBondContact O-CB 3.37Å; E80-W84 PolarHBondContact O-N 2.89Å; K81-W84 WeakPolarHBondContact O-CB 3.37Å; K81-W84 PolarHBondContact O-N 3.36Å; A82-W84 VanDerWaalsContact C-N 3.29Å; A82-W84 PolarHBondContact O-N 3.45Å; W84-R86 VanDerWaalsContact C-N 3.32Å; W84-R86 PolarHBondContact O-N 2.87Å; W84-H87 PolarHBondContact O-N 2.9Å; W84-R88 PolarHBondContact O-N 3.37Å; W84-R88 VanDerWaalsContact O-N 3.07Å; W84-Y360 AromaticContact CE3-CD1 3.93Å; W84-Y360 HydrophobicContact CE3-CD1 3.93Å; W84-Y360 HydrophobicContact CE3-CE1 4.08Å; W84-Y360 AromaticContact CH2-CD1 3.24Å; W84-Y360 HydrophobicContact CH2-CD1 3.24Å; W84-Y360 HydrophobicContact CH2-CD2 4.15Å; W84-Y360 AromaticContact CH2-CE1 3.99Å; W84-Y360 HydrophobicContact CH2-CE1 3.99Å; W84-Y360 AromaticContact CH2-CG 3.35Å; W84-Y360 HydrophobicContact CH2-CG 3.35Å; W84-Y360 HydrophobicContact CZ2-CD1 4.19Å; W84-Y360 HydrophobicContact CZ2-CG 4.17Å; W84-Y360 AromaticContact CZ3-CD1 3.15Å; W84-Y360 HydrophobicContact CZ3-CD1 3.15Å; W84-Y360 AromaticContact CZ3-CE1 3.76Å; W84-Y360 HydrophobicContact CZ3-CE1 3.76Å; W84-Y360 AromaticContact CZ3-CG 3.8Å; W84-Y360 HydrophobicContact CZ3-CG 3.8Å |
| 85 | F | 80 | Confident | 71 | Confident | 14 Ų | 14 | 69 Ų | 69 | 6% | 0.061 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -62.6 | -40.7 | 173.8 | -74.3 | -66.8 | 0 | 0 | 0 | 111.6 | L77 K81 A82 R88 R89 P216 L230 P359 Y360 | L77-F85 HydrophobicContact CD1-CD2 4.11Å; L77-F85 HydrophobicContact CD1-CE2 4.1Å; K81-F85 HydrophobicContact CB-CE2 4.32Å; K81-F85 WeakPolarHBondContact O-CD2 3.39Å; K81-F85 PolarHBondContact O-N 2.93Å; A82-F85 PolarHBondContact O-N 3.46Å; F85-R88 PolarHBondContact O-N 3.46Å; F85-R89 PolarHBondContact O-N 3.32Å; F85-P216 HydrophobicContact CB-CB 4.33Å; F85-P216 HydrophobicContact CD1-CB 3.83Å; F85-P216 HydrophobicContact CD1-CG 4.38Å; F85-P216 HydrophobicContact CD2-CB 3.98Å; F85-P216 HydrophobicContact CD2-CG 3.7Å; F85-P216 HydrophobicContact CE1-CB 4.06Å; F85-P216 HydrophobicContact CE1-CG 4.38Å; F85-P216 HydrophobicContact CE2-CB 4.25Å; F85-P216 HydrophobicContact CE2-CG 3.74Å; F85-P216 HydrophobicContact CG-CB 3.8Å; F85-P216 HydrophobicContact CG-CG 4.06Å; F85-P216 HydrophobicContact CZ-CB 4.28Å; F85-P216 HydrophobicContact CZ-CG 4.09Å; F85-L230 HydrophobicContact CE2-CD2 3.88Å; F85-L230 HydrophobicContact CZ-CD2 4.19Å; F85-P359 WeakPolarHBondContact CE1-O 3.49Å; F85-P359 HydrophobicContact CZ-CB 4.24Å; F85-P359 WeakPolarHBondContact CZ-O 3.35Å; F85-Y360 AromaticContact CE1-CD1 3.9Å; F85-Y360 HydrophobicContact CE1-CD1 3.9Å; F85-Y360 HydrophobicContact CE1-CE1 4.46Å; F85-Y360 HydrophobicContact CE2-CE1 4.36Å; F85-Y360 AromaticContact CZ-CD1 3.71Å; F85-Y360 HydrophobicContact CZ-CD1 3.71Å; F85-Y360 AromaticContact CZ-CE1 3.88Å; F85-Y360 HydrophobicContact CZ-CE1 3.88Å |
| 86 | R | 77.2 | Confident | 68 | Low | 113 Ų | 113 | 72.7 Ų | 72.7 | 43% | 0.426 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -59.1 | -50.3 | 173.7 | -177.5 | -172.2 | -66.2 | -178.6 | -6.1 | 111.6 | A82 R83 W84 R88 R89 G90 E214 | A82-R86 PolarHBondContact O-N 2.83Å; R83-R86 WeakPolarHBondContact O-CB 3.33Å; R83-R86 PolarHBondContact O-N 3.44Å; W84-R86 VanDerWaalsContact C-N 3.32Å; W84-R86 PolarHBondContact O-N 2.87Å; R86-R88 VanDerWaalsContact C-N 3.28Å; R86-R88 PolarHBondContact O-N 3.44Å; R86-R89 CarbonylContact O-C 3.16Å; R86-R89 WeakPolarHBondContact O-CA 3.36Å; R86-R89 PolarHBondContact O-N 2.84Å; R86-R89 VanDerWaalsContact O-N 3.08Å; R86-G90 WeakPolarHBondContact O-CA 3.46Å; R86-G90 PolarHBondContact O-N 3.13Å; R86-E214 VanDerWaalsContact CB-OE2 3.3Å; R86-E214 WeakPolarHBondContact CB-OE2 3.47Å; R86-E214 VanDerWaalsContact CG-OE2 3.26Å; R86-E214 WeakPolarHBondContact CG-OE2 3.37Å; R86-E214 IonicContact CZ-OE1 2.76Å; R86-E214 IonicContact CZ-OE2 3.78Å; R86-E214 IonicContact NE-OE1 3.98Å; R86-E214 PolarHBondContact NE-OE1 2.67Å; R86-E214 IonicContact NE-OE2 2.87Å; R86-E214 PolarHBondContact NE-OE2 3.43Å; R86-E214 VanDerWaalsContact NH2-CD 3.26Å; R86-E214 IonicContact NH2-OE1 3.94Å; R86-E214 PolarHBondContact NH2-OE1 3.4Å; R86-E214 IonicContact NH2-OE2 3.58Å |
| 87 | H | 72.8 | Confident | 64.9 | Low | 118 Ų | 118 | 78.2 Ų | 78.2 | 55% | 0.546 | 40% | 0.398 | S | S | . | . | H | α-helix | trans | -61 | -39.8 | -179 | -81.6 | -69.6 | 0 | 0 | 0 | 112.2 | R83 W84 R89 G90 H91 | R83-H87 PolarHBondContact O-CD2 3.3Å; R83-H87 PolarHBondContact O-N 2.96Å; W84-H87 PolarHBondContact O-N 2.9Å; H87-R89 VanDerWaalsContact C-N 3.3Å; H87-R89 PolarHBondContact O-N 3.15Å; H87-G90 PolarHBondContact O-N 2.93Å; H87-H91 PolarHBondContact O-N 2.93Å; H87-H91 VanDerWaalsContact O-N 3.13Å |
| 88 | R | 68.2 | Low | 62 | Low | 101 Ų | 101 | 87.5 Ų | 87.5 | 38% | 0.381 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -62.4 | -37.2 | 174.8 | -176 | 176.9 | -74.7 | -162.2 | -16.4 | 112.5 | W84 F85 R86 I92 Y360 | W84-R88 PolarHBondContact O-N 3.37Å; W84-R88 VanDerWaalsContact O-N 3.07Å; F85-R88 PolarHBondContact O-N 3.46Å; R86-R88 VanDerWaalsContact C-N 3.28Å; R86-R88 PolarHBondContact O-N 3.44Å; R88-I92 WeakPolarHBondContact O-CD1 3.23Å; R88-Y360 PolarHBondContact NH1-O 3.28Å |
| 89 | R | 63.7 | Low | 59 | Low | 33 Ų | 33 | 88.1 Ų | 88.1 | 13% | 0.125 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -78 | -29.2 | 170.9 | -71.2 | -165.8 | -170.6 | -176 | 10.4 | 114 | F85 R86 H87 I92 D363 | F85-R89 PolarHBondContact O-N 3.32Å; R86-R89 CarbonylContact O-C 3.16Å; R86-R89 WeakPolarHBondContact O-CA 3.36Å; R86-R89 PolarHBondContact O-N 2.84Å; R86-R89 VanDerWaalsContact O-N 3.08Å; H87-R89 VanDerWaalsContact C-N 3.3Å; H87-R89 PolarHBondContact O-N 3.15Å; R89-I92 HydrophobicContact CB-CD1 4.46Å; R89-I92 WeakPolarHBondContact O-CA 3.34Å; R89-I92 WeakPolarHBondContact O-CB 3.08Å; R89-I92 WeakPolarHBondContact O-CG1 3.48Å; R89-I92 PolarHBondContact O-N 2.95Å; R89-D363 IonicContact CZ-OD2 2.73Å; R89-D363 IonicContact NE-OD2 2.89Å; R89-D363 PolarHBondContact NE-OD2 3.44Å; R89-D363 IonicContact NH2-OD1 2.93Å; R89-D363 IonicContact NH2-OD2 3.5Å; R89-D363 PolarHBondContact NH2-OD2 3.38Å; R89-D363 VanDerWaalsContact NH2-OD2 3.1Å |
| 90 | G | 47.4 | Very low | 56 | Low | 23 Ų | 23 | 94.4 Ų | 94.4 | 24% | 0.237 | 48% | 0.483 | C | S | . | . | H | α-helix | trans | -79.2 | -22.7 | -173.4 | 0 | 0 | 0 | 0 | 0 | 113.6 | R86 H87 I92 S93 | R86-G90 WeakPolarHBondContact O-CA 3.46Å; R86-G90 PolarHBondContact O-N 3.13Å; H87-G90 PolarHBondContact O-N 2.93Å; G90-I92 PolarHBondContact O-N 3.25Å; G90-I92 VanDerWaalsContact O-N 3.12Å; G90-S93 PolarHBondContact O-N 3.43Å; G90-S93 PolarHBondContact O-OG 3.43Å |
| 91 | H | 44 | Very low | 53.3 | Low | 125 Ų | 125 | 96.4 Ų | 96.4 | 58% | 0.579 | 49% | 0.493 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.4 | -7.3 | 164 | -90.1 | -81 | 0 | 0 | 0 | 113.1 | H87 L198 | H87-H91 PolarHBondContact O-N 2.93Å; H87-H91 VanDerWaalsContact O-N 3.13Å; H91-L198 HydrophobicContact CB-CD2 3.51Å |
| 92 | I | 39.7 | Very low | 50.6 | Low | 30 Ų | 30 | 104.6 Ų | 104.6 | 15% | 0.154 | 52% | 0.523 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -21.4 | -178.7 | -45.3 | 177.1 | 0 | 0 | 0 | 111.1 | R88 R89 G90 L198 V199 N200 | R88-I92 WeakPolarHBondContact O-CD1 3.23Å; R89-I92 HydrophobicContact CB-CD1 4.46Å; R89-I92 WeakPolarHBondContact O-CA 3.34Å; R89-I92 WeakPolarHBondContact O-CB 3.08Å; R89-I92 WeakPolarHBondContact O-CG1 3.48Å; R89-I92 PolarHBondContact O-N 2.95Å; G90-I92 PolarHBondContact O-N 3.25Å; G90-I92 VanDerWaalsContact O-N 3.12Å; I92-L198 HydrophobicContact CG1-CB 4.25Å; I92-L198 HydrophobicContact CG1-CD2 3.85Å; I92-V199 WeakPolarHBondContact CD1-O 3.4Å; I92-N200 HydrophobicContact CG2-CB 4Å |
| 93 | S | 33.1 | Very low | 48.2 | Very low | 76 Ų | 76 | 107.2 Ų | 107.2 | 53% | 0.531 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -100.2 | -12.8 | -179.8 | 57.1 | 0 | 0 | 0 | 0 | 114.4 | G90 S96 | G90-S93 PolarHBondContact O-N 3.43Å; G90-S93 PolarHBondContact O-OG 3.43Å; S93-S96 PolarHBondContact O-OG 3.38Å |
| 94 | L | 31.9 | Very low | 45.8 | Very low | 146 Ų | 146 | 108.2 Ų | 108.2 | 76% | 0.764 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -89.2 | -0.8 | 177.3 | -77.6 | 163.6 | 0 | 0 | 0 | 113.7 | ||
| 95 | T | 33.2 | Very low | 43.8 | Very low | 112 Ų | 112 | 108.1 Ų | 108.1 | 69% | 0.687 | 55% | 0.551 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99 | -1.1 | 172.6 | 55.3 | 0 | 0 | 0 | 0 | 113.2 | ||
| 96 | S | 31.9 | Very low | 42.1 | Very low | 79 Ų | 79 | 109 Ų | 109 | 55% | 0.552 | 56% | 0.558 | S | S | * | * | S | Bend | trans | -102.5 | 87.4 | 161.6 | 54.3 | 0 | 0 | 0 | 0 | 107.8 | S93 F98 | S93-S96 PolarHBondContact O-OG 3.38Å; S96-F98 PolarHBondContact O-N 2.97Å |
| 97 | D | 30 | Very low | 40.5 | Very low | 147 Ų | 147 | 105.1 Ų | 105.1 | 79% | 0.786 | 55% | 0.546 | S | S | * | . | trans | -49.2 | 110.3 | 152.7 | -90.8 | -34.1 | 0 | 0 | 0 | 106.3 | ||||
| 98 | F | 32.4 | Very low | 39.4 | Very low | 208 Ų | 208 | 100.7 Ų | 100.7 | 91% | 0.912 | 53% | 0.525 | S | S | * | . | trans | 159.4 | 104.2 | 153.5 | -79.2 | -58.5 | 0 | 0 | 0 | 109.4 | S96 | S96-F98 PolarHBondContact O-N 2.97Š| ||
| 99 | G | 29.5 | Very low | 38.3 | Very low | 72 Ų | 72 | 99.6 Ų | 99.6 | 74% | 0.742 | 52% | 0.522 | S | S | * | . | trans | 87.1 | 139.1 | 151.1 | 0 | 0 | 0 | 0 | 0 | 118 | E101 | G99-E101 PolarHBondContact O-N 3.08Š| ||
| 100 | D | 27.8 | Very low | 37 | Very low | 179 Ų | 179 | 101.8 Ų | 101.8 | 96% | 0.957 | 54% | 0.536 | S | S | * | . | trans | -54.3 | 89.8 | 170.9 | -84.9 | -50.9 | 0 | 0 | 0 | 112.7 | ||||
| 101 | E | 32.1 | Very low | 36.7 | Very low | 182 Ų | 182 | 102.8 Ų | 102.8 | 85% | 0.85 | 54% | 0.537 | S | S | * | . | trans | -120.8 | 98.6 | 166.9 | -71.6 | -165.7 | 173.4 | 0 | 0 | 111.1 | G99 | G99-E101 PolarHBondContact O-N 3.08Š| ||
| 102 | R | 33.5 | Very low | 36.6 | Very low | 208 Ų | 208 | 99.5 Ų | 99.5 | 79% | 0.785 | 52% | 0.524 | S | S | * | . | trans | -57.8 | 131.1 | 165.5 | -159.7 | -175.8 | -58.3 | -143.4 | 2.6 | 107.7 | M104 | R102-M104 PolarHBondContact O-N 2.84Š| ||
| 103 | P | 38.1 | Very low | 36.5 | Very low | 61 Ų | 61 | 102.6 Ų | 102.6 | 40% | 0.396 | 54% | 0.54 | S | S | . | . | trans | -55.1 | 126.7 | -178.9 | -20.4 | 28.3 | 0 | 0 | 0 | 110.5 | Y105 I205 | P103-Y105 WeakPolarHBondContact O-CD2 3.46Å; P103-Y105 PolarHBondContact O-N 3.4Å; P103-I205 HydrophobicContact CB-CD1 4.06Å; P103-I205 HydrophobicContact CG-CD1 4.48Å | ||
| 104 | M | 33.9 | Very low | 36.6 | Very low | 152 Ų | 152 | 102.2 Ų | 102.2 | 75% | 0.749 | 53% | 0.532 | S | S | * | . | trans | -68.1 | 100.5 | 177.9 | -157.1 | -176.1 | 72.1 | 0 | 0 | 108.9 | R102 | R102-M104 PolarHBondContact O-N 2.84Š| ||
| 105 | Y | 39.7 | Very low | 36.7 | Very low | 91 Ų | 91 | 99.8 Ų | 99.8 | 36% | 0.357 | 51% | 0.513 | S | S | . | . | trans | -75.5 | 123.9 | 179.6 | -66.5 | -64.8 | 0 | 0 | 0 | 110.7 | P103 I205 F207 E214 | P103-Y105 WeakPolarHBondContact O-CD2 3.46Å; P103-Y105 PolarHBondContact O-N 3.4Å; Y105-I205 HydrophobicContact CD1-CG2 4.37Å; Y105-I205 HydrophobicContact CE1-CG2 4.26Å; Y105-F207 HydrophobicContact CD1-CB 3.57Å; Y105-F207 HydrophobicContact CD1-CD2 4Å; Y105-F207 HydrophobicContact CD1-CG 4.09Å; Y105-F207 HydrophobicContact CE1-CB 4.35Å; Y105-F207 AromaticContact CE1-CD2 3.95Å; Y105-F207 HydrophobicContact CE1-CD2 3.95Å; Y105-F207 HydrophobicContact CE1-CG 4.5Å; Y105-F207 HydrophobicContact CG-CB 3.87Å; Y105-F207 HydrophobicContact CG-CD2 4.49Å; Y105-F207 HydrophobicContact CG-CG 4.31Å; Y105-E214 HydrophobicContact CD1-CG 4.49Å; Y105-E214 HydrophobicContact CE1-CG 3.63Å; Y105-E214 VanDerWaalsContact CE1-OE1 3.31Å; Y105-E214 WeakPolarHBondContact CE1-OE1 3.41Å; Y105-E214 PolarHBondContact OH-OE1 2.85Å | ||
| 106 | V | 44.8 | Very low | 36.9 | Very low | 32 Ų | 32 | 101.7 Ų | 101.7 | 19% | 0.194 | 51% | 0.512 | C | S | . | . | B | Isolated β-bridge | trans | -91.8 | 121.3 | 170.8 | -175.2 | 0 | 0 | 0 | 0 | 109.1 | P204 I205 F207 T330 | V106-P204 HydrophobicContact CG2-CB 3.59Å; V106-P204 HydrophobicContact CG2-CG 4.36Å; V106-I205 PolarHBondContact N-O 3.29Å; V106-F207 PolarHBondContact O-N 3.39Å; V106-T330 HydrophobicContact CB-CG2 4.34Å; V106-T330 HydrophobicContact CG1-CG2 3.89Å |
| 107 | N | 43.8 | Very low | 37 | Very low | 32 Ų | 32 | 99.9 Ų | 99.9 | 17% | 0.171 | 49% | 0.494 | C | S | . | . | trans | -85.6 | 111.3 | 171 | 177.6 | 19.3 | 0 | 0 | 0 | 110 | Y109 D110 N209 | N107-Y109 PolarHBondContact O-N 3.24Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.47Å; N107-Y109 PolarHBondContact OD1-N 2.81Å; N107-D110 PolarHBondContact ND2-OD2 3.49Å; N107-D110 PolarHBondContact O-N 3.24Å; N107-D110 VanDerWaalsContact O-N 3.11Å; N107-N209 PolarHBondContact ND2-ND2 3.37Å; N107-N209 PolarHBondContact OD1-ND2 2.99Å | ||
| 108 | E | 49.5 | Very low | 37.3 | Very low | 25 Ų | 25 | 98.4 Ų | 98.4 | 12% | 0.117 | 49% | 0.486 | C | S | . | . | H | α-helix | trans | -72 | -12 | -179.7 | -133.7 | 168.4 | -147.6 | 0 | 0 | 113.1 | D110 T111 D112 R206 | E108-D110 VanDerWaalsContact C-N 3.32Å; E108-T111 WeakPolarHBondContact CA-OG1 3.33Å; E108-T111 PolarHBondContact O-N 3.29Å; E108-T111 PolarHBondContact O-OG1 2.86Å; E108-D112 PolarHBondContact O-N 3.13Å; E108-R206 WeakPolarHBondContact OE1-CD 3.27Å; E108-R206 IonicContact OE1-CZ 3.1Å; E108-R206 IonicContact OE1-NE 3.56Å; E108-R206 IonicContact OE1-NH1 2.87Å; E108-R206 PolarHBondContact OE1-NH1 3.4Å; E108-R206 IonicContact OE2-CZ 3.92Å; E108-R206 IonicContact OE2-NH1 3.68Å; E108-R206 PolarHBondContact OE2-NH1 2.92Å |
| 109 | Y | 43.6 | Very low | 37.5 | Very low | 78 Ų | 78 | 95 Ų | 95 | 31% | 0.306 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -70.4 | -32.5 | 168.6 | -84.6 | -96.8 | 0 | 0 | 0 | 111.9 | N107 T111 I113 H210 | N107-Y109 PolarHBondContact O-N 3.24Å; N107-Y109 WeakPolarHBondContact OD1-CB 3.47Å; N107-Y109 PolarHBondContact OD1-N 2.81Å; Y109-T111 VanDerWaalsContact C-N 3.33Å; Y109-I113 WeakPolarHBondContact O-CB 3.22Å; Y109-I113 VanDerWaalsContact O-CG1 3.26Å; Y109-I113 WeakPolarHBondContact O-CG1 3.1Å; Y109-I113 PolarHBondContact O-N 3.48Å; Y109-H210 AromaticContact CD2-NE2 3.99Å; Y109-H210 AromaticContact CE1-NE2 3.43Å; Y109-H210 WeakPolarHBondContact CE1-NE2 3.39Å; Y109-H210 AromaticContact CE2-CD2 3.26Å; Y109-H210 WeakPolarHBondContact CE2-CD2 3.39Å; Y109-H210 AromaticContact CE2-NE2 3.36Å; Y109-H210 WeakPolarHBondContact CE2-NE2 3.43Å; Y109-H210 AromaticContact CZ-CD2 3.32Å; Y109-H210 AromaticContact CZ-NE2 3.02Å; Y109-H210 PolarHBondContact OH-CD2 3.29Å; Y109-H210 VanDerWaalsContact OH-CD2 3.27Å; Y109-H210 PolarHBondContact OH-NE2 2.79Å; Y109-H210 VanDerWaalsContact OH-NE2 3.16Å |
| 110 | D | 38.3 | Very low | 37.9 | Very low | 79 Ų | 79 | 97.2 Ų | 97.2 | 42% | 0.422 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -74.2 | -26.1 | 176.8 | -72.1 | -45.9 | 0 | 0 | 0 | 111.2 | N107 E108 N114 | N107-D110 PolarHBondContact ND2-OD2 3.49Å; N107-D110 PolarHBondContact O-N 3.24Å; N107-D110 VanDerWaalsContact O-N 3.11Å; E108-D110 VanDerWaalsContact C-N 3.32Å; D110-N114 WeakPolarHBondContact O-CA 3.33Å; D110-N114 WeakPolarHBondContact O-CB 3.46Å; D110-N114 PolarHBondContact O-N 3.12Å; D110-N114 PolarHBondContact O-ND2 2.99Å |
| 111 | T | 41.2 | Very low | 38.3 | Very low | 44 Ų | 44 | 91.9 Ų | 91.9 | 27% | 0.27 | 44% | 0.436 | S | S | . | . | H | α-helix | trans | -75.9 | -37.5 | 174 | 56.4 | 0 | 0 | 0 | 0 | 112.4 | E108 Y109 Y115 | E108-T111 WeakPolarHBondContact CA-OG1 3.33Å; E108-T111 PolarHBondContact O-N 3.29Å; E108-T111 PolarHBondContact O-OG1 2.86Å; Y109-T111 VanDerWaalsContact C-N 3.33Å; T111-Y115 WeakPolarHBondContact O-CA 3.23Å; T111-Y115 WeakPolarHBondContact O-CB 3.44Å; T111-Y115 PolarHBondContact O-N 2.91Å |
| 112 | D | 40.2 | Very low | 38.6 | Very low | 57 Ų | 57 | 92 Ų | 92 | 31% | 0.305 | 43% | 0.434 | S | S | . | . | H | α-helix | trans | -70.4 | -36.3 | 174.3 | -104.4 | -13.5 | 0 | 0 | 0 | 112.3 | E108 K116 R328 | E108-D112 PolarHBondContact O-N 3.13Å; D112-K116 WeakPolarHBondContact O-CB 3.06Å; D112-K116 PolarHBondContact O-N 3.03Å; D112-K116 VanDerWaalsContact O-N 3.09Å; D112-R328 WeakPolarHBondContact OD1-CD 3.46Å; D112-R328 IonicContact OD1-CZ 3.65Å; D112-R328 IonicContact OD1-NE 3.41Å; D112-R328 IonicContact OD1-NH1 3.76Å; D112-R328 PolarHBondContact OD1-NH1 2.96Å; D112-R328 IonicContact OD2-NH1 2.7Å |
| 113 | I | 39.2 | Very low | 38.9 | Very low | 95 Ų | 95 | 88.2 Ų | 88.2 | 49% | 0.487 | 43% | 0.429 | S | S | . | . | H | α-helix | trans | -71.2 | -49.4 | 172.6 | -67.7 | 169.8 | 0 | 0 | 0 | 110.1 | Y109 Y115 K116 K117 | Y109-I113 WeakPolarHBondContact O-CB 3.22Å; Y109-I113 VanDerWaalsContact O-CG1 3.26Å; Y109-I113 WeakPolarHBondContact O-CG1 3.1Å; Y109-I113 PolarHBondContact O-N 3.48Å; I113-Y115 VanDerWaalsContact C-N 3.33Å; I113-Y115 PolarHBondContact O-N 3.42Å; I113-K116 CarbonylContact O-C 3.59Å; I113-K116 PolarHBondContact O-N 2.97Å; I113-K117 WeakPolarHBondContact O-CB 3.46Å; I113-K117 PolarHBondContact O-N 3.25Å |
| 114 | N | 33.6 | Very low | 38.8 | Very low | 67 Ų | 67 | 91.1 Ų | 91.1 | 36% | 0.358 | 44% | 0.437 | S | S | . | . | H | α-helix | trans | -67 | -31.1 | 179.5 | -73.2 | -37 | 0 | 0 | 0 | 112.3 | D110 K117 L118 | D110-N114 WeakPolarHBondContact O-CA 3.33Å; D110-N114 WeakPolarHBondContact O-CB 3.46Å; D110-N114 PolarHBondContact O-N 3.12Å; D110-N114 PolarHBondContact O-ND2 2.99Å; N114-K117 CarbonylContact O-C 3.56Å; N114-K117 PolarHBondContact O-N 3.16Å; N114-L118 WeakPolarHBondContact O-CB 3.17Å; N114-L118 WeakPolarHBondContact O-CD1 3.32Å; N114-L118 WeakPolarHBondContact O-CG 3.34Å; N114-L118 PolarHBondContact O-N 3.34Å |
| 115 | Y | 34.9 | Very low | 39.1 | Very low | 95 Ų | 95 | 89.4 Ų | 89.4 | 37% | 0.373 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -72.9 | -40 | 173.9 | -174.2 | -93.6 | 0 | 0 | 0 | 111.8 | T111 I113 K117 K119 | T111-Y115 WeakPolarHBondContact O-CA 3.23Å; T111-Y115 WeakPolarHBondContact O-CB 3.44Å; T111-Y115 PolarHBondContact O-N 2.91Å; I113-Y115 VanDerWaalsContact C-N 3.33Å; I113-Y115 PolarHBondContact O-N 3.42Å; Y115-K117 VanDerWaalsContact C-N 3.33Å; Y115-K119 HydrophobicContact CD1-CD 4.36Å; Y115-K119 HydrophobicContact CE1-CD 3.71Å; Y115-K119 HydrophobicContact CE1-CG 4.48Å; Y115-K119 WeakPolarHBondContact O-CB 3.31Å; Y115-K119 PolarHBondContact O-N 3.28Å; Y115-K119 VanDerWaalsContact OH-CE 3.32Å; Y115-K119 WeakPolarHBondContact OH-CE 3.12Å; Y115-K119 PolarHBondContact OH-NZ 2.73Å |
| 116 | K | 36.5 | Very low | 39.2 | Very low | 152 Ų | 152 | 92 Ų | 92 | 66% | 0.661 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -62.5 | -41.2 | 168.4 | -87.4 | -179 | 174.5 | 178.7 | 0 | 111.3 | D112 I113 K119 L120 | D112-K116 WeakPolarHBondContact O-CB 3.06Å; D112-K116 PolarHBondContact O-N 3.03Å; D112-K116 VanDerWaalsContact O-N 3.09Å; I113-K116 CarbonylContact O-C 3.59Å; I113-K116 PolarHBondContact O-N 2.97Å; K116-K119 PolarHBondContact O-N 3.35Å; K116-L120 VanDerWaalsContact O-CB 3.27Å; K116-L120 WeakPolarHBondContact O-CB 3.46Å; K116-L120 WeakPolarHBondContact O-CD1 3.27Å; K116-L120 WeakPolarHBondContact O-CG 3.4Å; K116-L120 PolarHBondContact O-N 3.39Å |
| 117 | K | 34.5 | Very low | 38.8 | Very low | 41 Ų | 41 | 93.7 Ų | 93.7 | 18% | 0.178 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -66.5 | -42.9 | 177.7 | -151.7 | 174.1 | -176.9 | 177.6 | 0 | 110.9 | I113 N114 Y115 K119 L120 D121 L127 F131 | I113-K117 WeakPolarHBondContact O-CB 3.46Å; I113-K117 PolarHBondContact O-N 3.25Å; N114-K117 CarbonylContact O-C 3.56Å; N114-K117 PolarHBondContact O-N 3.16Å; Y115-K117 VanDerWaalsContact C-N 3.33Å; K117-K119 PolarHBondContact O-N 3.22Å; K117-L120 CarbonylContact O-C 3.46Å; K117-L120 PolarHBondContact O-N 3.18Å; K117-L120 VanDerWaalsContact O-N 3.1Å; K117-D121 WeakPolarHBondContact O-CA 3.5Å; K117-D121 WeakPolarHBondContact O-CB 3.2Å; K117-D121 PolarHBondContact O-N 3.41Å; K117-L127 HydrophobicContact CD-CD2 4.41Å; K117-L127 HydrophobicContact CG-CD2 4.2Å; K117-F131 HydrophobicContact CD-CE2 4.25Å; K117-F131 VanDerWaalsContact NZ-CD2 3.26Å |
| 118 | L | 36.4 | Very low | 38.7 | Very low | 117 Ų | 117 | 100 Ų | 100 | 61% | 0.613 | 49% | 0.491 | S | S | * | . | H | α-helix | trans | -64 | -35.6 | 172.9 | -88.4 | 151.6 | 0 | 0 | 0 | 113.1 | N114 | N114-L118 WeakPolarHBondContact O-CB 3.17Å; N114-L118 WeakPolarHBondContact O-CD1 3.32Å; N114-L118 WeakPolarHBondContact O-CG 3.34Å; N114-L118 PolarHBondContact O-N 3.34Å |
| 119 | K | 36.3 | Very low | 38.1 | Very low | 136 Ų | 136 | 102.2 Ų | 102.2 | 59% | 0.591 | 51% | 0.51 | S | S | * | . | H | α-helix | trans | -74.1 | -29.1 | 171.4 | -90.3 | -178.2 | 168.4 | 171.8 | 0 | 113 | Y115 K116 K117 | Y115-K119 HydrophobicContact CD1-CD 4.36Å; Y115-K119 HydrophobicContact CE1-CD 3.71Å; Y115-K119 HydrophobicContact CE1-CG 4.48Å; Y115-K119 WeakPolarHBondContact O-CB 3.31Å; Y115-K119 PolarHBondContact O-N 3.28Å; Y115-K119 VanDerWaalsContact OH-CE 3.32Å; Y115-K119 WeakPolarHBondContact OH-CE 3.12Å; Y115-K119 PolarHBondContact OH-NZ 2.73Å; K116-K119 PolarHBondContact O-N 3.35Å; K117-K119 PolarHBondContact O-N 3.22Å |
| 120 | L | 38 | Very low | 37.8 | Very low | 119 Ų | 119 | 102 Ų | 102 | 62% | 0.623 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -83.2 | -31.5 | 175.8 | -84.1 | 154 | 0 | 0 | 0 | 112.9 | K116 K117 K122 N123 | K116-L120 VanDerWaalsContact O-CB 3.27Å; K116-L120 WeakPolarHBondContact O-CB 3.46Å; K116-L120 WeakPolarHBondContact O-CD1 3.27Å; K116-L120 WeakPolarHBondContact O-CG 3.4Å; K116-L120 PolarHBondContact O-N 3.39Å; K117-L120 CarbonylContact O-C 3.46Å; K117-L120 PolarHBondContact O-N 3.18Å; K117-L120 VanDerWaalsContact O-N 3.1Å; L120-K122 VanDerWaalsContact C-N 3.28Å; L120-K122 PolarHBondContact O-N 3.35Å; L120-N123 WeakPolarHBondContact O-CB 3.32Å; L120-N123 PolarHBondContact O-N 3.06Å; L120-N123 VanDerWaalsContact O-N 3.08Å |
| 121 | D | 35.9 | Very low | 37.7 | Very low | 67 Ų | 67 | 103.2 Ų | 103.2 | 36% | 0.358 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -76.2 | -15.2 | -175.9 | -78.3 | -19.5 | 0 | 0 | 0 | 112.2 | K117 N123 | K117-D121 WeakPolarHBondContact O-CA 3.5Å; K117-D121 WeakPolarHBondContact O-CB 3.2Å; K117-D121 PolarHBondContact O-N 3.41Å; D121-N123 PolarHBondContact O-N 2.97Å; D121-N123 VanDerWaalsContact O-N 3.12Å |
| 122 | K | 39.7 | Very low | 37.9 | Very low | 185 Ų | 185 | 107.4 Ų | 107.4 | 80% | 0.804 | 54% | 0.537 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -62.8 | -10.4 | 164.7 | -77.4 | -168.6 | 175.6 | -173 | 0 | 113.1 | L120 | L120-K122 VanDerWaalsContact C-N 3.28Å; L120-K122 PolarHBondContact O-N 3.35Å |
| 123 | N | 39.7 | Very low | 38.1 | Very low | 127 Ų | 127 | 113 Ų | 113 | 68% | 0.679 | 55% | 0.554 | S | S | * | * | S | Bend | trans | -117.9 | -12.9 | -171 | -80.9 | -8.8 | 0 | 0 | 0 | 117.9 | L120 D121 | L120-N123 WeakPolarHBondContact O-CB 3.32Å; L120-N123 PolarHBondContact O-N 3.06Å; L120-N123 VanDerWaalsContact O-N 3.08Å; D121-N123 PolarHBondContact O-N 2.97Å; D121-N123 VanDerWaalsContact O-N 3.12Å |
| 124 | H | 35.6 | Very low | 38.1 | Very low | 123 Ų | 123 | 113.7 Ų | 113.7 | 57% | 0.569 | 56% | 0.555 | S | S | * | * | trans | -160.3 | 125.5 | -178.5 | -116.8 | -94.9 | 0 | 0 | 0 | 116.9 | Q126 | H124-Q126 PolarHBondContact O-N 2.9Š| ||
| 125 | S | 39.5 | Very low | 38.4 | Very low | 116 Ų | 116 | 116.8 Ų | 116.8 | 81% | 0.811 | 57% | 0.566 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62.2 | 14.6 | 176.6 | 51.3 | 0 | 0 | 0 | 0 | 116.6 | ||
| 126 | Q | 42.4 | Very low | 38.6 | Very low | 146 Ų | 146 | 117.5 Ų | 117.5 | 68% | 0.682 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -104.1 | -8.9 | -175.7 | -75.4 | -179.4 | -16.8 | 0 | 0 | 114.3 | H124 | H124-Q126 PolarHBondContact O-N 2.9Š|
| 127 | L | 37.3 | Very low | 38.8 | Very low | 66 Ų | 66 | 117.7 Ų | 117.7 | 35% | 0.346 | 58% | 0.576 | S | S | . | * | S | Bend | trans | -81.2 | -22 | -176.4 | -102.8 | 115.5 | 0 | 0 | 0 | 115.5 | K117 S129 C130 F131 | K117-L127 HydrophobicContact CD-CD2 4.41Å; K117-L127 HydrophobicContact CG-CD2 4.2Å; L127-S129 PolarHBondContact O-N 3.46Å; L127-C130 PolarHBondContact O-N 3.08Å; L127-F131 PolarHBondContact O-N 2.74Å |
| 128 | E | 40 | Very low | 39 | Very low | 164 Ų | 164 | 121.6 Ų | 121.6 | 77% | 0.766 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -62 | -37.9 | -176.7 | -77.5 | -166.4 | 144.3 | 0 | 0 | 113.5 | C130 F131 Q132 | E128-C130 PolarHBondContact O-N 3.17Å; E128-F131 PolarHBondContact O-N 2.93Å; E128-Q132 PolarHBondContact O-N 3.43Å |
| 129 | S | 38.6 | Very low | 39.1 | Very low | 72 Ų | 72 | 120.6 Ų | 120.6 | 50% | 0.503 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -70.5 | -19.9 | -178.4 | 74.1 | 0 | 0 | 0 | 0 | 113.8 | L127 R133 | L127-S129 PolarHBondContact O-N 3.46Å; S129-R133 PolarHBondContact O-NE 2.89Å |
| 130 | C | 35.9 | Very low | 39.4 | Very low | 74 Ų | 74 | 121.3 Ų | 121.3 | 50% | 0.5 | 60% | 0.597 | S | S | . | * | H | α-helix | trans | -90 | -33.3 | 177.5 | -145.3 | 0 | 0 | 0 | 0 | 111.3 | L127 E128 R133 Q134 | L127-C130 PolarHBondContact O-N 3.08Å; E128-C130 PolarHBondContact O-N 3.17Å; C130-R133 PolarHBondContact O-N 2.72Å; C130-Q134 PolarHBondContact O-N 2.87Å |
| 131 | F | 36.6 | Very low | 39.6 | Very low | 105 Ų | 105 | 120.2 Ų | 120.2 | 46% | 0.461 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -66.2 | -42.4 | 175.9 | -139 | -73.5 | 0 | 0 | 0 | 112 | K117 L127 E128 R133 Q134 K135 | K117-F131 HydrophobicContact CD-CE2 4.25Å; K117-F131 VanDerWaalsContact NZ-CD2 3.26Å; L127-F131 PolarHBondContact O-N 2.74Å; E128-F131 PolarHBondContact O-N 2.93Å; F131-R133 VanDerWaalsContact C-N 3.32Å; F131-R133 PolarHBondContact O-N 3.18Å; F131-Q134 PolarHBondContact O-N 3.37Å; F131-K135 PolarHBondContact O-N 3.49Å |
| 132 | Q | 45.7 | Very low | 39.8 | Very low | 132 Ų | 132 | 123 Ų | 123 | 62% | 0.617 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -57.9 | -41.1 | 173.7 | -79.5 | -86 | -12 | 0 | 0 | 112.3 | E128 K135 L136 | E128-Q132 PolarHBondContact O-N 3.43Å; Q132-K135 PolarHBondContact O-N 3.34Å; Q132-L136 PolarHBondContact O-N 3.47Å |
| 133 | R | 43.5 | Very low | 39.8 | Very low | 174 Ų | 174 | 117.2 Ų | 117.2 | 66% | 0.657 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -70.4 | -30.5 | 178.3 | -72.7 | -173.2 | -129.2 | -150.7 | 1.4 | 113.6 | S129 C130 F131 | S129-R133 PolarHBondContact O-NE 2.89Å; C130-R133 PolarHBondContact O-N 2.72Å; F131-R133 VanDerWaalsContact C-N 3.32Å; F131-R133 PolarHBondContact O-N 3.18Å |
| 134 | Q | 39.3 | Very low | 39.8 | Very low | 109 Ų | 109 | 117.3 Ų | 117.3 | 51% | 0.509 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -76.5 | -36.3 | 175.3 | -77.6 | -176.1 | -13.9 | 0 | 0 | 112.1 | C130 F131 L136 K137 L138 | C130-Q134 PolarHBondContact O-N 2.87Å; F131-Q134 PolarHBondContact O-N 3.37Å; Q134-L136 PolarHBondContact O-N 2.93Å; Q134-K137 PolarHBondContact O-N 3.28Å; Q134-K137 VanDerWaalsContact O-N 3.09Å; Q134-L138 PolarHBondContact O-N 3.44Å; Q134-L138 VanDerWaalsContact O-N 3.08Å |
| 135 | K | 40.2 | Very low | 39.9 | Very low | 132 Ų | 132 | 117.3 Ų | 117.3 | 57% | 0.574 | 59% | 0.585 | S | S | * | * | H | α-helix | trans | -58.4 | -46.4 | 174.2 | -164.5 | 174.1 | -178.4 | -178.8 | 0 | 111.8 | F131 Q132 K137 L138 D139 | F131-K135 PolarHBondContact O-N 3.49Å; Q132-K135 PolarHBondContact O-N 3.34Å; K135-K137 VanDerWaalsContact C-N 3.25Å; K135-K137 PolarHBondContact O-N 3.45Å; K135-L138 PolarHBondContact O-N 2.83Å; K135-L138 VanDerWaalsContact O-N 3.14Å; K135-D139 PolarHBondContact O-N 3.09Å |
| 136 | L | 39.5 | Very low | 39.7 | Very low | 111 Ų | 111 | 117.8 Ų | 117.8 | 58% | 0.581 | 57% | 0.574 | S | S | * | * | H | α-helix | trans | -60.9 | -26.9 | 174.6 | -80.5 | 160.3 | 0 | 0 | 0 | 114.5 | Q132 Q134 | Q132-L136 PolarHBondContact O-N 3.47Å; Q134-L136 PolarHBondContact O-N 2.93Å |
| 137 | K | 40.8 | Very low | 39.6 | Very low | 156 Ų | 156 | 112.9 Ų | 112.9 | 68% | 0.678 | 56% | 0.556 | S | S | * | * | H | α-helix | trans | -81.8 | -31.5 | 176.1 | -80.3 | -175.1 | 176.1 | -176.8 | 0 | 112.6 | Q134 K135 N141 | Q134-K137 PolarHBondContact O-N 3.28Å; Q134-K137 VanDerWaalsContact O-N 3.09Å; K135-K137 VanDerWaalsContact C-N 3.25Å; K135-K137 PolarHBondContact O-N 3.45Å; K137-N141 PolarHBondContact O-N 2.92Å |
| 138 | L | 38.2 | Very low | 39.5 | Very low | 123 Ų | 123 | 113.1 Ų | 113.1 | 64% | 0.644 | 56% | 0.563 | S | S | * | * | H | α-helix | trans | -71.7 | -41.9 | 174.9 | -93.2 | 142.8 | 0 | 0 | 0 | 111.6 | Q134 K135 K140 N141 H142 | Q134-L138 PolarHBondContact O-N 3.44Å; Q134-L138 VanDerWaalsContact O-N 3.08Å; K135-L138 PolarHBondContact O-N 2.83Å; K135-L138 VanDerWaalsContact O-N 3.14Å; L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 3.37Å; L138-N141 PolarHBondContact O-N 2.67Å; L138-N141 VanDerWaalsContact O-N 3.09Å; L138-H142 PolarHBondContact O-N 3.48Å |
| 139 | D | 39.4 | Very low | 39.3 | Very low | 95 Ų | 95 | 111.2 Ų | 111.2 | 51% | 0.508 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -62.9 | -35.2 | 177.2 | -66.5 | -20.3 | 0 | 0 | 0 | 112 | K135 N141 H142 S143 | K135-D139 PolarHBondContact O-N 3.09Å; D139-N141 VanDerWaalsContact C-N 3.34Å; D139-N141 PolarHBondContact O-N 2.89Å; D139-H142 PolarHBondContact O-N 3.28Å; D139-S143 PolarHBondContact O-N 3.33Å |
| 140 | K | 42.6 | Very low | 39.5 | Very low | 151 Ų | 151 | 113 Ų | 113 | 66% | 0.657 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -66.3 | -30.6 | 173.9 | -84.6 | -173.5 | 175.6 | -175.5 | 0 | 114 | L138 S143 Q144 | L138-K140 VanDerWaalsContact C-N 3.29Å; L138-K140 PolarHBondContact O-N 3.37Å; K140-S143 PolarHBondContact O-OG 3.33Å; K140-S143 VanDerWaalsContact O-OG 3.11Å; K140-Q144 PolarHBondContact O-N 2.89Å |
| 141 | N | 41 | Very low | 39.6 | Very low | 97 Ų | 97 | 116.8 Ų | 116.8 | 52% | 0.519 | 56% | 0.556 | S | S | . | * | H | α-helix | trans | -80.2 | -30.6 | 176.7 | -74.8 | -10.4 | 0 | 0 | 0 | 111.4 | K137 L138 D139 Q144 L145 | K137-N141 PolarHBondContact O-N 2.92Å; L138-N141 PolarHBondContact O-N 2.67Å; L138-N141 VanDerWaalsContact O-N 3.09Å; D139-N141 VanDerWaalsContact C-N 3.34Å; D139-N141 PolarHBondContact O-N 2.89Å; N141-Q144 PolarHBondContact O-N 3.39Å; N141-L145 PolarHBondContact O-N 3.23Å; N141-L145 VanDerWaalsContact O-N 3.11Å |
| 142 | H | 39.7 | Very low | 39.7 | Very low | 124 Ų | 124 | 118.4 Ų | 118.4 | 57% | 0.574 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -66.6 | -41.8 | 176 | -145.6 | -92.3 | 0 | 0 | 0 | 111.8 | L138 D139 Q144 L145 E146 | L138-H142 PolarHBondContact O-N 3.48Å; D139-H142 PolarHBondContact O-N 3.28Å; H142-Q144 PolarHBondContact O-N 3.49Å; H142-L145 PolarHBondContact O-N 2.88Å; H142-E146 PolarHBondContact O-N 2.96Å |
| 143 | S | 39.6 | Very low | 39.4 | Very low | 65 Ų | 65 | 114.8 Ų | 114.8 | 46% | 0.455 | 55% | 0.552 | S | S | . | * | H | α-helix | trans | -67.5 | -32.3 | 175.6 | 64.3 | 0 | 0 | 0 | 0 | 113.5 | D139 K140 S147 | D139-S143 PolarHBondContact O-N 3.33Å; K140-S143 PolarHBondContact O-OG 3.33Å; K140-S143 VanDerWaalsContact O-OG 3.11Å; S143-S147 PolarHBondContact O-N 2.96Å |
| 144 | Q | 40.9 | Very low | 39.2 | Very low | 129 Ų | 129 | 112.2 Ų | 112.2 | 60% | 0.603 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -67.6 | -38.2 | 172.7 | -76.6 | -174.2 | -7.3 | 0 | 0 | 112.2 | K140 N141 H142 S147 C148 | K140-Q144 PolarHBondContact O-N 2.89Å; N141-Q144 PolarHBondContact O-N 3.39Å; H142-Q144 PolarHBondContact O-N 3.49Å; Q144-S147 PolarHBondContact O-N 3.06Å; Q144-S147 PolarHBondContact O-OG 3.42Å; Q144-C148 PolarHBondContact O-N 2.09Å; Q144-C148 VanDerWaalsContact O-N 3.1Å |
| 145 | L | 36.4 | Very low | 39.2 | Very low | 123 Ų | 123 | 118 Ų | 118 | 64% | 0.644 | 57% | 0.569 | S | S | * | * | H | α-helix | trans | -65.7 | -42.5 | 175.3 | -98.4 | 145.7 | 0 | 0 | 0 | 112.1 | N141 H142 S147 C148 F149 | N141-L145 PolarHBondContact O-N 3.23Å; N141-L145 VanDerWaalsContact O-N 3.11Å; H142-L145 PolarHBondContact O-N 2.88Å; L145-S147 VanDerWaalsContact C-N 3.35Å; L145-S147 PolarHBondContact O-N 3.34Å; L145-C148 PolarHBondContact O-N 3.21Å; L145-F149 PolarHBondContact O-N 2.76Å |
| 146 | E | 36.6 | Very low | 39.1 | Very low | 125 Ų | 125 | 115.2 Ų | 115.2 | 58% | 0.584 | 57% | 0.565 | S | S | * | * | H | α-helix | trans | -60.8 | -42 | 171.8 | -80.2 | -177.1 | 167.1 | 0 | 0 | 111.9 | H142 C148 F149 Q150 | H142-E146 PolarHBondContact O-N 2.96Å; E146-C148 PolarHBondContact O-N 3Å; E146-F149 PolarHBondContact O-N 2.84Å; E146-F149 VanDerWaalsContact O-N 3.16Å; E146-Q150 WeakPolarHBondContact O-CB 3.49Å; E146-Q150 PolarHBondContact O-N 3.35Å |
| 147 | S | 39.2 | Very low | 38.6 | Very low | 44 Ų | 44 | 113.4 Ų | 113.4 | 31% | 0.308 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -64.7 | -27.7 | 177.1 | 86 | 0 | 0 | 0 | 0 | 113.8 | S143 Q144 L145 R151 | S143-S147 PolarHBondContact O-N 2.96Å; Q144-S147 PolarHBondContact O-N 3.06Å; Q144-S147 PolarHBondContact O-OG 3.42Å; L145-S147 VanDerWaalsContact C-N 3.35Å; L145-S147 PolarHBondContact O-N 3.34Å; S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 WeakPolarHBondContact O-CG 3.37Å; S147-R151 PolarHBondContact O-N 2.9Å; S147-R151 PolarHBondContact O-NE 3.06Å; S147-R151 PolarHBondContact OG-NH2 3.4Å |
| 148 | C | 36.2 | Very low | 38.1 | Very low | 70 Ų | 70 | 111.1 Ų | 111.1 | 47% | 0.473 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -79.1 | -37.7 | 174.4 | -90.3 | 0 | 0 | 0 | 0 | 111.2 | Q144 L145 E146 R151 Q152 | Q144-C148 PolarHBondContact O-N 2.09Å; Q144-C148 VanDerWaalsContact O-N 3.1Å; L145-C148 PolarHBondContact O-N 3.21Å; E146-C148 PolarHBondContact O-N 3Å; C148-R151 PolarHBondContact O-N 3.37Å; C148-Q152 PolarHBondContact O-N 3.32Å; C148-Q152 VanDerWaalsContact O-N 3.1Å |
| 149 | F | 34.5 | Very low | 37.6 | Very low | 124 Ų | 124 | 114.1 Ų | 114.1 | 54% | 0.544 | 58% | 0.584 | S | S | . | * | H | α-helix | trans | -66.7 | -45.5 | 176.5 | -163 | -101.1 | 0 | 0 | 0 | 111.2 | L145 E146 R151 Q152 V153 | L145-F149 PolarHBondContact O-N 2.76Å; E146-F149 PolarHBondContact O-N 2.84Å; E146-F149 VanDerWaalsContact O-N 3.16Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.26Å; F149-Q152 WeakPolarHBondContact O-CA 3.28Å; F149-Q152 WeakPolarHBondContact O-CB 3.38Å; F149-Q152 PolarHBondContact O-N 2.92Å; F149-V153 HydrophobicContact CD1-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 4.14Å; F149-V153 WeakPolarHBondContact O-CG2 3.4Å; F149-V153 PolarHBondContact O-N 2.89Å |
| 150 | Q | 42.7 | Very low | 36.9 | Very low | 110 Ų | 110 | 115.5 Ų | 115.5 | 51% | 0.514 | 60% | 0.6 | S | S | . | * | H | α-helix | trans | -61.7 | -40.3 | 176.5 | -149.9 | 67.8 | 19.9 | 0 | 0 | 111.9 | E146 Q152 V153 D154 | E146-Q150 WeakPolarHBondContact O-CB 3.49Å; E146-Q150 PolarHBondContact O-N 3.35Å; Q150-Q152 VanDerWaalsContact C-N 3.27Å; Q150-Q152 PolarHBondContact O-N 3.24Å; Q150-V153 PolarHBondContact O-N 3.4Å; Q150-V153 VanDerWaalsContact O-N 3.15Å; Q150-D154 PolarHBondContact O-N 2.94Å |
| 151 | R | 39.6 | Very low | 36.3 | Very low | 153 Ų | 153 | 114.1 Ų | 114.1 | 58% | 0.577 | 60% | 0.604 | S | S | * | * | H | α-helix | trans | -65.3 | -26.1 | 173.7 | -83.7 | -176.3 | -82.7 | -170.2 | -7 | 113.9 | S147 C148 F149 R155 | S147-R151 WeakPolarHBondContact O-CB 3.41Å; S147-R151 WeakPolarHBondContact O-CG 3.37Å; S147-R151 PolarHBondContact O-N 2.9Å; S147-R151 PolarHBondContact O-NE 3.06Å; S147-R151 PolarHBondContact OG-NH2 3.4Å; C148-R151 PolarHBondContact O-N 3.37Å; F149-R151 VanDerWaalsContact C-N 3.33Å; F149-R151 PolarHBondContact O-N 3.26Å; R151-R155 WeakPolarHBondContact O-CG 3.26Å |
| 152 | Q | 38.3 | Very low | 35.7 | Very low | 140 Ų | 140 | 117.1 Ų | 117.1 | 65% | 0.654 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -77.5 | -37.1 | 171.6 | -81.5 | -171.8 | -58.7 | 0 | 0 | 111.7 | C148 F149 Q150 R155 S156 | C148-Q152 PolarHBondContact O-N 3.32Å; C148-Q152 VanDerWaalsContact O-N 3.1Å; F149-Q152 WeakPolarHBondContact O-CA 3.28Å; F149-Q152 WeakPolarHBondContact O-CB 3.38Å; F149-Q152 PolarHBondContact O-N 2.92Å; Q150-Q152 VanDerWaalsContact C-N 3.27Å; Q150-Q152 PolarHBondContact O-N 3.24Å; Q152-R155 PolarHBondContact O-N 2.73Å; Q152-S156 PolarHBondContact O-N 2.96Å; Q152-S156 PolarHBondContact O-OG 3.4Å |
| 153 | V | 39.2 | Very low | 35.3 | Very low | 56 Ų | 56 | 120 Ų | 120 | 34% | 0.339 | 63% | 0.632 | S | S | . | * | H | α-helix | trans | -65.9 | -42.3 | 175.8 | 175.6 | 0 | 0 | 0 | 0 | 111.5 | F149 Q150 R155 S156 | F149-V153 HydrophobicContact CD1-CG2 4.25Å; F149-V153 HydrophobicContact CE1-CG2 4.14Å; F149-V153 WeakPolarHBondContact O-CG2 3.4Å; F149-V153 PolarHBondContact O-N 2.89Å; Q150-V153 PolarHBondContact O-N 3.4Å; Q150-V153 VanDerWaalsContact O-N 3.15Å; V153-R155 PolarHBondContact O-N 2.92Å; V153-S156 WeakPolarHBondContact CA-OG 3.26Å; V153-S156 PolarHBondContact O-N 3.16Å; V153-S156 VanDerWaalsContact O-N 3.12Å; V153-S156 PolarHBondContact O-OG 3.41Å |
| 154 | D | 38.9 | Very low | 34.8 | Very low | 120 Ų | 120 | 125 Ų | 125 | 64% | 0.642 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -66.2 | -24.8 | 177 | -68.2 | -22.7 | 0 | 0 | 0 | 113 | Q150 | Q150-D154 PolarHBondContact O-N 2.94Å |
| 155 | R | 39 | Very low | 34.3 | Very low | 231 Ų | 231 | 126 Ų | 126 | 87% | 0.872 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -14.4 | 175.5 | -81.6 | -177.5 | 176.8 | -161.3 | -0.9 | 113.8 | R151 Q152 V153 | R151-R155 WeakPolarHBondContact O-CG 3.26Å; Q152-R155 PolarHBondContact O-N 2.73Å; V153-R155 PolarHBondContact O-N 2.92Å |
| 156 | S | 38.2 | Very low | 34 | Very low | 72 Ų | 72 | 126.8 Ų | 126.8 | 50% | 0.503 | 66% | 0.663 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -90.5 | -0.5 | -179.3 | 32 | 0 | 0 | 0 | 0 | 115.2 | Q152 V153 T158 | Q152-S156 PolarHBondContact O-N 2.96Å; Q152-S156 PolarHBondContact O-OG 3.4Å; V153-S156 WeakPolarHBondContact CA-OG 3.26Å; V153-S156 PolarHBondContact O-N 3.16Å; V153-S156 VanDerWaalsContact O-N 3.12Å; V153-S156 PolarHBondContact O-OG 3.41Å; S156-T158 PolarHBondContact O-N 3.27Å |
| 157 | G | 28.8 | Very low | 33.4 | Very low | 74 Ų | 74 | 127.1 Ų | 127.1 | 76% | 0.763 | 67% | 0.674 | S | S | * | * | trans | 65.4 | 6.4 | 169.2 | 0 | 0 | 0 | 0 | 0 | 116.3 | ||||
| 158 | T | 30.4 | Very low | 32.9 | Very low | 108 Ų | 108 | 131.5 Ų | 131.5 | 66% | 0.663 | 70% | 0.698 | S | S | * | * | trans | -99.6 | 102.4 | 174.5 | 28.1 | 0 | 0 | 0 | 0 | 110.3 | S156 | S156-T158 PolarHBondContact O-N 3.27Š| ||
| 159 | Q | 27.6 | Very low | 32.2 | Very low | 185 Ų | 185 | 137.1 Ų | 137.1 | 86% | 0.864 | 72% | 0.717 | S | S | * | * | trans | -83.1 | 108 | 176.8 | -155.6 | 171.3 | 5.7 | 0 | 0 | 108.6 | ||||
| 160 | C | 25.4 | Very low | 31.9 | Very low | 125 Ų | 125 | 137.9 Ų | 137.9 | 85% | 0.845 | 73% | 0.732 | S | S | * | * | trans | -108.6 | 106.2 | 169.2 | -97.5 | 0 | 0 | 0 | 0 | 109.3 | ||||
| 161 | T | 29.1 | Very low | 31 | Very low | 121 Ų | 121 | 141.6 Ų | 141.6 | 74% | 0.742 | 75% | 0.747 | S | S | * | * | trans | -75.3 | 124.5 | 167.2 | 44.2 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 162 | I | 29.8 | Very low | 30.6 | Very low | 161 Ų | 161 | 140.6 Ų | 140.6 | 83% | 0.826 | 76% | 0.76 | S | S | * | * | trans | -91.3 | 103.8 | 170.1 | -60.4 | 173.9 | 0 | 0 | 0 | 106.6 | ||||
| 163 | E | 30.3 | Very low | 30 | Very low | 184 Ų | 184 | 141.2 Ų | 141.2 | 86% | 0.86 | 77% | 0.768 | S | S | * | * | trans | -95.7 | 120.9 | 162.4 | -82.8 | -174.3 | 159.9 | 0 | 0 | 108.8 | N165 | E163-N165 PolarHBondContact O-N 3.26Š| ||
| 164 | E | 28.9 | Very low | 29.3 | Very low | 169 Ų | 169 | 147.3 Ų | 147.3 | 79% | 0.79 | 79% | 0.793 | S | S | * | * | trans | -66.9 | 120 | 166.7 | -67.2 | 175.5 | 150.4 | 0 | 0 | 108.8 | ||||
| 165 | N | 31.4 | Very low | 28.6 | Very low | 152 Ų | 152 | 150.7 Ų | 150.7 | 81% | 0.813 | 80% | 0.802 | S | S | * | * | 174.9 | 124.3 | 128.7 | -88 | -38.4 | 0 | 0 | 0 | 113.3 | E163 | E163-N165 PolarHBondContact O-N 3.26Š| |||
| 166 | N | 29.6 | Very low | 27.8 | Very low | 139 Ų | 139 | 144.6 Ų | 144.6 | 74% | 0.743 | 80% | 0.795 | S | S | * | * | trans | 4.5 | 132.7 | 156.1 | -63.5 | -34.2 | 0 | 0 | 0 | 121.2 | ||||
| 167 | T | 24.9 | Very low | 27.2 | Very low | 132 Ų | 132 | 148.9 Ų | 148.9 | 81% | 0.81 | 81% | 0.809 | S | S | * | * | trans | 65 | 111.5 | 149.2 | 49.5 | 0 | 0 | 0 | 0 | 117.9 | ||||
| 168 | V | 27.1 | Very low | 27.1 | Very low | 136 Ų | 136 | 152.7 Ų | 152.7 | 82% | 0.824 | 81% | 0.811 | S | S | * | * | -177.7 | 132.5 | 128 | 151.8 | 0 | 0 | 0 | 0 | 109.4 | |||||
| 169 | Q | 23.4 | Very low | 26.9 | Very low | 188 Ų | 188 | 155.9 Ų | 155.9 | 88% | 0.879 | 82% | 0.824 | S | S | * | * | trans | -60.1 | 125.4 | 175 | -65.8 | 168.5 | -30.9 | 0 | 0 | 111.8 | ||||
| 170 | T | 27.8 | Very low | 26.9 | Very low | 139 Ų | 139 | 155.9 Ų | 155.9 | 85% | 0.853 | 82% | 0.821 | S | S | * | * | trans | -154.7 | 150 | 151 | 48.9 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 171 | K | 24.2 | Very low | 27.1 | Very low | 188 Ų | 188 | 160.1 Ų | 160.1 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -62.8 | 145.3 | -164.4 | -61.1 | 164.6 | 175.1 | 175.9 | 0 | 115.1 | ||
| 172 | P | 29.5 | Very low | 27.1 | Very low | 132 Ų | 132 | 159.4 Ų | 159.4 | 86% | 0.857 | 83% | 0.825 | S | S | * | * | P | Polyproline II helix | trans | -88.2 | 124.9 | 170.4 | 32 | -27.2 | 0 | 0 | 0 | 112.1 | ||
| 173 | N | 26.5 | Very low | 27.1 | Very low | 153 Ų | 153 | 159.8 Ų | 159.8 | 82% | 0.818 | 82% | 0.816 | S | S | * | * | P | Polyproline II helix | trans | -79.9 | 127.4 | 174 | -69.4 | -37.8 | 0 | 0 | 0 | 111.5 | ||
| 174 | Q | 23.5 | Very low | 27 | Very low | 185 Ų | 185 | 154.7 Ų | 154.7 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | trans | 8.9 | 109.8 | 136.6 | -153.1 | 166.2 | 16.3 | 0 | 0 | 117.9 | ||||
| 175 | F | 24.8 | Very low | 27.1 | Very low | 191 Ų | 191 | 153.7 Ų | 153.7 | 84% | 0.838 | 80% | 0.799 | S | S | * | * | trans | -131.4 | 103.2 | 157.4 | -142.6 | -95.4 | 0 | 0 | 0 | 110.2 | M177 | F175-M177 HydrophobicContact CD1-CG 4.11Å; F175-M177 HydrophobicContact CE1-CG 4.14Å; F175-M177 HydrophobicContact CE1-SD 4.38Å | ||
| 176 | S | 22.6 | Very low | 27.1 | Very low | 102 Ų | 102 | 152 Ų | 152 | 71% | 0.713 | 79% | 0.79 | S | S | * | * | trans | -87.5 | 114.5 | 174 | 63.4 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 177 | M | 26.6 | Very low | 27.2 | Very low | 163 Ų | 163 | 149.7 Ų | 149.7 | 80% | 0.803 | 78% | 0.777 | S | S | * | * | trans | -105 | 123.2 | 166 | -85.4 | -179.2 | 73 | 0 | 0 | 111 | F175 L179 | F175-M177 HydrophobicContact CD1-CG 4.11Å; F175-M177 HydrophobicContact CE1-CG 4.14Å; F175-M177 HydrophobicContact CE1-SD 4.38Å; M177-L179 PolarHBondContact O-N 3.38Å; M177-L179 VanDerWaalsContact O-N 3.12Å | ||
| 178 | N | 25.3 | Very low | 27.5 | Very low | 153 Ų | 153 | 146.5 Ų | 146.5 | 82% | 0.818 | 76% | 0.76 | S | S | * | * | trans | -60 | 100 | -176.4 | -79.1 | -68.8 | 0 | 0 | 0 | 113.4 | K180 | N178-K180 VanDerWaalsContact C-N 3.32Å; N178-K180 PolarHBondContact O-N 2.95Å | ||
| 179 | L | 27.4 | Very low | 27.5 | Very low | 176 Ų | 176 | 144 Ų | 144 | 92% | 0.921 | 75% | 0.748 | S | S | * | * | trans | -85.1 | 67.5 | 159.3 | -81.2 | 164.9 | 0 | 0 | 0 | 110.5 | M177 | M177-L179 PolarHBondContact O-N 3.38Å; M177-L179 VanDerWaalsContact O-N 3.12Å | ||
| 180 | K | 26.9 | Very low | 27.9 | Very low | 184 Ų | 184 | 143.2 Ų | 143.2 | 80% | 0.8 | 74% | 0.742 | S | S | * | * | trans | -148.8 | 118.6 | 166.3 | -78.3 | -171.6 | 178 | 174.9 | 0 | 109.4 | N178 | N178-K180 VanDerWaalsContact C-N 3.32Å; N178-K180 PolarHBondContact O-N 2.95Å | ||
| 181 | K | 28.9 | Very low | 28.1 | Very low | 214 Ų | 214 | 141.4 Ų | 141.4 | 93% | 0.93 | 73% | 0.725 | S | S | * | * | S | Bend | trans | 152 | 24.4 | 142.3 | -81 | 174.7 | 179.2 | -176.4 | 0 | 118.8 | ||
| 182 | S | 29.7 | Very low | 28.4 | Very low | 106 Ų | 106 | 138.3 Ų | 138.3 | 74% | 0.741 | 72% | 0.717 | S | S | * | * | trans | -141.2 | 15.4 | 175.1 | 79.4 | 0 | 0 | 0 | 0 | 118.6 | ||||
| 183 | W | 29.2 | Very low | 28.6 | Very low | 169 Ų | 169 | 135 Ų | 135 | 64% | 0.64 | 70% | 0.701 | S | S | * | * | S | Bend | trans | -102.7 | 132.1 | 175.4 | -70.7 | 78.9 | 0 | 0 | 0 | 110.4 | N185 | W183-N185 PolarHBondContact O-N 3Š|
| 184 | P | 29.8 | Very low | 29 | Very low | 77 Ų | 77 | 133.9 Ų | 133.9 | 50% | 0.5 | 70% | 0.695 | S | S | . | * | trans | -63 | 125 | 174.7 | 27.8 | -33.2 | 0 | 0 | 0 | 108.8 | N186 L187 | P184-N186 WeakPolarHBondContact CB-OD1 3.5Å; P184-N186 PolarHBondContact O-N 3.1Å; P184-N186 PolarHBondContact O-OD1 3.27Å; P184-L187 PolarHBondContact O-N 3.39Å; P184-L187 VanDerWaalsContact O-N 3.07Å | ||
| 185 | N | 29.4 | Very low | 29.3 | Very low | 148 Ų | 148 | 130.1 Ų | 130.1 | 79% | 0.791 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -59 | -9.7 | -167.2 | -69.7 | -27.8 | 0 | 0 | 0 | 115 | W183 | W183-N185 PolarHBondContact O-N 3Å |
| 186 | N | 33.2 | Very low | 29.6 | Very low | 117 Ų | 117 | 128.6 Ų | 128.6 | 63% | 0.626 | 68% | 0.684 | S | S | * | * | H | α-helix | trans | -91.7 | -12.9 | 179.9 | 54.1 | -8.7 | 0 | 0 | 0 | 114.5 | P184 | P184-N186 WeakPolarHBondContact CB-OD1 3.5Å; P184-N186 PolarHBondContact O-N 3.1Å; P184-N186 PolarHBondContact O-OD1 3.27Å |
| 187 | L | 30.6 | Very low | 30.2 | Very low | 91 Ų | 91 | 128.7 Ų | 128.7 | 48% | 0.476 | 68% | 0.679 | S | S | . | * | H | α-helix | trans | -85.2 | -36 | 169.1 | -105 | 78.8 | 0 | 0 | 0 | 111.9 | P184 K190 M191 | P184-L187 PolarHBondContact O-N 3.39Å; P184-L187 VanDerWaalsContact O-N 3.07Å; L187-K190 PolarHBondContact O-N 3.37Å; L187-M191 VanDerWaalsContact O-CG 3.29Å; L187-M191 WeakPolarHBondContact O-CG 3.41Å; L187-M191 PolarHBondContact O-N 3.22Å |
| 188 | C | 30.9 | Very low | 30.6 | Very low | 65 Ų | 65 | 125.7 Ų | 125.7 | 44% | 0.439 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -68.1 | -36.8 | -174.1 | -163.5 | 0 | 0 | 0 | 0 | 112.7 | K190 M191 N192 | C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 3Å; C188-M191 PolarHBondContact O-N 3.02Å; C188-N192 PolarHBondContact O-N 3Å |
| 189 | S | 27.9 | Very low | 31.5 | Very low | 84 Ų | 84 | 119.3 Ų | 119.3 | 59% | 0.587 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.9 | -26.8 | 178.6 | 47.7 | 0 | 0 | 0 | 0 | 113.7 | ||
| 190 | K | 32.4 | Very low | 32.5 | Very low | 171 Ų | 171 | 117.6 Ų | 117.6 | 74% | 0.743 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -84.4 | -25.6 | 175.7 | -143.9 | 171.8 | -172.1 | 176.7 | 0 | 112.5 | L187 C188 | L187-K190 PolarHBondContact O-N 3.37Å; C188-K190 VanDerWaalsContact C-N 3.32Å; C188-K190 PolarHBondContact O-N 3Å |
| 191 | M | 31.2 | Very low | 34 | Very low | 101 Ų | 101 | 110.1 Ų | 110.1 | 50% | 0.498 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -77.1 | -23.9 | 177.6 | -73.6 | 169.6 | 63.1 | 0 | 0 | 113.7 | L187 C188 A193 | L187-M191 VanDerWaalsContact O-CG 3.29Å; L187-M191 WeakPolarHBondContact O-CG 3.41Å; L187-M191 PolarHBondContact O-N 3.22Å; C188-M191 PolarHBondContact O-N 3.02Å; M191-A193 VanDerWaalsContact C-N 3.32Å; M191-A193 PolarHBondContact O-N 3.34Å |
| 192 | N | 31.1 | Very low | 35.7 | Very low | 122 Ų | 122 | 105.7 Ų | 105.7 | 65% | 0.652 | 59% | 0.589 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -74.1 | -16 | -178.1 | -77.8 | -14.9 | 0 | 0 | 0 | 114.6 | C188 | C188-N192 PolarHBondContact O-N 3Š|
| 193 | A | 33 | Very low | 37.5 | Very low | 64 Ų | 64 | 101.5 Ų | 101.5 | 53% | 0.529 | 56% | 0.558 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -88.7 | -17.2 | 178.1 | 0 | 0 | 0 | 0 | 0 | 113.7 | M191 | M191-A193 VanDerWaalsContact C-N 3.32Å; M191-A193 PolarHBondContact O-N 3.34Å |
| 194 | D | 34.9 | Very low | 39.5 | Very low | 129 Ų | 129 | 95.5 Ų | 95.5 | 69% | 0.69 | 54% | 0.541 | S | S | * | . | S | Bend | trans | -107.2 | 3.5 | -176.7 | -70 | -22.1 | 0 | 0 | 0 | 113.4 | E196 | D194-E196 VanDerWaalsContact C-N 3.29Å; D194-E196 PolarHBondContact O-N 2.83Å; D194-E196 VanDerWaalsContact O-N 3.11Å |
| 195 | C | 29.4 | Very low | 41.6 | Very low | 105 Ų | 105 | 93.4 Ų | 93.4 | 71% | 0.709 | 53% | 0.525 | S | S | * | . | trans | -84.4 | 67.9 | 176.7 | -92.4 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 196 | E | 31.2 | Very low | 44.4 | Very low | 160 Ų | 160 | 86.6 Ų | 86.6 | 75% | 0.748 | 49% | 0.489 | S | S | * | . | trans | -128.6 | 123.7 | 171.4 | -120.4 | 177 | -175 | 0 | 0 | 111.2 | D194 | D194-E196 VanDerWaalsContact C-N 3.29Å; D194-E196 PolarHBondContact O-N 2.83Å; D194-E196 VanDerWaalsContact O-N 3.11Å | ||
| 197 | V | 36 | Very low | 47.1 | Very low | 103 Ų | 103 | 82.8 Ų | 82.8 | 62% | 0.624 | 47% | 0.466 | S | S | * | . | trans | 81.3 | 97.7 | 175.4 | -162.4 | 0 | 0 | 0 | 0 | 116.1 | V199 | V197-V199 HydrophobicContact CG1-CG2 3.95Š| ||
| 198 | L | 35.1 | Very low | 50.2 | Low | 100 Ų | 100 | 78.6 Ų | 78.6 | 52% | 0.524 | 45% | 0.445 | S | S | . | . | trans | -73 | 121.4 | 162.3 | -65.4 | 171.3 | 0 | 0 | 0 | 108.8 | H91 I92 | H91-L198 HydrophobicContact CB-CD2 3.51Å; I92-L198 HydrophobicContact CG1-CB 4.25Å; I92-L198 HydrophobicContact CG1-CD2 3.85Å | ||
| 199 | V | 43.6 | Very low | 53.2 | Low | 20 Ų | 20 | 79.2 Ų | 79.2 | 12% | 0.121 | 44% | 0.444 | C | S | . | . | trans | -109.5 | 102.3 | -175.1 | -179.1 | 0 | 0 | 0 | 0 | 109.9 | I92 V197 L201 R364 A367 | I92-V199 WeakPolarHBondContact CD1-O 3.4Å; V197-V199 HydrophobicContact CG1-CG2 3.95Å; V199-L201 VanDerWaalsContact C-N 3.26Å; V199-L201 HydrophobicContact CG1-CD2 3.68Å; V199-L201 HydrophobicContact CG1-CG 3.72Å; V199-L201 PolarHBondContact O-N 3.43Å; V199-R364 HydrophobicContact CG2-CB 4.41Å; V199-R364 HydrophobicContact CG2-CG 4.49Å; V199-A367 HydrophobicContact CB-CB 4.33Å; V199-A367 HydrophobicContact CG1-CB 2.95Å | ||
| 200 | N | 47.6 | Very low | 56.2 | Low | 139 Ų | 139 | 80 Ų | 80 | 74% | 0.743 | 44% | 0.438 | S | S | * | . | trans | -70.8 | 83.4 | 175 | -165.4 | -1.8 | 0 | 0 | 0 | 110.9 | I92 S202 | I92-N200 HydrophobicContact CG2-CB 4Å; N200-S202 PolarHBondContact O-N 3.22Å | ||
| 201 | L | 58.2 | Low | 59.1 | Low | 28 Ų | 28 | 73.5 Ų | 73.5 | 15% | 0.147 | 41% | 0.414 | C | S | . | . | trans | -78.4 | 108.2 | 171.6 | -65.5 | 179.1 | 0 | 0 | 0 | 107.9 | V199 I203 L217 D363 Y366 A367 | V199-L201 VanDerWaalsContact C-N 3.26Å; V199-L201 HydrophobicContact CG1-CD2 3.68Å; V199-L201 HydrophobicContact CG1-CG 3.72Å; V199-L201 PolarHBondContact O-N 3.43Å; L201-I203 HydrophobicContact CB-CB 4.29Å; L201-I203 HydrophobicContact CB-CD1 4.1Å; L201-I203 HydrophobicContact CB-CG1 4.09Å; L201-I203 HydrophobicContact CD1-CD1 4.13Å; L201-I203 HydrophobicContact CD2-CD1 4.06Å; L201-I203 HydrophobicContact CG-CD1 4.33Å; L201-I203 PolarHBondContact O-N 3.28Å; L201-L217 HydrophobicContact CD1-CD1 3.8Å; L201-D363 HydrophobicContact CD1-CB 3.68Å; L201-Y366 HydrophobicContact CD2-CD1 3.63Å; L201-Y366 HydrophobicContact CD2-CE1 4.25Å; L201-A367 HydrophobicContact CD2-CB 3.65Å | ||
| 202 | S | 64.6 | Low | 62.1 | Low | 120 Ų | 120 | 74.7 Ų | 74.7 | 84% | 0.839 | 42% | 0.421 | S | S | * | . | trans | -62.9 | 16.6 | 166.3 | 55.1 | 0 | 0 | 0 | 0 | 113.8 | N200 | N200-S202 PolarHBondContact O-N 3.22Š| ||
| 203 | I | 68.6 | Low | 65.1 | Low | 18 Ų | 18 | 70.1 Ų | 70.1 | 9% | 0.092 | 40% | 0.397 | C | S | . | . | S | Bend | trans | -88.2 | 124.2 | -178.3 | -54.2 | 171.3 | 0 | 0 | 0 | 109.1 | L201 I205 L217 Y366 | L201-I203 HydrophobicContact CB-CB 4.29Å; L201-I203 HydrophobicContact CB-CD1 4.1Å; L201-I203 HydrophobicContact CB-CG1 4.09Å; L201-I203 HydrophobicContact CD1-CD1 4.13Å; L201-I203 HydrophobicContact CD2-CD1 4.06Å; L201-I203 HydrophobicContact CG-CD1 4.33Å; L201-I203 PolarHBondContact O-N 3.28Å; I203-I205 PolarHBondContact O-N 2.8Å; I203-L217 HydrophobicContact CD1-CD1 4.22Å; I203-L217 HydrophobicContact CD1-CD2 4.06Å; I203-Y366 HydrophobicContact CD1-CD1 3.41Å; I203-Y366 VanDerWaalsContact CD1-CD1 3.41Å; I203-Y366 HydrophobicContact CD1-CD2 4.33Å; I203-Y366 HydrophobicContact CD1-CE1 3.12Å; I203-Y366 HydrophobicContact CD1-CE2 4.08Å; I203-Y366 HydrophobicContact CD1-CG 4.02Å; I203-Y366 VanDerWaalsContact CD1-CZ 3.48Å; I203-Y366 HydrophobicContact CG1-CD1 4.49Å; I203-Y366 HydrophobicContact CG1-CE1 3.84Å |
| 204 | P | 70.3 | Confident | 67.8 | Low | 44 Ų | 44 | 67.6 Ų | 67.6 | 29% | 0.286 | 37% | 0.374 | S | S | . | . | P | Polyproline II helix | trans | -54.3 | 134.6 | 173.8 | -25.1 | 33.6 | 0 | 0 | 0 | 112.4 | V106 R206 | V106-P204 HydrophobicContact CG2-CB 3.59Å; V106-P204 HydrophobicContact CG2-CG 4.36Å; P204-R206 PolarHBondContact O-N 3.4Å |
| 205 | I | 75 | Confident | 70.5 | Confident | 32 Ų | 32 | 61.9 Ų | 61.9 | 16% | 0.164 | 34% | 0.343 | C | S | . | . | P | Polyproline II helix | trans | -69.3 | 124 | 174.3 | -56.1 | -178.2 | 0 | 0 | 0 | 108.1 | P103 Y105 V106 I203 E214 | P103-I205 HydrophobicContact CB-CD1 4.06Å; P103-I205 HydrophobicContact CG-CD1 4.48Å; Y105-I205 HydrophobicContact CD1-CG2 4.37Å; Y105-I205 HydrophobicContact CE1-CG2 4.26Å; V106-I205 PolarHBondContact N-O 3.29Å; I203-I205 PolarHBondContact O-N 2.8Å; I205-E214 HydrophobicContact CG2-CB 4.11Å; I205-E214 HydrophobicContact CG2-CG 3.87Å |
| 206 | R | 87.8 | Confident | 73.4 | Confident | 6 Ų | 6 | 57.2 Ų | 57.2 | 2% | 0.023 | 31% | 0.311 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -82 | 139.6 | 173.9 | -68.3 | -174.4 | -64.5 | 145 | 9.7 | 109.8 | E108 P204 Q215 P216 C219 T330 | E108-R206 WeakPolarHBondContact OE1-CD 3.27Å; E108-R206 IonicContact OE1-CZ 3.1Å; E108-R206 IonicContact OE1-NE 3.56Å; E108-R206 IonicContact OE1-NH1 2.87Å; E108-R206 PolarHBondContact OE1-NH1 3.4Å; E108-R206 IonicContact OE2-CZ 3.92Å; E108-R206 IonicContact OE2-NH1 3.68Å; E108-R206 PolarHBondContact OE2-NH1 2.92Å; P204-R206 PolarHBondContact O-N 3.4Å; R206-Q215 HydrophobicContact CB-CB 4.11Å; R206-Q215 PolarHBondContact O-N 2.87Å; R206-P216 PolarHBondContact NH2-O 3.45Å; R206-C219 PolarHBondContact NH1-O 3.21Å; R206-C219 VanDerWaalsContact NH1-O 3.16Å; R206-C219 PolarHBondContact NH2-O 3.05Å; R206-T330 WeakPolarHBondContact CD-OG1 3.48Å; R206-T330 HydrophobicContact CG-CG2 4.4Å; R206-T330 WeakPolarHBondContact CG-OG1 3.21Å |
| 207 | F | 90.4 | Very high | 76.2 | Confident | 36 Ų | 36 | 49.8 Ų | 49.8 | 16% | 0.158 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 131.7 | 178.5 | -171.7 | -95.1 | 0 | 0 | 0 | 110.7 | Y105 V106 N209 L212 E214 | Y105-F207 HydrophobicContact CD1-CB 3.57Å; Y105-F207 HydrophobicContact CD1-CD2 4Å; Y105-F207 HydrophobicContact CD1-CG 4.09Å; Y105-F207 HydrophobicContact CE1-CB 4.35Å; Y105-F207 AromaticContact CE1-CD2 3.95Å; Y105-F207 HydrophobicContact CE1-CD2 3.95Å; Y105-F207 HydrophobicContact CE1-CG 4.5Å; Y105-F207 HydrophobicContact CG-CB 3.87Å; Y105-F207 HydrophobicContact CG-CD2 4.49Å; Y105-F207 HydrophobicContact CG-CG 4.31Å; V106-F207 PolarHBondContact O-N 3.39Å; F207-N209 WeakPolarHBondContact CD1-OD1 3.22Å; F207-L212 HydrophobicContact CE1-CD2 4.22Å; F207-L212 VanDerWaalsContact CZ-C 3.49Å; F207-L212 HydrophobicContact CZ-CB 4.23Å; F207-L212 HydrophobicContact CZ-CD2 4.4Å; F207-E214 HydrophobicContact CD2-CG 3.95Å |
| 208 | C | 94.5 | Very high | 78.9 | Confident | 3 Ų | 3 | 44.9 Ų | 44.9 | 2% | 0.02 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -90 | 111 | 175.6 | -179 | 0 | 0 | 0 | 0 | 110.6 | H210 C211 L212 L213 Q215 H221 C228 | C208-H210 VanDerWaalsContact C-N 3.26Å; C208-H210 PolarHBondContact O-N 3.36Å; C208-C211 HydrophobicContact CB-CB 4.23Å; C208-C211 PolarHBondContact O-N 3.31Å; C208-C211 PolarHBondContact SG-N 3.41Å; C208-L212 VanDerWaalsContact O-CA 3.28Å; C208-L212 WeakPolarHBondContact O-CA 3.26Å; C208-L212 PolarHBondContact O-N 3.39Å; C208-L213 PolarHBondContact N-O 3.3Å; C208-Q215 HydrophobicContact CB-CG 3.87Å; C208-H221 PolarHBondContact SG-ND1 3.02Å; C208-C228 WeakPolarHBondContact CB-SG 3.46Å; C208-C228 PolarHBondContact SG-SG 3.38Å |
| 209 | N | 93.7 | Very high | 81.8 | Confident | 79 Ų | 79 | 40.1 Ų | 40.1 | 42% | 0.422 | 22% | 0.222 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -23.2 | 176.9 | -72.3 | -24.1 | 0 | 0 | 0 | 114.3 | N107 F207 L212 | N107-N209 PolarHBondContact ND2-ND2 3.37Å; N107-N209 PolarHBondContact OD1-ND2 2.99Å; F207-N209 WeakPolarHBondContact CD1-OD1 3.22Å; N209-L212 WeakPolarHBondContact O-CD2 3.44Å |
| 210 | H | 91.9 | Very high | 84.2 | Confident | 100 Ų | 100 | 42.3 Ų | 42.3 | 46% | 0.463 | 23% | 0.228 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -79.7 | -40.6 | 176.8 | -66.5 | -72.1 | 0 | 0 | 0 | 112.9 | Y109 C208 H221 | Y109-H210 AromaticContact CD2-NE2 3.99Å; Y109-H210 AromaticContact CE1-NE2 3.43Å; Y109-H210 WeakPolarHBondContact CE1-NE2 3.39Å; Y109-H210 AromaticContact CE2-CD2 3.26Å; Y109-H210 WeakPolarHBondContact CE2-CD2 3.39Å; Y109-H210 AromaticContact CE2-NE2 3.36Å; Y109-H210 WeakPolarHBondContact CE2-NE2 3.43Å; Y109-H210 AromaticContact CZ-CD2 3.32Å; Y109-H210 AromaticContact CZ-NE2 3.02Å; Y109-H210 PolarHBondContact OH-CD2 3.29Å; Y109-H210 VanDerWaalsContact OH-CD2 3.27Å; Y109-H210 PolarHBondContact OH-NE2 2.79Å; Y109-H210 VanDerWaalsContact OH-NE2 3.16Å; C208-H210 VanDerWaalsContact C-N 3.26Å; C208-H210 PolarHBondContact O-N 3.36Å; H210-H221 VanDerWaalsContact CB-CE1 3.42Å; H210-H221 WeakPolarHBondContact CB-CE1 3.49Å |
| 211 | C | 93.8 | Very high | 86.6 | Confident | 35 Ų | 35 | 36.1 Ų | 36.1 | 24% | 0.236 | 20% | 0.195 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | -16.6 | -179.1 | -65.2 | 0 | 0 | 0 | 0 | 113 | C208 L213 H221 | C208-C211 HydrophobicContact CB-CB 4.23Å; C208-C211 PolarHBondContact O-N 3.31Å; C208-C211 PolarHBondContact SG-N 3.41Å; C211-L213 VanDerWaalsContact C-N 3.28Å; C211-L213 HydrophobicContact CB-CB 4.3Å; C211-L213 HydrophobicContact CB-CD1 4.05Å; C211-L213 HydrophobicContact CB-CG 4.02Å; C211-L213 WeakPolarHBondContact O-CG 3.36Å; C211-L213 PolarHBondContact O-N 2.85Å; C211-H221 VanDerWaalsContact SG-CE1 3.56Å; C211-H221 PolarHBondContact SG-ND1 3.07Å |
| 212 | L | 94.3 | Very high | 88.4 | Confident | 125 Ų | 125 | 34.9 Ų | 34.9 | 65% | 0.654 | 19% | 0.188 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 57.2 | 40.8 | -171.1 | -53.4 | 176.4 | 0 | 0 | 0 | 112.3 | F207 C208 N209 | F207-L212 HydrophobicContact CE1-CD2 4.22Å; F207-L212 VanDerWaalsContact CZ-C 3.49Å; F207-L212 HydrophobicContact CZ-CB 4.23Å; F207-L212 HydrophobicContact CZ-CD2 4.4Å; C208-L212 VanDerWaalsContact O-CA 3.28Å; C208-L212 WeakPolarHBondContact O-CA 3.26Å; C208-L212 PolarHBondContact O-N 3.39Å; N209-L212 WeakPolarHBondContact O-CD2 3.44Å |
| 213 | L | 92.2 | Very high | 89.8 | Confident | 26 Ų | 26 | 32.3 Ų | 32.3 | 14% | 0.136 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127 | 143.3 | -177.5 | -60.9 | 177.9 | 0 | 0 | 0 | 110.8 | L77 A79 A82 C208 C211 | L77-L213 HydrophobicContact CD2-CB 4.02Å; L77-L213 HydrophobicContact CD2-CD1 4.08Å; L77-L213 HydrophobicContact CG-CD1 4.08Å; A79-L213 HydrophobicContact CB-CD2 3.97Å; A82-L213 HydrophobicContact CB-CB 4.08Å; A82-L213 HydrophobicContact CB-CD1 4.42Å; A82-L213 HydrophobicContact CB-CD2 3.9Å; A82-L213 HydrophobicContact CB-CG 4.35Å; C208-L213 PolarHBondContact N-O 3.3Å; C211-L213 VanDerWaalsContact C-N 3.28Å; C211-L213 HydrophobicContact CB-CB 4.3Å; C211-L213 HydrophobicContact CB-CD1 4.05Å; C211-L213 HydrophobicContact CB-CG 4.02Å; C211-L213 WeakPolarHBondContact O-CG 3.36Å; C211-L213 PolarHBondContact O-N 2.85Å |
| 214 | E | 90.3 | Very high | 90.8 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 6% | 0.056 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -68.8 | 128.2 | 165.3 | -76.7 | 171.9 | -160.7 | 0 | 0 | 110.4 | L77 R86 Y105 I205 F207 P216 | L77-E214 WeakPolarHBondContact CD2-O 3.49Å; R86-E214 VanDerWaalsContact CB-OE2 3.3Å; R86-E214 WeakPolarHBondContact CB-OE2 3.47Å; R86-E214 VanDerWaalsContact CG-OE2 3.26Å; R86-E214 WeakPolarHBondContact CG-OE2 3.37Å; R86-E214 IonicContact CZ-OE1 2.76Å; R86-E214 IonicContact CZ-OE2 3.78Å; R86-E214 IonicContact NE-OE1 3.98Å; R86-E214 PolarHBondContact NE-OE1 2.67Å; R86-E214 IonicContact NE-OE2 2.87Å; R86-E214 PolarHBondContact NE-OE2 3.43Å; R86-E214 VanDerWaalsContact NH2-CD 3.26Å; R86-E214 IonicContact NH2-OE1 3.94Å; R86-E214 PolarHBondContact NH2-OE1 3.4Å; R86-E214 IonicContact NH2-OE2 3.58Å; Y105-E214 HydrophobicContact CD1-CG 4.49Å; Y105-E214 HydrophobicContact CE1-CG 3.63Å; Y105-E214 VanDerWaalsContact CE1-OE1 3.31Å; Y105-E214 WeakPolarHBondContact CE1-OE1 3.41Å; Y105-E214 PolarHBondContact OH-OE1 2.85Å; I205-E214 HydrophobicContact CG2-CB 4.11Å; I205-E214 HydrophobicContact CG2-CG 3.87Å; F207-E214 HydrophobicContact CD2-CG 3.95Å; E214-P216 WeakPolarHBondContact O-CD 3.43Å |
| 215 | Q | 91.3 | Very high | 91.8 | Very high | 9 Ų | 9 | 32.9 Ų | 32.9 | 4% | 0.042 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.9 | 117.8 | -178.5 | -64.2 | 179.5 | -81.8 | 0 | 0 | 109.3 | R206 C208 C219 | R206-Q215 HydrophobicContact CB-CB 4.11Å; R206-Q215 PolarHBondContact O-N 2.87Å; C208-Q215 HydrophobicContact CB-CG 3.87Å; Q215-C219 HydrophobicContact CB-CB 4.11Å |
| 216 | P | 90 | Very high | 92.7 | Very high | 6 Ų | 6 | 35.3 Ų | 35.3 | 4% | 0.039 | 18% | 0.184 | C | C | . | . | P | Polyproline II helix | trans | -64.4 | 173.7 | 170.9 | 28.5 | -34.9 | 0 | 0 | 0 | 111.3 | L77 F85 R206 E214 R218 C219 L230 | L77-P216 HydrophobicContact CD1-CG 4.42Å; F85-P216 HydrophobicContact CB-CB 4.33Å; F85-P216 HydrophobicContact CD1-CB 3.83Å; F85-P216 HydrophobicContact CD1-CG 4.38Å; F85-P216 HydrophobicContact CD2-CB 3.98Å; F85-P216 HydrophobicContact CD2-CG 3.7Å; F85-P216 HydrophobicContact CE1-CB 4.06Å; F85-P216 HydrophobicContact CE1-CG 4.38Å; F85-P216 HydrophobicContact CE2-CB 4.25Å; F85-P216 HydrophobicContact CE2-CG 3.74Å; F85-P216 HydrophobicContact CG-CB 3.8Å; F85-P216 HydrophobicContact CG-CG 4.06Å; F85-P216 HydrophobicContact CZ-CB 4.28Å; F85-P216 HydrophobicContact CZ-CG 4.09Å; R206-P216 PolarHBondContact NH2-O 3.45Å; E214-P216 WeakPolarHBondContact O-CD 3.43Å; P216-R218 PolarHBondContact O-N 3.49Å; P216-C219 HydrophobicContact CG-CB 3.85Å; P216-C219 WeakPolarHBondContact O-CB 3.21Å; P216-C219 PolarHBondContact O-N 3.3Å; P216-L230 HydrophobicContact CG-CD2 3.58Å |
| 217 | L | 90.9 | Very high | 93.1 | Very high | 5 Ų | 5 | 41.7 Ų | 41.7 | 3% | 0.026 | 21% | 0.208 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54 | 146.1 | 173 | -86.8 | 95.1 | 0 | 0 | 0 | 110.2 | L201 I203 C219 Y331 F342 W362 D363 Y366 | L201-L217 HydrophobicContact CD1-CD1 3.8Å; I203-L217 HydrophobicContact CD1-CD1 4.22Å; I203-L217 HydrophobicContact CD1-CD2 4.06Å; L217-C219 PolarHBondContact O-N 3.48Å; L217-Y331 HydrophobicContact CD2-CD1 4.37Å; L217-Y331 HydrophobicContact CD2-CD2 3.89Å; L217-Y331 HydrophobicContact CD2-CE2 4.39Å; L217-Y331 HydrophobicContact CD2-CG 3.89Å; L217-Y331 HydrophobicContact CG-CD1 4.28Å; L217-Y331 HydrophobicContact CG-CG 4.26Å; L217-F342 HydrophobicContact CD2-CE1 4.3Å; L217-F342 HydrophobicContact CD2-CZ 3.97Å; L217-W362 HydrophobicContact CB-CB 4.32Å; L217-D363 HydrophobicContact CD1-CB 4.36Å; L217-D363 WeakPolarHBondContact CD1-OD1 3.41Å; L217-Y366 HydrophobicContact CD2-CD1 4.45Å; L217-Y366 HydrophobicContact CD2-CD2 3.51Å; L217-Y366 HydrophobicContact CD2-CE2 4.24Å; L217-Y366 HydrophobicContact CD2-CG 3.63Å |
| 218 | R | 93.8 | Very high | 93.4 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 20% | 0.201 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 63.7 | 2.7 | 179.4 | -36.7 | -177 | 72.7 | 177.3 | 5.2 | 115.7 | P216 K231 F232 N317 E322 Y331 F342 W362 | P216-R218 PolarHBondContact O-N 3.49Å; R218-K231 HydrophobicContact CB-CG 4.49Å; R218-K231 CarbonylContact O-C 3.57Å; R218-K231 WeakPolarHBondContact O-CA 3.41Å; R218-K231 PolarHBondContact O-N 2.97Å; R218-F232 PolarHBondContact O-N 3.05Å; R218-N317 PolarHBondContact NH1-OD1 2.96Å; R218-N317 VanDerWaalsContact NH1-OD1 3.08Å; R218-N317 PolarHBondContact NH2-O 3.31Å; R218-E322 WeakPolarHBondContact CG-OE1 3.32Å; R218-E322 IonicContact CZ-OE1 3.8Å; R218-E322 IonicContact CZ-OE2 2.77Å; R218-E322 IonicContact NE-OE1 3.12Å; R218-E322 PolarHBondContact NE-OE1 3.32Å; R218-E322 IonicContact NE-OE2 3.76Å; R218-E322 PolarHBondContact NE-OE2 2.74Å; R218-E322 IonicContact NH2-OE1 3.98Å; R218-E322 IonicContact NH2-OE2 3.14Å; R218-E322 PolarHBondContact NH2-OE2 3.02Å; R218-Y331 WeakPolarHBondContact CA-OH 3.42Å; R218-F342 HydrophobicContact CG-CE1 4.18Å; R218-F342 HydrophobicContact CG-CE2 3.93Å; R218-F342 HydrophobicContact CG-CZ 3.63Å; R218-W362 HydrophobicContact CG-CB 4.46Å; R218-W362 HydrophobicContact CG-CG 4.35Å; R218-W362 VanDerWaalsContact NH1-CE3 3.32Å; R218-W362 VanDerWaalsContact NH1-CH2 3.29Å |
| 219 | C | 94.5 | Very high | 93.5 | Very high | 0 Ų | 0 | 39.9 Ų | 39.9 | 0% | 0 | 20% | 0.2 | C | C | . | . | trans | -83.5 | 143.8 | 173.6 | 179 | 0 | 0 | 0 | 0 | 111.4 | R206 Q215 P216 L217 V229 L230 | R206-C219 PolarHBondContact NH1-O 3.21Å; R206-C219 VanDerWaalsContact NH1-O 3.16Å; R206-C219 PolarHBondContact NH2-O 3.05Å; Q215-C219 HydrophobicContact CB-CB 4.11Å; P216-C219 HydrophobicContact CG-CB 3.85Å; P216-C219 WeakPolarHBondContact O-CB 3.21Å; P216-C219 PolarHBondContact O-N 3.3Å; L217-C219 PolarHBondContact O-N 3.48Å; C219-V229 VanDerWaalsContact CA-O 3.32Å; C219-V229 WeakPolarHBondContact CA-O 3.48Å; C219-V229 PolarHBondContact SG-O 3.31Å; C219-L230 HydrophobicContact CB-CD2 4.43Å | ||
| 220 | R | 95.4 | Very high | 93.5 | Very high | 65 Ų | 65 | 36.3 Ų | 36.3 | 25% | 0.245 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.2 | 146.5 | 173.7 | -169.1 | -173.3 | 174.7 | -153.6 | -3.1 | 111.4 | C228 V229 F232 W321 | R220-C228 CarbonylContact O-C 3.56Å; R220-C228 WeakPolarHBondContact O-CA 3.22Å; R220-V229 PolarHBondContact N-O 3.49Å; R220-V229 VanDerWaalsContact N-O 3.1Å; R220-V229 PolarHBondContact O-N 2.95Å; R220-F232 HydrophobicContact CB-CB 3.66Å; R220-F232 HydrophobicContact CB-CD1 3.92Å; R220-F232 HydrophobicContact CB-CD2 4.46Å; R220-F232 HydrophobicContact CB-CG 3.74Å; R220-F232 HydrophobicContact CG-CD1 4.37Å; R220-W321 HydrophobicContact CG-CZ2 4.4Å |
| 221 | H | 97.3 | Very high | 93.7 | Very high | 9 Ų | 9 | 32 Ų | 32 | 4% | 0.042 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.2 | 127.4 | 168.4 | -170.7 | 89.9 | 0 | 0 | 0 | 110.4 | C208 H210 C211 | C208-H221 PolarHBondContact SG-ND1 3.02Å; H210-H221 VanDerWaalsContact CB-CE1 3.42Å; H210-H221 WeakPolarHBondContact CB-CE1 3.49Å; C211-H221 VanDerWaalsContact SG-CE1 3.56Å; C211-H221 PolarHBondContact SG-ND1 3.07Å |
| 222 | C | 96.7 | Very high | 93.8 | Very high | 2 Ų | 2 | 30.7 Ų | 30.7 | 1% | 0.014 | 15% | 0.151 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117.3 | 169.8 | 173 | 0 | 0 | 0 | 0 | 109.6 | D224 C225 N226 R227 V229 F232 C242 | C222-D224 VanDerWaalsContact C-N 3.33Å; C222-D224 PolarHBondContact O-N 3.14Å; C222-C225 HydrophobicContact CB-CB 3.91Å; C222-C225 PolarHBondContact O-N 3.3Å; C222-C225 PolarHBondContact SG-N 3.5Å; C222-C225 VanDerWaalsContact SG-N 3.37Å; C222-N226 WeakPolarHBondContact O-CA 3.29Å; C222-N226 PolarHBondContact O-N 3.23Å; C222-R227 PolarHBondContact N-O 3.38Å; C222-R227 PolarHBondContact O-N 2.85Å; C222-V229 HydrophobicContact CB-CG2 4.37Å; C222-F232 HydrophobicContact CB-CE2 3.87Å; C222-C242 WeakPolarHBondContact CB-SG 3.21Å; C222-C242 PolarHBondContact SG-SG 3.39Å |
| 223 | P | 93.1 | Very high | 94 | Very high | 67 Ų | 67 | 24.8 Ų | 24.8 | 44% | 0.435 | 12% | 0.12 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.2 | -38.5 | 178.2 | -25.5 | 35.2 | 0 | 0 | 0 | 113.7 | Y6 N226 | Y6-P223 PolarHBondContact OH-O 3.01Å; P223-N226 PolarHBondContact O-N 2.93Å |
| 224 | D | 90.2 | Very high | 94.3 | Very high | 62 Ų | 62 | 25.5 Ų | 25.5 | 33% | 0.332 | 12% | 0.122 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.9 | -42.9 | 179.6 | -59.7 | -79.1 | 0 | 0 | 0 | 112.7 | R10 C222 N226 | R10-D224 VanDerWaalsContact CD-O 3.26Å; R10-D224 WeakPolarHBondContact CD-O 3.46Å; C222-D224 VanDerWaalsContact C-N 3.33Å; C222-D224 PolarHBondContact O-N 3.14Å; D224-N226 VanDerWaalsContact C-N 3.28Å |
| 225 | C | 91.5 | Very high | 94.6 | Very high | 11 Ų | 11 | 27.3 Ų | 27.3 | 7% | 0.074 | 13% | 0.131 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.8 | -22.1 | 174 | -66.4 | 0 | 0 | 0 | 0 | 111.5 | Y76 C222 R227 H235 C242 | Y76-C225 HydrophobicContact CE1-CB 3.89Å; Y76-C225 PolarHBondContact OH-SG 3.39Å; C222-C225 HydrophobicContact CB-CB 3.91Å; C222-C225 PolarHBondContact O-N 3.3Å; C222-C225 PolarHBondContact SG-N 3.5Å; C222-C225 VanDerWaalsContact SG-N 3.37Å; C225-R227 PolarHBondContact O-N 3.47Å; C225-H235 VanDerWaalsContact SG-CE1 3.58Å; C225-H235 PolarHBondContact SG-ND1 3.47Å; C225-C242 WeakPolarHBondContact CB-SG 3.49Å; C225-C242 WeakPolarHBondContact SG-CB 3.42Å; C225-C242 CovalentContact SG-SG 2.09Å; C225-C242 PolarHBondContact SG-SG 2.94Å |
| 226 | N | 93.7 | Very high | 94.8 | Very high | 83 Ų | 83 | 27.3 Ų | 27.3 | 44% | 0.444 | 13% | 0.132 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 50.2 | 41 | -169.4 | -168.3 | 36.4 | 0 | 0 | 0 | 113 | C222 P223 D224 | C222-N226 WeakPolarHBondContact O-CA 3.29Å; C222-N226 PolarHBondContact O-N 3.23Å; P223-N226 PolarHBondContact O-N 2.93Å; D224-N226 VanDerWaalsContact C-N 3.28Å |
| 227 | R | 94.9 | Very high | 94.8 | Very high | 141 Ų | 141 | 30.4 Ų | 30.4 | 53% | 0.532 | 15% | 0.152 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -150.3 | 148.9 | -177.6 | -66.8 | -174.2 | -177.4 | -157.1 | -1.4 | 110.1 | Y76 C222 C225 | Y76-R227 HydrophobicContact CD1-CB 3.46Å; Y76-R227 VanDerWaalsContact CD1-CB 3.46Å; Y76-R227 HydrophobicContact CD1-CG 4.25Å; Y76-R227 HydrophobicContact CE1-CB 3.74Å; Y76-R227 HydrophobicContact CE1-CG 4.43Å; Y76-R227 HydrophobicContact CG-CB 4.16Å; C222-R227 PolarHBondContact N-O 3.38Å; C222-R227 PolarHBondContact O-N 2.85Å; C225-R227 PolarHBondContact O-N 3.47Å |
| 228 | C | 97.2 | Very high | 94.9 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.8 | 134.3 | 165.8 | -73.9 | 0 | 0 | 0 | 0 | 110.6 | Y76 L77 C208 R220 | Y76-C228 CarbonylContact C-O 3.59Å; Y76-C228 VanDerWaalsContact CA-O 3.29Å; Y76-C228 WeakPolarHBondContact CA-O 3.24Å; L77-C228 HydrophobicContact CB-CB 3.78Å; L77-C228 HydrophobicContact CD2-CB 4.02Å; L77-C228 PolarHBondContact N-O 3.46Å; C208-C228 WeakPolarHBondContact CB-SG 3.46Å; C208-C228 PolarHBondContact SG-SG 3.38Å; R220-C228 CarbonylContact O-C 3.56Å; R220-C228 WeakPolarHBondContact O-CA 3.22Å |
| 229 | V | 96.4 | Very high | 94.8 | Very high | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 19% | 0.185 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.5 | 127.3 | -179.4 | -175.3 | 0 | 0 | 0 | 0 | 108.2 | P74 Y76 C219 R220 C222 F232 C242 | P74-V229 HydrophobicContact CB-CG1 4.24Å; P74-V229 HydrophobicContact CG-CG1 4.29Å; Y76-V229 HydrophobicContact CD1-CG2 3.79Å; Y76-V229 HydrophobicContact CE1-CG2 3.74Å; C219-V229 VanDerWaalsContact CA-O 3.32Å; C219-V229 WeakPolarHBondContact CA-O 3.48Å; C219-V229 PolarHBondContact SG-O 3.31Å; R220-V229 PolarHBondContact N-O 3.49Å; R220-V229 VanDerWaalsContact N-O 3.1Å; R220-V229 PolarHBondContact O-N 2.95Å; C222-V229 HydrophobicContact CB-CG2 4.37Å; V229-F232 HydrophobicContact CB-CB 4.3Å; V229-F232 HydrophobicContact CB-CD2 3.94Å; V229-F232 HydrophobicContact CG1-CD2 4.38Å; V229-F232 HydrophobicContact CG2-CD2 4.2Å; V229-C242 HydrophobicContact CG2-CB 3.93Å |
| 230 | L | 94.9 | Very high | 94.7 | Very high | 4 Ų | 4 | 39.7 Ų | 39.7 | 2% | 0.021 | 19% | 0.19 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | 141.3 | 173.6 | -65.1 | 167.9 | 0 | 0 | 0 | 110.3 | G75 L77 K81 F85 P216 C219 F232 E245 P359 | G75-L230 VanDerWaalsContact O-CB 3.24Å; G75-L230 WeakPolarHBondContact O-CB 3.22Å; G75-L230 VanDerWaalsContact O-CG 3.22Å; G75-L230 WeakPolarHBondContact O-CG 3.19Å; G75-L230 PolarHBondContact O-N 3.34Å; L77-L230 HydrophobicContact CB-CD2 4.5Å; L77-L230 HydrophobicContact CB-CG 4.48Å; L77-L230 HydrophobicContact CD1-CD2 3.87Å; L77-L230 HydrophobicContact CD1-CG 4.49Å; K81-L230 HydrophobicContact CD-CD1 4.03Å; F85-L230 HydrophobicContact CE2-CD2 3.88Å; F85-L230 HydrophobicContact CZ-CD2 4.19Å; P216-L230 HydrophobicContact CG-CD2 3.58Å; C219-L230 HydrophobicContact CB-CD2 4.43Å; L230-F232 VanDerWaalsContact C-N 3.26Å; L230-F232 PolarHBondContact O-N 3.32Å; L230-E245 HydrophobicContact CB-CB 4.25Å; L230-E245 WeakPolarHBondContact CB-OE2 3.46Å; L230-E245 PolarHBondContact O-N 3.43Å; L230-P359 HydrophobicContact CD1-CB 4.12Å; L230-P359 HydrophobicContact CD1-CG 4.43Å |
| 231 | K | 94.8 | Very high | 94.6 | Very high | 10 Ų | 10 | 36.8 Ų | 36.8 | 4% | 0.043 | 18% | 0.18 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 42.2 | 55 | -174 | -163.9 | -171.6 | 176.6 | 178.2 | 0 | 111.4 | R218 D233 G244 E245 N317 T319 W362 | R218-K231 HydrophobicContact CB-CG 4.49Å; R218-K231 CarbonylContact O-C 3.57Å; R218-K231 WeakPolarHBondContact O-CA 3.41Å; R218-K231 PolarHBondContact O-N 2.97Å; K231-D233 PolarHBondContact O-N 2.94Å; K231-G244 WeakPolarHBondContact O-CA 3.24Å; K231-E245 HydrophobicContact CB-CB 3.75Å; K231-E245 HydrophobicContact CB-CG 4.12Å; K231-E245 HydrophobicContact CD-CG 4.37Å; K231-N317 PolarHBondContact NZ-OD1 2.65Å; K231-T319 HydrophobicContact CG-CG2 3.94Å; K231-W362 HydrophobicContact CD-CZ2 3.79Å |
| 232 | F | 97.1 | Very high | 94.5 | Very high | 8 Ų | 8 | 36.4 Ų | 36.4 | 4% | 0.035 | 18% | 0.178 | C | C | . | . | trans | -61.6 | 125.6 | -174.8 | 174.6 | -90.7 | 0 | 0 | 0 | 110.4 | R218 R220 C222 V229 L230 H234 W321 | R218-F232 PolarHBondContact O-N 3.05Å; R220-F232 HydrophobicContact CB-CB 3.66Å; R220-F232 HydrophobicContact CB-CD1 3.92Å; R220-F232 HydrophobicContact CB-CD2 4.46Å; R220-F232 HydrophobicContact CB-CG 3.74Å; R220-F232 HydrophobicContact CG-CD1 4.37Å; C222-F232 HydrophobicContact CB-CE2 3.87Å; V229-F232 HydrophobicContact CB-CB 4.3Å; V229-F232 HydrophobicContact CB-CD2 3.94Å; V229-F232 HydrophobicContact CG1-CD2 4.38Å; V229-F232 HydrophobicContact CG2-CD2 4.2Å; L230-F232 VanDerWaalsContact C-N 3.26Å; L230-F232 PolarHBondContact O-N 3.32Å; F232-H234 VanDerWaalsContact CZ-CA 3.48Å; F232-W321 HydrophobicContact CD1-CB 3.84Å; F232-W321 HydrophobicContact CD1-CD2 4.44Å; F232-W321 AromaticContact CD1-CG 4Å; F232-W321 HydrophobicContact CD1-CG 4Å; F232-W321 HydrophobicContact CE1-CB 4.14Å; F232-W321 HydrophobicContact CE1-CG 4.35Å | ||
| 233 | D | 97.9 | Very high | 94.6 | Very high | 1 Ų | 1 | 36.3 Ų | 36.3 | 1% | 0.005 | 18% | 0.177 | C | C | . | . | trans | -99.4 | -66.1 | 174.1 | -165.8 | 82.3 | 0 | 0 | 0 | 111.2 | K231 I243 H248 H310 T319 T320 W321 | K231-D233 PolarHBondContact O-N 2.94Å; D233-I243 HydrophobicContact CB-CB 4.22Å; D233-I243 HydrophobicContact CB-CG2 4.02Å; D233-I243 WeakPolarHBondContact CB-O 3.28Å; D233-I243 PolarHBondContact N-O 3.26Å; D233-H248 IonicContact OD1-CE1 3.74Å; D233-H248 PolarHBondContact OD1-CE1 3.49Å; D233-H248 IonicContact OD1-ND1 3.71Å; D233-H248 IonicContact OD1-NE2 3.32Å; D233-H310 IonicContact OD2-CE1 2.95Å; D233-H310 PolarHBondContact OD2-CE1 3.08Å; D233-T319 HydrophobicContact CB-CG2 4.48Å; D233-T319 WeakPolarHBondContact OD1-CA 3.31Å; D233-T319 VanDerWaalsContact OD1-CB 3.28Å; D233-T319 WeakPolarHBondContact OD1-CB 3.37Å; D233-T320 PolarHBondContact OD1-N 3.16Å; D233-T320 PolarHBondContact OD1-OG1 2.94Å; D233-T320 VanDerWaalsContact OD2-CB 3.31Å; D233-T320 WeakPolarHBondContact OD2-CB 3.45Å; D233-T320 PolarHBondContact OD2-OG1 3.13Å; D233-W321 WeakPolarHBondContact O-CB 3.15Å; D233-W321 PolarHBondContact O-N 3.49Å | ||
| 234 | H | 97.7 | Very high | 94.7 | Very high | 40 Ų | 40 | 33.1 Ų | 33.1 | 19% | 0.185 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.2 | 168.6 | 173.8 | 64.4 | -78.4 | 0 | 0 | 0 | 111.3 | F232 C236 I243 F251 H310 | F232-H234 VanDerWaalsContact CZ-CA 3.48Å; H234-C236 WeakPolarHBondContact NE2-CB 3.31Å; H234-I243 PolarHBondContact N-O 2.95Å; H234-I243 PolarHBondContact O-N 3.25Å; H234-F251 AromaticContact CE1-CE1 3.85Å; H234-F251 AromaticContact CE1-CZ 3.9Å; H234-H310 AromaticContact CE1-CE1 3.8Å; H234-H310 AromaticContact CE1-NE2 3.92Å |
| 235 | H | 96.6 | Very high | 94.9 | Very high | 51 Ų | 51 | 31.1 Ų | 31.1 | 24% | 0.236 | 15% | 0.145 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92 | 122.4 | 162.1 | -173.5 | 85.7 | 0 | 0 | 0 | 108.2 | C225 P237 C242 | C225-H235 VanDerWaalsContact SG-CE1 3.58Å; C225-H235 PolarHBondContact SG-ND1 3.47Å; H235-P237 WeakPolarHBondContact O-CD 3.37Å; H235-C242 PolarHBondContact ND1-SG 2.8Å; H235-C242 VanDerWaalsContact ND1-SG 3.36Å |
| 236 | C | 95.6 | Very high | 95 | Very high | 8 Ų | 8 | 37.4 Ų | 37.4 | 5% | 0.054 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.3 | 110.1 | -177.8 | -179.9 | 0 | 0 | 0 | 0 | 109.8 | H234 W238 V239 G240 N241 I243 | H234-C236 WeakPolarHBondContact NE2-CB 3.31Å; C236-W238 PolarHBondContact O-N 3.07Å; C236-V239 HydrophobicContact CB-CG2 3.62Å; C236-V239 WeakPolarHBondContact O-CG2 3.31Å; C236-V239 PolarHBondContact O-N 3.03Å; C236-G240 PolarHBondContact O-N 3.44Å; C236-G240 VanDerWaalsContact O-N 3.16Å; C236-N241 PolarHBondContact N-O 2.78Å; C236-N241 PolarHBondContact O-N 3.27Å; C236-I243 HydrophobicContact CB-CD1 4.32Å; C236-I243 HydrophobicContact CB-CG1 3.97Å |
| 237 | P | 91.4 | Very high | 95.1 | Very high | 71 Ų | 71 | 33.5 Ų | 33.5 | 46% | 0.461 | 15% | 0.146 | S | C | . | . | G | 310 helix | trans | -60.1 | -35.6 | 176 | -23.8 | 34.8 | 0 | 0 | 0 | 112 | I17 H235 V239 G240 | I17-P237 WeakPolarHBondContact CD1-O 3.37Å; I17-P237 WeakPolarHBondContact CG2-O 3.4Å; H235-P237 WeakPolarHBondContact O-CD 3.37Å; P237-V239 VanDerWaalsContact C-N 3.27Å; P237-V239 PolarHBondContact O-N 2.88Å; P237-G240 PolarHBondContact O-N 2.54Å |
| 238 | W | 91.4 | Very high | 95.1 | Very high | 188 Ų | 188 | 27 Ų | 27 | 71% | 0.712 | 12% | 0.122 | S | C | * | . | G | 310 helix | trans | -66.9 | -21.8 | -175.8 | -60.4 | 112.7 | 0 | 0 | 0 | 115 | I17 Y66 C236 | I17-W238 HydrophobicContact CG2-CE3 4.33Å; I17-W238 WeakPolarHBondContact CG2-O 3.36Å; Y66-W238 WeakPolarHBondContact CE2-O 3.14Å; Y66-W238 PolarHBondContact OH-O 3.29Å; C236-W238 PolarHBondContact O-N 3.07Å |
| 239 | V | 93 | Very high | 95 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 13% | 0.134 | C | C | . | . | G | 310 helix | trans | -106.6 | -3 | 171.7 | -52.4 | 0 | 0 | 0 | 0 | 111.5 | Y66 T69 S70 C236 P237 N241 I243 F251 | Y66-V239 HydrophobicContact CD2-CG1 4.24Å; Y66-V239 HydrophobicContact CE2-CB 4.4Å; Y66-V239 HydrophobicContact CE2-CG1 3.9Å; T69-V239 HydrophobicContact CG2-CB 4.32Å; T69-V239 HydrophobicContact CG2-CG1 4.1Å; T69-V239 HydrophobicContact CG2-CG2 4.28Å; S70-V239 WeakPolarHBondContact CA-O 3.3Å; S70-V239 VanDerWaalsContact CB-O 3.23Å; S70-V239 WeakPolarHBondContact CB-O 3.36Å; S70-V239 PolarHBondContact OG-O 3.49Å; C236-V239 HydrophobicContact CB-CG2 3.62Å; C236-V239 WeakPolarHBondContact O-CG2 3.31Å; C236-V239 PolarHBondContact O-N 3.03Å; P237-V239 VanDerWaalsContact C-N 3.27Å; P237-V239 PolarHBondContact O-N 2.88Å; V239-N241 HydrophobicContact CG2-CB 4.07Å; V239-N241 PolarHBondContact O-N 2.91Å; V239-I243 HydrophobicContact CG2-CD1 3.99Å; V239-F251 HydrophobicContact CG1-CD2 4.44Å |
| 240 | G | 91.2 | Very high | 95 | Very high | 11 Ų | 11 | 29.4 Ų | 29.4 | 11% | 0.113 | 14% | 0.14 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.2 | 22.5 | -177.1 | 0 | 0 | 0 | 0 | 0 | 114.5 | C236 P237 | C236-G240 PolarHBondContact O-N 3.44Å; C236-G240 VanDerWaalsContact O-N 3.16Å; P237-G240 PolarHBondContact O-N 2.54Å |
| 241 | N | 93.3 | Very high | 95.1 | Very high | 5 Ų | 5 | 29.6 Ų | 29.6 | 3% | 0.027 | 14% | 0.14 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -148.7 | 162.1 | -173.2 | -161.6 | 9.1 | 0 | 0 | 0 | 112.1 | T69 S70 I72 Y76 C236 V239 | T69-N241 PolarHBondContact O-ND2 3.49Å; T69-N241 VanDerWaalsContact O-ND2 3.17Å; S70-N241 PolarHBondContact O-ND2 2.97Å; I72-N241 PolarHBondContact O-ND2 3.35Å; Y76-N241 PolarHBondContact OH-OD1 2.93Å; C236-N241 PolarHBondContact N-O 2.78Å; C236-N241 PolarHBondContact O-N 3.27Å; V239-N241 HydrophobicContact CG2-CB 4.07Å; V239-N241 PolarHBondContact O-N 2.91Å |
| 242 | C | 96.8 | Very high | 95.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 14% | 0.144 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.3 | 143.5 | 168.9 | -72.2 | 0 | 0 | 0 | 0 | 110.2 | P74 C222 C225 V229 H235 N247 | P74-C242 HydrophobicContact CB-CB 4.32Å; P74-C242 VanDerWaalsContact CB-O 3.22Å; P74-C242 WeakPolarHBondContact CB-O 3.32Å; P74-C242 HydrophobicContact CG-CB 3.93Å; C222-C242 WeakPolarHBondContact CB-SG 3.21Å; C222-C242 PolarHBondContact SG-SG 3.39Å; C225-C242 WeakPolarHBondContact CB-SG 3.49Å; C225-C242 WeakPolarHBondContact SG-CB 3.42Å; C225-C242 CovalentContact SG-SG 2.09Å; C225-C242 PolarHBondContact SG-SG 2.94Å; V229-C242 HydrophobicContact CG2-CB 3.93Å; H235-C242 PolarHBondContact ND1-SG 2.8Å; H235-C242 VanDerWaalsContact ND1-SG 3.36Å; C242-N247 PolarHBondContact O-ND2 3.25Å |
| 243 | I | 97.6 | Very high | 95.3 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 16% | 0.161 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 120.6 | 166.1 | -53.3 | -53.3 | 0 | 0 | 0 | 107.5 | T69 D233 H234 C236 V239 H248 F251 | T69-I243 HydrophobicContact CG2-CD1 3.44Å; T69-I243 VanDerWaalsContact CG2-CD1 3.44Å; D233-I243 HydrophobicContact CB-CB 4.22Å; D233-I243 HydrophobicContact CB-CG2 4.02Å; D233-I243 WeakPolarHBondContact CB-O 3.28Å; D233-I243 PolarHBondContact N-O 3.26Å; H234-I243 PolarHBondContact N-O 2.95Å; H234-I243 PolarHBondContact O-N 3.25Å; C236-I243 HydrophobicContact CB-CD1 4.32Å; C236-I243 HydrophobicContact CB-CG1 3.97Å; V239-I243 HydrophobicContact CG2-CD1 3.99Å; I243-H248 HydrophobicContact CG2-CB 4.09Å; I243-F251 HydrophobicContact CD1-CB 4.04Å; I243-F251 HydrophobicContact CD1-CD2 3.79Å; I243-F251 HydrophobicContact CD1-CE2 4.4Å; I243-F251 HydrophobicContact CD1-CG 3.89Å; I243-F251 HydrophobicContact CG1-CD1 4.47Å; I243-F251 HydrophobicContact CG1-CD2 4.27Å; I243-F251 HydrophobicContact CG1-CG 4.22Å; I243-F251 HydrophobicContact CG2-CB 4.29Å; I243-F251 HydrophobicContact CG2-CD1 4.21Å; I243-F251 HydrophobicContact CG2-CG 4.32Å |
| 244 | G | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 16% | 0.163 | C | C | . | . | trans | -149.9 | -167.7 | -176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | P74 K231 R246 N247 H248 | P74-G244 CarbonylContact O-C 3.46Å; P74-G244 WeakPolarHBondContact O-CA 3.02Å; K231-G244 WeakPolarHBondContact O-CA 3.24Å; G244-R246 VanDerWaalsContact C-N 3.25Å; G244-R246 PolarHBondContact O-N 3.46Å; G244-N247 PolarHBondContact N-OD1 3.41Å; G244-N247 PolarHBondContact O-N 2.91Å; G244-N247 PolarHBondContact O-OD1 3.35Å; G244-H248 VanDerWaalsContact O-CB 3.3Å; G244-H248 WeakPolarHBondContact O-CB 3.47Å; G244-H248 PolarHBondContact O-N 3.27Å | ||
| 245 | E | 93.8 | Very high | 95.3 | Very high | 21 Ų | 21 | 31.8 Ų | 31.8 | 10% | 0.098 | 16% | 0.156 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -47.9 | -41.3 | -171.2 | -165.6 | 154.7 | -132.8 | 0 | 0 | 115.7 | P74 L230 K231 P359 W362 | P74-E245 PolarHBondContact O-N 3.38Å; L230-E245 HydrophobicContact CB-CB 4.25Å; L230-E245 WeakPolarHBondContact CB-OE2 3.46Å; L230-E245 PolarHBondContact O-N 3.43Å; K231-E245 HydrophobicContact CB-CB 3.75Å; K231-E245 HydrophobicContact CB-CG 4.12Å; K231-E245 HydrophobicContact CD-CG 4.37Å; E245-P359 WeakPolarHBondContact OE1-CA 3.38Å; E245-P359 WeakPolarHBondContact OE2-CA 3.43Å; E245-P359 WeakPolarHBondContact OE2-CB 3.42Å; E245-W362 PolarHBondContact OE1-NE1 3.48Å |
| 246 | R | 93.6 | Very high | 95.3 | Very high | 143 Ų | 143 | 34 Ų | 34 | 54% | 0.54 | 17% | 0.166 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -17.1 | -170 | -64.8 | -174.9 | 69.4 | 179.4 | 3.7 | 114.9 | D73 P74 G244 | D73-R246 WeakPolarHBondContact O-CB 3.42Å; P74-R246 PolarHBondContact O-N 3.22Å; G244-R246 VanDerWaalsContact C-N 3.25Å; G244-R246 PolarHBondContact O-N 3.46Å |
| 247 | N | 95.5 | Very high | 95.4 | Very high | 0 Ų | 0 | 33.9 Ų | 33.9 | 0% | 0 | 17% | 0.165 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -123.6 | -1.4 | -177 | 70.3 | -15.8 | 0 | 0 | 0 | 113.8 | T69 P74 C242 G244 S249 A250 F251 | T69-N247 PolarHBondContact O-ND2 2.83Å; T69-N247 VanDerWaalsContact O-ND2 3.08Å; P74-N247 WeakPolarHBondContact CB-OD1 3.29Å; C242-N247 PolarHBondContact O-ND2 3.25Å; G244-N247 PolarHBondContact N-OD1 3.41Å; G244-N247 PolarHBondContact O-N 2.91Å; G244-N247 PolarHBondContact O-OD1 3.35Å; N247-S249 VanDerWaalsContact C-N 3.34Å; N247-S249 PolarHBondContact O-N 3.43Å; N247-A250 PolarHBondContact O-N 3.34Å; N247-F251 PolarHBondContact O-N 2.86Å |
| 248 | H | 95.7 | Very high | 95.7 | Very high | 4 Ų | 4 | 31 Ų | 31 | 2% | 0.019 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -60.7 | -40.7 | -179.8 | -160 | 168.6 | 0 | 0 | 0 | 112.6 | D233 I243 G244 F251 V252 H310 F353 | D233-H248 IonicContact OD1-CE1 3.74Å; D233-H248 PolarHBondContact OD1-CE1 3.49Å; D233-H248 IonicContact OD1-ND1 3.71Å; D233-H248 IonicContact OD1-NE2 3.32Å; I243-H248 HydrophobicContact CG2-CB 4.09Å; G244-H248 VanDerWaalsContact O-CB 3.3Å; G244-H248 WeakPolarHBondContact O-CB 3.47Å; G244-H248 PolarHBondContact O-N 3.27Å; H248-F251 WeakPolarHBondContact O-CB 3.26Å; H248-F251 PolarHBondContact O-N 2.94Å; H248-V252 PolarHBondContact O-N 2.8Å; H248-V252 VanDerWaalsContact O-N 3.1Å; H248-H310 AromaticContact NE2-CE1 3.92Å; H248-H310 AromaticContact NE2-ND1 3.3Å; H248-H310 PolarHBondContact NE2-ND1 3.25Å; H248-F353 HydrophobicContact CB-CE2 4.24Å; H248-F353 HydrophobicContact CB-CZ 4.27Å; H248-F353 AromaticContact CD2-CE2 3.79Å; H248-F353 AromaticContact CD2-CZ 3.59Å; H248-F353 AromaticContact CE1-CE2 3.82Å; H248-F353 AromaticContact CG-CE2 3.62Å; H248-F353 AromaticContact CG-CZ 3.76Å; H248-F353 AromaticContact ND1-CE2 3.66Å; H248-F353 AromaticContact NE2-CE2 3.9Å; H248-F353 AromaticContact NE2-CZ 3.98Å |
| 249 | S | 95.4 | Very high | 96 | Very high | 37 Ų | 37 | 22.7 Ų | 22.7 | 26% | 0.259 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -64.2 | -44.4 | 176.6 | 56.7 | 0 | 0 | 0 | 0 | 112.4 | N247 F251 V252 V253 F353 | N247-S249 VanDerWaalsContact C-N 3.34Å; N247-S249 PolarHBondContact O-N 3.43Å; S249-F251 VanDerWaalsContact C-N 3.28Å; S249-F251 PolarHBondContact O-N 3.49Å; S249-V252 PolarHBondContact O-N 2.91Å; S249-V253 WeakPolarHBondContact O-CG2 3.39Å; S249-V253 PolarHBondContact O-N 3.22Å; S249-F353 WeakPolarHBondContact CB-O 3.49Å |
| 250 | A | 95.9 | Very high | 96.1 | Very high | 15 Ų | 15 | 24.8 Ų | 24.8 | 12% | 0.124 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60 | -38.4 | 174.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | L68 T69 N247 V253 F254 | L68-A250 HydrophobicContact CB-CB 4.39Å; T69-A250 VanDerWaalsContact OG1-C 3.26Å; N247-A250 PolarHBondContact O-N 3.34Å; A250-V253 PolarHBondContact O-N 3.46Å; A250-F254 WeakPolarHBondContact O-CB 3.47Å; A250-F254 PolarHBondContact O-N 3.27Å |
| 251 | F | 97.3 | Very high | 96.3 | Very high | 7 Ų | 7 | 24.4 Ų | 24.4 | 3% | 0.031 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -62.3 | -43.2 | 176 | 175.5 | -109.1 | 0 | 0 | 0 | 112.3 | T69 H234 V239 I243 N247 H248 S249 F254 L255 H310 | T69-F251 HydrophobicContact CG2-CB 3.78Å; T69-F251 HydrophobicContact CG2-CD2 4.04Å; T69-F251 HydrophobicContact CG2-CG 4.37Å; T69-F251 WeakPolarHBondContact OG1-CA 3.29Å; T69-F251 PolarHBondContact OG1-N 2.92Å; H234-F251 AromaticContact CE1-CE1 3.85Å; H234-F251 AromaticContact CE1-CZ 3.9Å; V239-F251 HydrophobicContact CG1-CD2 4.44Å; I243-F251 HydrophobicContact CD1-CB 4.04Å; I243-F251 HydrophobicContact CD1-CD2 3.79Å; I243-F251 HydrophobicContact CD1-CE2 4.4Å; I243-F251 HydrophobicContact CD1-CG 3.89Å; I243-F251 HydrophobicContact CG1-CD1 4.47Å; I243-F251 HydrophobicContact CG1-CD2 4.27Å; I243-F251 HydrophobicContact CG1-CG 4.22Å; I243-F251 HydrophobicContact CG2-CB 4.29Å; I243-F251 HydrophobicContact CG2-CD1 4.21Å; I243-F251 HydrophobicContact CG2-CG 4.32Å; N247-F251 PolarHBondContact O-N 2.86Å; H248-F251 WeakPolarHBondContact O-CB 3.26Å; H248-F251 PolarHBondContact O-N 2.94Å; S249-F251 VanDerWaalsContact C-N 3.28Å; S249-F251 PolarHBondContact O-N 3.49Å; F251-F254 HydrophobicContact CD2-CD1 4.2Å; F251-F254 HydrophobicContact CE2-CD1 4.48Å; F251-F254 WeakPolarHBondContact O-CB 3.37Å; F251-F254 PolarHBondContact O-N 3.2Å; F251-L255 HydrophobicContact CD1-CD1 4.04Å; F251-L255 HydrophobicContact CE1-CD1 3.46Å; F251-L255 VanDerWaalsContact CE1-CD1 3.46Å; F251-L255 HydrophobicContact CE1-CG 4.28Å; F251-L255 HydrophobicContact CE2-CD1 4.2Å; F251-L255 HydrophobicContact CE2-CD2 4.33Å; F251-L255 HydrophobicContact CE2-CG 4.2Å; F251-L255 HydrophobicContact CZ-CD1 3.57Å; F251-L255 HydrophobicContact CZ-CD2 4.28Å; F251-L255 HydrophobicContact CZ-CG 4.07Å; F251-L255 WeakPolarHBondContact O-CG 3.45Å; F251-L255 PolarHBondContact O-N 3.35Å; F251-H310 AromaticContact CE1-CD2 3.88Å; F251-H310 AromaticContact CE1-CE1 3.61Å; F251-H310 AromaticContact CE1-CG 3.99Å; F251-H310 AromaticContact CE1-ND1 3.83Å; F251-H310 AromaticContact CE1-NE2 3.62Å |
| 252 | V | 97.5 | Very high | 96.4 | Very high | 18 Ų | 18 | 24.9 Ų | 24.9 | 11% | 0.109 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -69.6 | -40 | 178.5 | 175.3 | 0 | 0 | 0 | 0 | 111.9 | H248 S249 F254 L255 F256 H310 F353 | H248-V252 PolarHBondContact O-N 2.8Å; H248-V252 VanDerWaalsContact O-N 3.1Å; S249-V252 PolarHBondContact O-N 2.91Å; V252-F254 VanDerWaalsContact C-N 3.32Å; V252-F254 PolarHBondContact O-N 3.32Å; V252-L255 PolarHBondContact O-N 3.31Å; V252-F256 WeakPolarHBondContact O-CB 3.44Å; V252-F256 PolarHBondContact O-N 3.21Å; V252-H310 HydrophobicContact CG2-CB 3.95Å; V252-F353 HydrophobicContact CB-CE1 3.99Å; V252-F353 HydrophobicContact CB-CZ 4.19Å; V252-F353 HydrophobicContact CG1-CE1 4.47Å; V252-F353 HydrophobicContact CG2-CE1 3.82Å; V252-F353 HydrophobicContact CG2-CZ 3.51Å |
| 253 | V | 97.3 | Very high | 96.4 | Very high | 65 Ų | 65 | 29.7 Ų | 29.7 | 39% | 0.394 | 14% | 0.142 | S | C | . | . | H | α-helix | trans | -63.6 | -40.7 | 173.8 | 180 | 0 | 0 | 0 | 0 | 110.7 | I61 T65 S249 A250 F256 C257 | I61-V253 HydrophobicContact CG2-CG1 4.1Å; T65-V253 HydrophobicContact CG2-CB 4.12Å; T65-V253 HydrophobicContact CG2-CG1 3.78Å; S249-V253 WeakPolarHBondContact O-CG2 3.39Å; S249-V253 PolarHBondContact O-N 3.22Å; A250-V253 PolarHBondContact O-N 3.46Å; V253-F256 PolarHBondContact O-N 3.46Å; V253-C257 PolarHBondContact O-N 3.1Å; V253-C257 PolarHBondContact O-SG 2.89Å |
| 254 | F | 97.3 | Very high | 96.3 | Very high | 14 Ų | 14 | 32.3 Ų | 32.3 | 6% | 0.061 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -55.8 | -53.3 | 172.8 | 157.6 | -116.4 | 0 | 0 | 0 | 111.3 | H21 T65 Y66 A250 F251 V252 F256 C257 Q258 | H21-F254 AromaticContact NE2-CE2 3.82Å; T65-F254 WeakPolarHBondContact OG1-CA 3.28Å; T65-F254 WeakPolarHBondContact OG1-CB 3.37Å; T65-F254 PolarHBondContact OG1-N 3.26Å; Y66-F254 HydrophobicContact CD2-CD1 4.26Å; Y66-F254 HydrophobicContact CD2-CD2 4.02Å; Y66-F254 AromaticContact CD2-CE1 3.82Å; Y66-F254 HydrophobicContact CD2-CE1 3.82Å; Y66-F254 AromaticContact CD2-CE2 3.57Å; Y66-F254 HydrophobicContact CD2-CE2 3.57Å; Y66-F254 HydrophobicContact CD2-CG 4.35Å; Y66-F254 AromaticContact CD2-CZ 3.46Å; Y66-F254 HydrophobicContact CD2-CZ 3.46Å; Y66-F254 VanDerWaalsContact CD2-CZ 3.46Å; Y66-F254 HydrophobicContact CE2-CE1 4.38Å; Y66-F254 HydrophobicContact CE2-CZ 4.04Å; Y66-F254 HydrophobicContact CG-CD2 4.29Å; Y66-F254 HydrophobicContact CG-CE2 4.05Å; Y66-F254 HydrophobicContact CG-CZ 4.37Å; A250-F254 WeakPolarHBondContact O-CB 3.47Å; A250-F254 PolarHBondContact O-N 3.27Å; F251-F254 HydrophobicContact CD2-CD1 4.2Å; F251-F254 HydrophobicContact CE2-CD1 4.48Å; F251-F254 WeakPolarHBondContact O-CB 3.37Å; F251-F254 PolarHBondContact O-N 3.2Å; V252-F254 VanDerWaalsContact C-N 3.32Å; V252-F254 PolarHBondContact O-N 3.32Å; F254-F256 VanDerWaalsContact C-N 3.3Å; F254-F256 PolarHBondContact O-N 2.98Å; F254-C257 PolarHBondContact O-N 3.44Å; F254-Q258 HydrophobicContact CD2-CB 4.21Å; F254-Q258 HydrophobicContact CE2-CB 3.89Å; F254-Q258 HydrophobicContact CE2-CG 4.02Å; F254-Q258 HydrophobicContact CZ-CB 4.46Å; F254-Q258 HydrophobicContact CZ-CG 4.34Å; F254-Q258 WeakPolarHBondContact O-CB 3.32Å; F254-Q258 PolarHBondContact O-N 2.84Å |
| 255 | L | 98 | Very high | 96.2 | Very high | 8 Ų | 8 | 33 Ų | 33 | 4% | 0.042 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -59 | -41.5 | 178.5 | -70.2 | 175.9 | 0 | 0 | 0 | 111.9 | F251 V252 T259 V303 I306 L307 | F251-L255 HydrophobicContact CD1-CD1 4.04Å; F251-L255 HydrophobicContact CE1-CD1 3.46Å; F251-L255 VanDerWaalsContact CE1-CD1 3.46Å; F251-L255 HydrophobicContact CE1-CG 4.28Å; F251-L255 HydrophobicContact CE2-CD1 4.2Å; F251-L255 HydrophobicContact CE2-CD2 4.33Å; F251-L255 HydrophobicContact CE2-CG 4.2Å; F251-L255 HydrophobicContact CZ-CD1 3.57Å; F251-L255 HydrophobicContact CZ-CD2 4.28Å; F251-L255 HydrophobicContact CZ-CG 4.07Å; F251-L255 WeakPolarHBondContact O-CG 3.45Å; F251-L255 PolarHBondContact O-N 3.35Å; V252-L255 PolarHBondContact O-N 3.31Å; L255-T259 VanDerWaalsContact O-CB 3.27Å; L255-T259 WeakPolarHBondContact O-CB 3.49Å; L255-T259 PolarHBondContact O-N 3.37Å; L255-T259 PolarHBondContact O-OG1 2.76Å; L255-V303 HydrophobicContact CD2-CG1 4.28Å; L255-I306 HydrophobicContact CD1-CG2 3.74Å; L255-I306 HydrophobicContact CD2-CG2 4.36Å; L255-L307 HydrophobicContact CB-CB 4.28Å; L255-L307 HydrophobicContact CB-CD1 3.87Å |
| 256 | F | 98.1 | Very high | 96.3 | Very high | 98 Ų | 98 | 33.2 Ų | 33.2 | 43% | 0.43 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -62.8 | -55.3 | 179.7 | 179.5 | -99.1 | 0 | 0 | 0 | 111.9 | F58 V252 V253 F254 Q258 T259 I260 L307 | F58-F256 HydrophobicContact CE1-CE1 4.26Å; V252-F256 WeakPolarHBondContact O-CB 3.44Å; V252-F256 PolarHBondContact O-N 3.21Å; V253-F256 PolarHBondContact O-N 3.46Å; F254-F256 VanDerWaalsContact C-N 3.3Å; F254-F256 PolarHBondContact O-N 2.98Å; F256-Q258 VanDerWaalsContact C-N 3.33Å; F256-Q258 PolarHBondContact O-N 2.94Å; F256-T259 PolarHBondContact O-N 3.41Å; F256-I260 HydrophobicContact CD1-CD1 4Å; F256-I260 HydrophobicContact CE1-CD1 3.42Å; F256-I260 VanDerWaalsContact CE1-CD1 3.42Å; F256-I260 HydrophobicContact CE2-CD1 4.17Å; F256-I260 HydrophobicContact CZ-CD1 3.52Å; F256-I260 PolarHBondContact O-N 3.32Å; F256-I260 VanDerWaalsContact O-N 3.09Å; F256-L307 HydrophobicContact CB-CD1 4.03Å; F256-L307 HydrophobicContact CB-CD2 4.46Å; F256-L307 HydrophobicContact CD2-CD2 4.26Å |
| 257 | C | 97.5 | Very high | 96.4 | Very high | 5 Ų | 5 | 31.6 Ų | 31.6 | 3% | 0.034 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | 178.8 | -65.3 | 0 | 0 | 0 | 0 | 111.6 | F58 I61 V253 F254 T259 I260 S261 | F58-C257 HydrophobicContact CD1-CB 4.35Å; I61-C257 HydrophobicContact CG2-CB 4.45Å; I61-C257 WeakPolarHBondContact CG2-SG 3.45Å; V253-C257 PolarHBondContact O-N 3.1Å; V253-C257 PolarHBondContact O-SG 2.89Å; F254-C257 PolarHBondContact O-N 3.44Å; C257-T259 VanDerWaalsContact C-N 3.34Å; C257-T259 PolarHBondContact O-N 2.96Å; C257-I260 PolarHBondContact O-N 2.81Å; C257-S261 PolarHBondContact O-N 2.81Å; C257-S261 PolarHBondContact O-OG 2.76Å |
| 258 | Q | 96.5 | Very high | 96.3 | Very high | 11 Ų | 11 | 31.9 Ų | 31.9 | 5% | 0.051 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 177.2 | -174.2 | 62.2 | 80 | 0 | 0 | 111.9 | H21 S62 F254 F256 S261 I262 | H21-Q258 PolarHBondContact CE1-OE1 2.92Å; H21-Q258 PolarHBondContact NE2-OE1 3.23Å; S62-Q258 WeakPolarHBondContact OG-CB 3.32Å; S62-Q258 PolarHBondContact OG-OE1 2.78Å; F254-Q258 HydrophobicContact CD2-CB 4.21Å; F254-Q258 HydrophobicContact CE2-CB 3.89Å; F254-Q258 HydrophobicContact CE2-CG 4.02Å; F254-Q258 HydrophobicContact CZ-CB 4.46Å; F254-Q258 HydrophobicContact CZ-CG 4.34Å; F254-Q258 WeakPolarHBondContact O-CB 3.32Å; F254-Q258 PolarHBondContact O-N 2.84Å; F256-Q258 VanDerWaalsContact C-N 3.33Å; F256-Q258 PolarHBondContact O-N 2.94Å; Q258-S261 PolarHBondContact O-N 3.08Å; Q258-I262 HydrophobicContact CG-CD1 3.94Å; Q258-I262 VanDerWaalsContact O-CG1 3.26Å; Q258-I262 WeakPolarHBondContact O-CG1 3.39Å; Q258-I262 PolarHBondContact O-N 3.34Å |
| 259 | T | 97.6 | Very high | 96.2 | Very high | 13 Ų | 13 | 31.7 Ų | 31.7 | 8% | 0.08 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -63.1 | -48.8 | 177.1 | -61.2 | 0 | 0 | 0 | 0 | 110.4 | L255 F256 C257 S261 I262 W263 V303 T304 L307 | L255-T259 VanDerWaalsContact O-CB 3.27Å; L255-T259 WeakPolarHBondContact O-CB 3.49Å; L255-T259 PolarHBondContact O-N 3.37Å; L255-T259 PolarHBondContact O-OG1 2.76Å; F256-T259 PolarHBondContact O-N 3.41Å; C257-T259 VanDerWaalsContact C-N 3.34Å; C257-T259 PolarHBondContact O-N 2.96Å; T259-S261 PolarHBondContact O-N 3.05Å; T259-I262 PolarHBondContact O-N 3.29Å; T259-W263 PolarHBondContact O-N 3.06Å; T259-W263 VanDerWaalsContact O-N 3.08Å; T259-V303 WeakPolarHBondContact OG1-CG1 3.39Å; T259-T304 HydrophobicContact CG2-CG2 4.34Å; T259-L307 HydrophobicContact CG2-CD2 4.06Å; T259-L307 WeakPolarHBondContact OG1-CD2 3.16Å |
| 260 | I | 96.7 | Very high | 96.2 | Very high | 46 Ų | 46 | 37.4 Ų | 37.4 | 24% | 0.236 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -56.7 | -49.7 | 175.9 | -69.7 | 173.2 | 0 | 0 | 0 | 110.4 | F58 F256 C257 I262 W263 W264 | F58-I260 HydrophobicContact CB-CG2 4.47Å; F58-I260 HydrophobicContact CD1-CB 4.4Å; F58-I260 HydrophobicContact CD1-CD1 3.99Å; F58-I260 HydrophobicContact CD1-CG2 4.15Å; F58-I260 HydrophobicContact CD2-CG2 4.2Å; F58-I260 HydrophobicContact CE1-CD1 3.54Å; F58-I260 HydrophobicContact CE1-CG2 4.48Å; F58-I260 HydrophobicContact CG-CG2 4.02Å; F58-I260 HydrophobicContact CZ-CD1 4.03Å; F256-I260 HydrophobicContact CD1-CD1 4Å; F256-I260 HydrophobicContact CE1-CD1 3.42Å; F256-I260 VanDerWaalsContact CE1-CD1 3.42Å; F256-I260 HydrophobicContact CE2-CD1 4.17Å; F256-I260 HydrophobicContact CZ-CD1 3.52Å; F256-I260 PolarHBondContact O-N 3.32Å; F256-I260 VanDerWaalsContact O-N 3.09Å; C257-I260 PolarHBondContact O-N 2.81Å; I260-I262 VanDerWaalsContact C-N 3.35Å; I260-I262 PolarHBondContact O-N 2.87Å; I260-W263 PolarHBondContact O-N 2.77Å; I260-W264 HydrophobicContact CG2-CE3 4Å; I260-W264 VanDerWaalsContact O-CB 3.28Å; I260-W264 WeakPolarHBondContact O-CB 3.49Å; I260-W264 PolarHBondContact O-N 3.38Å |
| 261 | S | 95.2 | Very high | 96.2 | Very high | 3 Ų | 3 | 42.9 Ų | 42.9 | 2% | 0.021 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -60.9 | -39.4 | 179.4 | -63.1 | 0 | 0 | 0 | 0 | 113 | C257 Q258 T259 C265 | C257-S261 PolarHBondContact O-N 2.81Å; C257-S261 PolarHBondContact O-OG 2.76Å; Q258-S261 PolarHBondContact O-N 3.08Å; T259-S261 PolarHBondContact O-N 3.05Å; S261-C265 WeakPolarHBondContact O-CB 3.01Å; S261-C265 PolarHBondContact O-N 3.05Å; S261-C265 PolarHBondContact O-SG 2.75Å |
| 262 | I | 96 | Very high | 96 | Very high | 15 Ų | 15 | 42.9 Ų | 42.9 | 8% | 0.077 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -63.6 | -49.9 | 178.1 | -73.5 | 165 | 0 | 0 | 0 | 111.1 | Q258 T259 I260 W264 C265 L266 L296 V303 | Q258-I262 HydrophobicContact CG-CD1 3.94Å; Q258-I262 VanDerWaalsContact O-CG1 3.26Å; Q258-I262 WeakPolarHBondContact O-CG1 3.39Å; Q258-I262 PolarHBondContact O-N 3.34Å; T259-I262 PolarHBondContact O-N 3.29Å; I260-I262 VanDerWaalsContact C-N 3.35Å; I260-I262 PolarHBondContact O-N 2.87Å; I262-W264 VanDerWaalsContact C-N 3.3Å; I262-W264 PolarHBondContact O-N 3.41Å; I262-C265 PolarHBondContact O-N 3.41Å; I262-L266 PolarHBondContact O-N 3.29Å; I262-L296 HydrophobicContact CG2-CB 4.4Å; I262-L296 HydrophobicContact CG2-CD2 4.04Å; I262-V303 HydrophobicContact CD1-CG1 4.43Å |
| 263 | W | 96.7 | Very high | 95.9 | Very high | 101 Ų | 101 | 44.1 Ų | 44.1 | 38% | 0.383 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -68.9 | -31.6 | -178.6 | -68.6 | 112.7 | 0 | 0 | 0 | 112.1 | T259 I260 L266 Y267 V301 T304 | T259-W263 PolarHBondContact O-N 3.06Å; T259-W263 VanDerWaalsContact O-N 3.08Å; I260-W263 PolarHBondContact O-N 2.77Å; W263-L266 HydrophobicContact CE3-CD2 3.44Å; W263-L266 VanDerWaalsContact CE3-CD2 3.44Å; W263-L266 HydrophobicContact CZ3-CD2 3.39Å; W263-L266 WeakPolarHBondContact O-CB 3.47Å; W263-L266 PolarHBondContact O-N 3.4Å; W263-Y267 PolarHBondContact O-N 3.15Å; W263-V301 HydrophobicContact CH2-CG2 4.16Å; W263-V301 HydrophobicContact CZ2-CG2 4.41Å; W263-T304 PolarHBondContact NE1-OG1 3.1Å |
| 264 | W | 94.6 | Very high | 95.8 | Very high | 55 Ų | 55 | 44.6 Ų | 44.6 | 21% | 0.208 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -69.7 | -41.7 | 173.5 | -153.1 | -24.5 | 0 | 0 | 0 | 111.8 | C54 F55 F58 I260 I262 L266 Y267 Y268 | C54-W264 HydrophobicContact CB-CH2 3.81Å; C54-W264 HydrophobicContact CB-CZ3 4.4Å; F55-W264 HydrophobicContact CB-CD2 4.31Å; F55-W264 HydrophobicContact CB-CE3 4.35Å; F55-W264 HydrophobicContact CB-CH2 4.25Å; F55-W264 HydrophobicContact CB-CZ2 4.19Å; F55-W264 HydrophobicContact CB-CZ3 4.33Å; F55-W264 HydrophobicContact CD2-CB 3.96Å; F55-W264 AromaticContact CD2-CD2 3.72Å; F55-W264 HydrophobicContact CD2-CD2 3.72Å; F55-W264 HydrophobicContact CD2-CE3 4.05Å; F55-W264 AromaticContact CD2-CG 3.68Å; F55-W264 HydrophobicContact CD2-CG 3.68Å; F55-W264 HydrophobicContact CE2-CB 4.07Å; F55-W264 HydrophobicContact CE2-CG 4.22Å; F55-W264 HydrophobicContact CG-CD2 4.5Å; F58-W264 HydrophobicContact CD2-CZ3 4.08Å; F58-W264 HydrophobicContact CE2-CZ3 4.48Å; I260-W264 HydrophobicContact CG2-CE3 4Å; I260-W264 VanDerWaalsContact O-CB 3.28Å; I260-W264 WeakPolarHBondContact O-CB 3.49Å; I260-W264 PolarHBondContact O-N 3.38Å; I262-W264 VanDerWaalsContact C-N 3.3Å; I262-W264 PolarHBondContact O-N 3.41Å; W264-L266 VanDerWaalsContact C-N 3.31Å; W264-L266 PolarHBondContact O-N 2.87Å; W264-Y267 WeakPolarHBondContact O-CB 3.46Å; W264-Y267 PolarHBondContact O-N 3.39Å; W264-Y268 AromaticContact CD1-CD2 3.71Å; W264-Y268 AromaticContact CD1-CE2 3.13Å; W264-Y268 AromaticContact CD1-CZ 3.74Å; W264-Y268 HydrophobicContact CG-CE2 4.16Å; W264-Y268 AromaticContact NE1-CE2 3.21Å; W264-Y268 AromaticContact NE1-CZ 3.38Å; W264-Y268 PolarHBondContact NE1-OH 3.41Å; W264-Y268 VanDerWaalsContact NE1-OH 3.12Å; W264-Y268 VanDerWaalsContact O-CD2 3.24Å; W264-Y268 WeakPolarHBondContact O-CD2 3.11Å; W264-Y268 PolarHBondContact O-N 2.61Å; W264-Y268 VanDerWaalsContact O-N 3.1Å |
| 265 | C | 94.4 | Very high | 95.6 | Very high | 13 Ų | 13 | 51.9 Ų | 51.9 | 9% | 0.088 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.9 | -40.6 | 170 | -73.9 | 0 | 0 | 0 | 0 | 111.9 | V28 L32 F55 S261 I262 Y267 Y268 C269 L296 | V28-C265 HydrophobicContact CG1-CB 4.44Å; L32-C265 HydrophobicContact CD1-CB 4.24Å; F55-C265 VanDerWaalsContact CZ-SG 3.58Å; S261-C265 WeakPolarHBondContact O-CB 3.01Å; S261-C265 PolarHBondContact O-N 3.05Å; S261-C265 PolarHBondContact O-SG 2.75Å; I262-C265 PolarHBondContact O-N 3.41Å; C265-Y267 VanDerWaalsContact C-N 3.32Å; C265-Y267 PolarHBondContact O-N 3.47Å; C265-Y268 PolarHBondContact O-N 2.93Å; C265-C269 PolarHBondContact O-N 2.76Å; C265-C269 PolarHBondContact O-SG 3.3Å; C265-L296 HydrophobicContact CB-CD1 3.93Å; C265-L296 HydrophobicContact CB-CD2 4.21Å |
| 266 | L | 95.9 | Very high | 95.4 | Very high | 26 Ų | 26 | 53 Ų | 53 | 14% | 0.136 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.1 | -43.3 | 177.6 | -175.4 | 73.4 | 0 | 0 | 0 | 111.1 | I262 W263 W264 C269 W270 I293 L296 I297 | I262-L266 PolarHBondContact O-N 3.29Å; W263-L266 HydrophobicContact CE3-CD2 3.44Å; W263-L266 VanDerWaalsContact CE3-CD2 3.44Å; W263-L266 HydrophobicContact CZ3-CD2 3.39Å; W263-L266 WeakPolarHBondContact O-CB 3.47Å; W263-L266 PolarHBondContact O-N 3.4Å; W264-L266 VanDerWaalsContact C-N 3.31Å; W264-L266 PolarHBondContact O-N 2.87Å; L266-C269 PolarHBondContact O-N 3.34Å; L266-W270 WeakPolarHBondContact O-CB 3.34Å; L266-W270 PolarHBondContact O-N 3.36Å; L266-I293 HydrophobicContact CD1-CB 4.18Å; L266-I293 HydrophobicContact CD1-CG1 4.12Å; L266-I293 HydrophobicContact CD1-CG2 4.01Å; L266-L296 HydrophobicContact CB-CD1 4.33Å; L266-L296 HydrophobicContact CD1-CB 4.03Å; L266-L296 HydrophobicContact CD1-CD1 4.42Å; L266-I297 HydrophobicContact CD1-CD1 4.4Å; L266-I297 HydrophobicContact CD1-CG1 4.02Å; L266-I297 HydrophobicContact CD2-CG1 4.24Å |
| 267 | Y | 95.1 | Very high | 95.2 | Very high | 109 Ų | 109 | 54.1 Ų | 54.1 | 43% | 0.427 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -54.3 | -53.5 | 172.7 | 171.3 | -90 | 0 | 0 | 0 | 110.6 | W263 W264 C265 C269 W270 Y271 | W263-Y267 PolarHBondContact O-N 3.15Å; W264-Y267 WeakPolarHBondContact O-CB 3.46Å; W264-Y267 PolarHBondContact O-N 3.39Å; C265-Y267 VanDerWaalsContact C-N 3.32Å; C265-Y267 PolarHBondContact O-N 3.47Å; Y267-C269 PolarHBondContact O-N 3.49Å; Y267-W270 WeakPolarHBondContact O-CB 3.28Å; Y267-W270 PolarHBondContact O-N 3.16Å; Y267-W270 VanDerWaalsContact O-N 3.14Å; Y267-Y271 HydrophobicContact CD1-CD2 4.35Å; Y267-Y271 AromaticContact CD2-CD2 3.73Å; Y267-Y271 HydrophobicContact CD2-CD2 3.73Å; Y267-Y271 AromaticContact CD2-CE2 3.46Å; Y267-Y271 HydrophobicContact CD2-CE2 3.46Å; Y267-Y271 VanDerWaalsContact CD2-CE2 3.46Å; Y267-Y271 HydrophobicContact CE1-CD2 4.15Å; Y267-Y271 AromaticContact CE2-CD2 3.51Å; Y267-Y271 HydrophobicContact CE2-CD2 3.51Å; Y267-Y271 AromaticContact CE2-CE2 3.08Å; Y267-Y271 HydrophobicContact CE2-CE2 3.08Å; Y267-Y271 AromaticContact CE2-CZ 3.85Å; Y267-Y271 HydrophobicContact CG-CD2 4.14Å; Y267-Y271 HydrophobicContact CG-CE2 4.32Å; Y267-Y271 AromaticContact CZ-CD2 3.71Å; Y267-Y271 AromaticContact CZ-CE2 3.68Å; Y267-Y271 WeakPolarHBondContact O-CD2 3.34Å; Y267-Y271 PolarHBondContact O-N 2.9Å |
| 268 | Y | 93.3 | Very high | 95.2 | Very high | 7 Ų | 7 | 60 Ų | 60 | 3% | 0.027 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -61.8 | -41.5 | 179.4 | -70.9 | -56.3 | 0 | 0 | 0 | 113.2 | E38 L39 V42 F55 W264 C265 W270 Y271 S272 | E38-Y268 HydrophobicContact CB-CD1 3.9Å; E38-Y268 HydrophobicContact CG-CD1 3.65Å; E38-Y268 HydrophobicContact CG-CE1 4.16Å; L39-Y268 HydrophobicContact CB-CD1 3.97Å; L39-Y268 HydrophobicContact CB-CD2 4.07Å; L39-Y268 HydrophobicContact CB-CE1 4.39Å; L39-Y268 HydrophobicContact CB-CE2 4.47Å; L39-Y268 HydrophobicContact CB-CG 3.81Å; L39-Y268 HydrophobicContact CD1-CD2 4Å; L39-Y268 HydrophobicContact CD1-CE1 4.28Å; L39-Y268 HydrophobicContact CD1-CE2 3.61Å; L39-Y268 HydrophobicContact CD1-CG 4.47Å; L39-Y268 HydrophobicContact CG-CD2 4.42Å; V42-Y268 HydrophobicContact CG2-CE1 4.32Å; F55-Y268 HydrophobicContact CD2-CE2 4.42Å; W264-Y268 AromaticContact CD1-CD2 3.71Å; W264-Y268 AromaticContact CD1-CE2 3.13Å; W264-Y268 AromaticContact CD1-CZ 3.74Å; W264-Y268 HydrophobicContact CG-CE2 4.16Å; W264-Y268 AromaticContact NE1-CE2 3.21Å; W264-Y268 AromaticContact NE1-CZ 3.38Å; W264-Y268 PolarHBondContact NE1-OH 3.41Å; W264-Y268 VanDerWaalsContact NE1-OH 3.12Å; W264-Y268 VanDerWaalsContact O-CD2 3.24Å; W264-Y268 WeakPolarHBondContact O-CD2 3.11Å; W264-Y268 PolarHBondContact O-N 2.61Å; W264-Y268 VanDerWaalsContact O-N 3.1Å; C265-Y268 PolarHBondContact O-N 2.93Å; Y268-W270 VanDerWaalsContact C-N 3.31Å; Y268-W270 PolarHBondContact O-N 3.31Å; Y268-Y271 PolarHBondContact O-N 3.31Å; Y268-S272 WeakPolarHBondContact O-CB 3.49Å; Y268-S272 PolarHBondContact O-N 2.87Å; Y268-S272 PolarHBondContact O-OG 2.93Å |
| 269 | C | 94.7 | Very high | 95.1 | Very high | 0 Ų | 0 | 68.4 Ų | 68.4 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -60.2 | -41.4 | 175.3 | -68.3 | 0 | 0 | 0 | 0 | 112 | C265 L266 Y267 S272 I293 | C265-C269 PolarHBondContact O-N 2.76Å; C265-C269 PolarHBondContact O-SG 3.3Å; L266-C269 PolarHBondContact O-N 3.34Å; Y267-C269 PolarHBondContact O-N 3.49Å; C269-S272 PolarHBondContact O-N 2.83Å; C269-I293 HydrophobicContact CB-CD1 4.23Å; C269-I293 HydrophobicContact CB-CG1 3.64Å |
| 270 | W | 95.7 | Very high | 95 | Very high | 157 Ų | 157 | 73.2 Ų | 73.2 | 60% | 0.595 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -64.3 | -46.2 | -179.9 | -176.3 | -93.9 | 0 | 0 | 0 | 112 | L266 Y267 Y268 S272 L273 I293 | L266-W270 WeakPolarHBondContact O-CB 3.34Å; L266-W270 PolarHBondContact O-N 3.36Å; Y267-W270 WeakPolarHBondContact O-CB 3.28Å; Y267-W270 PolarHBondContact O-N 3.16Å; Y267-W270 VanDerWaalsContact O-N 3.14Å; Y268-W270 VanDerWaalsContact C-N 3.31Å; Y268-W270 PolarHBondContact O-N 3.31Å; W270-S272 PolarHBondContact O-N 2.73Å; W270-L273 HydrophobicContact CD2-CD1 4.46Å; W270-L273 HydrophobicContact CE3-CD1 4.22Å; W270-L273 WeakPolarHBondContact O-CB 3.35Å; W270-L273 WeakPolarHBondContact O-CG 3.38Å; W270-L273 PolarHBondContact O-N 2.79Å; W270-I293 HydrophobicContact CE3-CD1 4.2Å |
| 271 | Y | 94.5 | Very high | 94.9 | Very high | 130 Ų | 130 | 74.5 Ų | 74.5 | 51% | 0.51 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -75.6 | -11.6 | 179.3 | -78.7 | -87 | 0 | 0 | 0 | 113.9 | Y267 Y268 L273 | Y267-Y271 HydrophobicContact CD1-CD2 4.35Å; Y267-Y271 AromaticContact CD2-CD2 3.73Å; Y267-Y271 HydrophobicContact CD2-CD2 3.73Å; Y267-Y271 AromaticContact CD2-CE2 3.46Å; Y267-Y271 HydrophobicContact CD2-CE2 3.46Å; Y267-Y271 VanDerWaalsContact CD2-CE2 3.46Å; Y267-Y271 HydrophobicContact CE1-CD2 4.15Å; Y267-Y271 AromaticContact CE2-CD2 3.51Å; Y267-Y271 HydrophobicContact CE2-CD2 3.51Å; Y267-Y271 AromaticContact CE2-CE2 3.08Å; Y267-Y271 HydrophobicContact CE2-CE2 3.08Å; Y267-Y271 AromaticContact CE2-CZ 3.85Å; Y267-Y271 HydrophobicContact CG-CD2 4.14Å; Y267-Y271 HydrophobicContact CG-CE2 4.32Å; Y267-Y271 AromaticContact CZ-CD2 3.71Å; Y267-Y271 AromaticContact CZ-CE2 3.68Å; Y267-Y271 WeakPolarHBondContact O-CD2 3.34Å; Y267-Y271 PolarHBondContact O-N 2.9Å; Y268-Y271 PolarHBondContact O-N 3.31Å; Y271-L273 VanDerWaalsContact C-N 3.28Å |
| 272 | S | 94.4 | Very high | 95 | Very high | 7 Ų | 7 | 76.5 Ų | 76.5 | 5% | 0.049 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -3.2 | 173 | -54.1 | 0 | 0 | 0 | 0 | 113.4 | S37 E38 Y268 C269 W270 V274 F289 | S37-S272 WeakPolarHBondContact CA-OG 3.38Å; S37-S272 VanDerWaalsContact CB-OG 3.3Å; S37-S272 WeakPolarHBondContact CB-OG 3.17Å; E38-S272 PolarHBondContact N-OG 2.89Å; Y268-S272 WeakPolarHBondContact O-CB 3.49Å; Y268-S272 PolarHBondContact O-N 2.87Å; Y268-S272 PolarHBondContact O-OG 2.93Å; C269-S272 PolarHBondContact O-N 2.83Å; W270-S272 PolarHBondContact O-N 2.73Å; S272-V274 PolarHBondContact O-N 2.74Å; S272-F289 VanDerWaalsContact CB-CZ 3.46Å; S272-F289 WeakPolarHBondContact O-CE2 3.43Å |
| 273 | L | 95.2 | Very high | 95 | Very high | 43 Ų | 43 | 80.9 Ų | 80.9 | 23% | 0.225 | 38% | 0.376 | C | S | . | . | P | Polyproline II helix | trans | -70.2 | 129 | 178.3 | -65 | 174.3 | 0 | 0 | 0 | 110.8 | W270 Y271 N286 F289 L290 I293 | W270-L273 HydrophobicContact CD2-CD1 4.46Å; W270-L273 HydrophobicContact CE3-CD1 4.22Å; W270-L273 WeakPolarHBondContact O-CB 3.35Å; W270-L273 WeakPolarHBondContact O-CG 3.38Å; W270-L273 PolarHBondContact O-N 2.79Å; Y271-L273 VanDerWaalsContact C-N 3.28Å; L273-N286 VanDerWaalsContact CA-OD1 3.26Å; L273-N286 WeakPolarHBondContact CA-OD1 3.43Å; L273-N286 HydrophobicContact CD2-CB 3.72Å; L273-F289 HydrophobicContact CD2-CB 3.88Å; L273-L290 HydrophobicContact CD2-CD2 4.28Å; L273-L290 HydrophobicContact CD2-CG 4.41Å; L273-I293 HydrophobicContact CD1-CD1 4.06Å; L273-I293 HydrophobicContact CD2-CD1 4.34Å; L273-I293 HydrophobicContact CG-CD1 4.37Å |
| 274 | V | 93.8 | Very high | 94.9 | Very high | 75 Ų | 75 | 84.1 Ų | 84.1 | 46% | 0.455 | 39% | 0.392 | S | S | . | . | P | Polyproline II helix | trans | -101.4 | 127.2 | -179 | -179.1 | 0 | 0 | 0 | 0 | 110.4 | S272 N286 | S272-V274 PolarHBondContact O-N 2.74Å; V274-N286 PolarHBondContact N-OD1 2.81Å; V274-N286 PolarHBondContact O-ND2 2.8Å |
| 275 | E | 93.8 | Very high | 94.8 | Very high | 168 Ų | 168 | 85.1 Ų | 85.1 | 79% | 0.785 | 40% | 0.402 | S | S | * | . | P | Polyproline II helix | trans | -66.4 | 141.4 | 174.7 | -71.8 | -62.1 | 163.2 | 0 | 0 | 112.1 | ||
| 276 | A | 94.3 | Very high | 94.8 | Very high | 32 Ų | 32 | 84.5 Ų | 84.5 | 26% | 0.264 | 40% | 0.397 | S | S | . | . | trans | -152.1 | 140.7 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | K278 I281 W282 | A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 3.16Å; A276-I281 HydrophobicContact CB-CB 4.19Å; A276-I281 HydrophobicContact CB-CG2 3.88Å; A276-W282 HydrophobicContact CB-CB 3.96Å | ||
| 277 | S | 93.9 | Very high | 94.7 | Very high | 120 Ų | 120 | 86.6 Ų | 86.6 | 84% | 0.839 | 41% | 0.414 | S | S | * | . | S | Bend | trans | -69.8 | -23.6 | -174.1 | 58.2 | 0 | 0 | 0 | 0 | 114.7 | ||
| 278 | K | 96.1 | Very high | 94.7 | Very high | 130 Ų | 130 | 84.7 Ų | 84.7 | 57% | 0.565 | 41% | 0.411 | S | S | * | . | S | Bend | trans | -116.3 | 133.5 | 178.4 | -59.6 | -176.8 | 179 | 178.6 | 0 | 110.4 | A276 N280 I281 W282 | A276-K278 VanDerWaalsContact C-N 3.31Å; A276-K278 PolarHBondContact O-N 3.16Å; K278-N280 VanDerWaalsContact C-N 3.3Å; K278-N280 WeakPolarHBondContact CB-OD1 3.41Å; K278-N280 PolarHBondContact O-N 3.23Å; K278-I281 HydrophobicContact CB-CD1 4.18Å; K278-I281 HydrophobicContact CB-CG1 4.31Å; K278-I281 HydrophobicContact CD-CD1 4.29Å; K278-I281 PolarHBondContact O-N 3.11Å; K278-W282 PolarHBondContact O-N 3.39Å |
| 279 | W | 95.7 | Very high | 94.7 | Very high | 186 Ų | 186 | 85 Ų | 85 | 71% | 0.705 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -54.1 | -40.3 | -179.2 | -75.1 | 99.3 | 0 | 0 | 0 | 114 | I281 W282 F283 | W279-I281 VanDerWaalsContact C-N 3.29Å; W279-I281 PolarHBondContact O-N 3.21Å; W279-W282 HydrophobicContact CE3-CE3 4.27Å; W279-W282 HydrophobicContact CZ3-CE3 4.35Å; W279-W282 HydrophobicContact CZ3-CZ3 4.44Å; W279-W282 PolarHBondContact O-N 3.27Å; W279-F283 HydrophobicContact CB-CD2 4.41Å; W279-F283 HydrophobicContact CD2-CE2 4.49Å; W279-F283 HydrophobicContact CE3-CD2 4.2Å; W279-F283 AromaticContact CE3-CE2 3.57Å; W279-F283 HydrophobicContact CE3-CE2 3.57Å; W279-F283 HydrophobicContact CE3-CZ 4.2Å; W279-F283 HydrophobicContact CZ3-CE2 4.19Å; W279-F283 HydrophobicContact CZ3-CZ 4.38Å; W279-F283 WeakPolarHBondContact O-CB 3.42Å; W279-F283 WeakPolarHBondContact O-CD2 3.4Å; W279-F283 PolarHBondContact O-N 3.03Å |
| 280 | N | 95.1 | Very high | 94.7 | Very high | 115 Ų | 115 | 87 Ų | 87 | 62% | 0.615 | 42% | 0.423 | S | S | * | . | H | α-helix | trans | -63.8 | -35.2 | 179.2 | 66.4 | -43.4 | 0 | 0 | 0 | 112.7 | K278 K284 | K278-N280 VanDerWaalsContact C-N 3.3Å; K278-N280 WeakPolarHBondContact CB-OD1 3.41Å; K278-N280 PolarHBondContact O-N 3.23Å; N280-K284 WeakPolarHBondContact O-CB 3.47Å; N280-K284 PolarHBondContact O-N 3.32Å |
| 281 | I | 95.1 | Very high | 94.7 | Very high | 72 Ų | 72 | 85.3 Ų | 85.3 | 37% | 0.369 | 42% | 0.42 | S | S | . | . | H | α-helix | trans | -74.5 | -45.3 | 175.6 | -59.3 | 174.8 | 0 | 0 | 0 | 109.4 | A276 K278 W279 F283 K284 N285 | A276-I281 HydrophobicContact CB-CB 4.19Å; A276-I281 HydrophobicContact CB-CG2 3.88Å; K278-I281 HydrophobicContact CB-CD1 4.18Å; K278-I281 HydrophobicContact CB-CG1 4.31Å; K278-I281 HydrophobicContact CD-CD1 4.29Å; K278-I281 PolarHBondContact O-N 3.11Å; W279-I281 VanDerWaalsContact C-N 3.29Å; W279-I281 PolarHBondContact O-N 3.21Å; I281-F283 PolarHBondContact O-N 2.9Å; I281-K284 PolarHBondContact O-N 3.02Å; I281-N285 VanDerWaalsContact O-CG 3.29Å; I281-N285 PolarHBondContact O-N 3.26Å; I281-N285 PolarHBondContact O-OD1 3.29Å |
| 282 | W | 96.7 | Very high | 94.8 | Very high | 46 Ų | 46 | 79.7 Ų | 79.7 | 17% | 0.174 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -56.3 | -50.4 | 177.4 | -173.8 | 88.7 | 0 | 0 | 0 | 111.8 | A276 K278 W279 K284 N285 N286 L290 | A276-W282 HydrophobicContact CB-CB 3.96Å; K278-W282 PolarHBondContact O-N 3.39Å; W279-W282 HydrophobicContact CE3-CE3 4.27Å; W279-W282 HydrophobicContact CZ3-CE3 4.35Å; W279-W282 HydrophobicContact CZ3-CZ3 4.44Å; W279-W282 PolarHBondContact O-N 3.27Å; W282-K284 PolarHBondContact O-N 3.28Å; W282-N285 PolarHBondContact O-N 2.94Å; W282-N286 VanDerWaalsContact CD1-ND2 3.28Å; W282-N286 HydrophobicContact CD2-CB 4.5Å; W282-N286 HydrophobicContact CZ2-CB 4.45Å; W282-N286 PolarHBondContact NE1-ND2 3.5Å; W282-N286 VanDerWaalsContact NE1-ND2 3.18Å; W282-N286 VanDerWaalsContact O-CB 3.29Å; W282-N286 WeakPolarHBondContact O-CB 3.38Å; W282-N286 PolarHBondContact O-N 2.87Å; W282-N286 PolarHBondContact O-ND2 3.42Å; W282-L290 HydrophobicContact CE3-CD1 4.48Å; W282-L290 HydrophobicContact CH2-CD1 3.58Å; W282-L290 HydrophobicContact CH2-CD2 3.81Å; W282-L290 HydrophobicContact CH2-CG 4.2Å; W282-L290 HydrophobicContact CZ3-CD1 3.5Å; W282-L290 VanDerWaalsContact CZ3-CD1 3.5Å |
| 283 | F | 95.8 | Very high | 94.9 | Very high | 107 Ų | 107 | 80 Ų | 80 | 47% | 0.469 | 40% | 0.4 | S | S | . | . | H | α-helix | trans | -63.5 | -40.4 | 177.9 | -84.4 | -66.6 | 0 | 0 | 0 | 112.3 | W279 I281 N285 N286 S287 L290 | W279-F283 HydrophobicContact CB-CD2 4.41Å; W279-F283 HydrophobicContact CD2-CE2 4.49Å; W279-F283 HydrophobicContact CE3-CD2 4.2Å; W279-F283 AromaticContact CE3-CE2 3.57Å; W279-F283 HydrophobicContact CE3-CE2 3.57Å; W279-F283 HydrophobicContact CE3-CZ 4.2Å; W279-F283 HydrophobicContact CZ3-CE2 4.19Å; W279-F283 HydrophobicContact CZ3-CZ 4.38Å; W279-F283 WeakPolarHBondContact O-CB 3.42Å; W279-F283 WeakPolarHBondContact O-CD2 3.4Å; W279-F283 PolarHBondContact O-N 3.03Å; I281-F283 PolarHBondContact O-N 2.9Å; F283-N285 VanDerWaalsContact C-N 3.28Å; F283-N285 PolarHBondContact O-N 3.46Å; F283-N286 PolarHBondContact O-N 3.12Å; F283-S287 WeakPolarHBondContact O-CA 3.29Å; F283-S287 WeakPolarHBondContact O-CB 3.2Å; F283-S287 PolarHBondContact O-N 3.21Å; F283-S287 PolarHBondContact O-OG 3.43Å; F283-L290 HydrophobicContact CD1-CD1 4.04Å; F283-L290 HydrophobicContact CE1-CD1 4.12Å |
| 284 | K | 94.2 | Very high | 95 | Very high | 168 Ų | 168 | 82.9 Ų | 82.9 | 73% | 0.73 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -58.8 | -43.1 | 176.9 | -176 | -176.9 | 176.2 | -173.2 | 0 | 111.2 | N280 I281 W282 | N280-K284 WeakPolarHBondContact O-CB 3.47Å; N280-K284 PolarHBondContact O-N 3.32Å; I281-K284 PolarHBondContact O-N 3.02Å; W282-K284 PolarHBondContact O-N 3.28Å |
| 285 | N | 92.2 | Very high | 95.1 | Very high | 76 Ų | 76 | 81.4 Ų | 81.4 | 41% | 0.406 | 40% | 0.403 | S | S | . | . | H | α-helix | trans | -75.2 | -34.2 | -178.6 | -64.9 | -5.5 | 0 | 0 | 0 | 112.7 | I281 W282 F283 | I281-N285 VanDerWaalsContact O-CG 3.29Å; I281-N285 PolarHBondContact O-N 3.26Å; I281-N285 PolarHBondContact O-OD1 3.29Å; W282-N285 PolarHBondContact O-N 2.94Å; F283-N285 VanDerWaalsContact C-N 3.28Å; F283-N285 PolarHBondContact O-N 3.46Å |
| 286 | N | 95.2 | Very high | 95.2 | Very high | 0 Ų | 0 | 74 Ų | 74 | 0% | 0 | 37% | 0.369 | C | S | . | . | H | α-helix | trans | -106 | -8.1 | -169.2 | -66.1 | -52 | 0 | 0 | 0 | 115.3 | L273 V274 W282 F283 L288 F289 L290 | L273-N286 VanDerWaalsContact CA-OD1 3.26Å; L273-N286 WeakPolarHBondContact CA-OD1 3.43Å; L273-N286 HydrophobicContact CD2-CB 3.72Å; V274-N286 PolarHBondContact N-OD1 2.81Å; V274-N286 PolarHBondContact O-ND2 2.8Å; W282-N286 VanDerWaalsContact CD1-ND2 3.28Å; W282-N286 HydrophobicContact CD2-CB 4.5Å; W282-N286 HydrophobicContact CZ2-CB 4.45Å; W282-N286 PolarHBondContact NE1-ND2 3.5Å; W282-N286 VanDerWaalsContact NE1-ND2 3.18Å; W282-N286 VanDerWaalsContact O-CB 3.29Å; W282-N286 WeakPolarHBondContact O-CB 3.38Å; W282-N286 PolarHBondContact O-N 2.87Å; W282-N286 PolarHBondContact O-ND2 3.42Å; F283-N286 PolarHBondContact O-N 3.12Å; N286-L288 VanDerWaalsContact C-N 3.28Å; N286-L288 PolarHBondContact O-N 3.07Å; N286-L288 VanDerWaalsContact O-N 3.15Å; N286-F289 PolarHBondContact O-N 3.5Å; N286-F289 VanDerWaalsContact O-N 3.08Å; N286-L290 HydrophobicContact CB-CD1 4.2Å; N286-L290 HydrophobicContact CB-CG 4.31Å; N286-L290 WeakPolarHBondContact O-CG 3.41Å; N286-L290 PolarHBondContact O-N 3.05Å |
| 287 | S | 94.4 | Very high | 95.4 | Very high | 70 Ų | 70 | 76.1 Ų | 76.1 | 49% | 0.49 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -50.9 | -42.1 | -173.2 | 53 | 0 | 0 | 0 | 0 | 114.4 | F283 F291 | F283-S287 WeakPolarHBondContact O-CA 3.29Å; F283-S287 WeakPolarHBondContact O-CB 3.2Å; F283-S287 PolarHBondContact O-N 3.21Å; F283-S287 PolarHBondContact O-OG 3.43Å; S287-F291 PolarHBondContact O-N 3.39Å |
| 288 | L | 93.6 | Very high | 95.5 | Very high | 69 Ų | 69 | 75.8 Ų | 75.8 | 36% | 0.361 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -65.6 | -47.4 | 178.2 | -177.4 | 65 | 0 | 0 | 0 | 112.1 | P31 N286 L290 F291 F292 | P31-L288 HydrophobicContact CB-CD2 4.3Å; N286-L288 VanDerWaalsContact C-N 3.28Å; N286-L288 PolarHBondContact O-N 3.07Å; N286-L288 VanDerWaalsContact O-N 3.15Å; L288-L290 VanDerWaalsContact C-N 3.35Å; L288-F291 WeakPolarHBondContact O-CB 3.28Å; L288-F291 PolarHBondContact O-N 3.48Å; L288-F292 HydrophobicContact CD1-CD2 4.46Å; L288-F292 HydrophobicContact CD1-CE1 4.42Å; L288-F292 HydrophobicContact CD1-CE2 3.66Å; L288-F292 HydrophobicContact CD1-CZ 3.63Å; L288-F292 HydrophobicContact CD2-CE2 4.14Å; L288-F292 HydrophobicContact CG-CD2 4.21Å; L288-F292 HydrophobicContact CG-CE2 3.61Å; L288-F292 HydrophobicContact CG-CZ 4.13Å; L288-F292 WeakPolarHBondContact O-CD2 3.44Å; L288-F292 PolarHBondContact O-N 3.14Å; L288-F292 VanDerWaalsContact O-N 3.07Å |
| 289 | F | 94.7 | Very high | 95.4 | Very high | 15 Ų | 15 | 72.7 Ų | 72.7 | 7% | 0.066 | 36% | 0.356 | C | S | . | . | H | α-helix | trans | -65.9 | -38.2 | 178.2 | -62.1 | -57.5 | 0 | 0 | 0 | 111.7 | L32 S272 L273 N286 F291 F292 I293 | L32-F289 HydrophobicContact CD2-CD1 4.31Å; L32-F289 HydrophobicContact CD2-CE1 4.02Å; S272-F289 VanDerWaalsContact CB-CZ 3.46Å; S272-F289 WeakPolarHBondContact O-CE2 3.43Å; L273-F289 HydrophobicContact CD2-CB 3.88Å; N286-F289 PolarHBondContact O-N 3.5Å; N286-F289 VanDerWaalsContact O-N 3.08Å; F289-F291 PolarHBondContact O-N 3.23Å; F289-F292 PolarHBondContact O-N 2.99Å; F289-I293 WeakPolarHBondContact O-CB 3.3Å; F289-I293 VanDerWaalsContact O-CG1 3.24Å; F289-I293 WeakPolarHBondContact O-CG1 3.36Å; F289-I293 PolarHBondContact O-N 3.31Å |
| 290 | L | 94.9 | Very high | 95.4 | Very high | 40 Ų | 40 | 63.9 Ų | 63.9 | 21% | 0.209 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -61.5 | -43.1 | 174 | -68.3 | 170.5 | 0 | 0 | 0 | 111.9 | L273 W282 F283 N286 L288 F292 I293 I294 | L273-L290 HydrophobicContact CD2-CD2 4.28Å; L273-L290 HydrophobicContact CD2-CG 4.41Å; W282-L290 HydrophobicContact CE3-CD1 4.48Å; W282-L290 HydrophobicContact CH2-CD1 3.58Å; W282-L290 HydrophobicContact CH2-CD2 3.81Å; W282-L290 HydrophobicContact CH2-CG 4.2Å; W282-L290 HydrophobicContact CZ3-CD1 3.5Å; W282-L290 VanDerWaalsContact CZ3-CD1 3.5Å; F283-L290 HydrophobicContact CD1-CD1 4.04Å; F283-L290 HydrophobicContact CE1-CD1 4.12Å; N286-L290 HydrophobicContact CB-CD1 4.2Å; N286-L290 HydrophobicContact CB-CG 4.31Å; N286-L290 WeakPolarHBondContact O-CG 3.41Å; N286-L290 PolarHBondContact O-N 3.05Å; L288-L290 VanDerWaalsContact C-N 3.35Å; L290-F292 VanDerWaalsContact C-N 3.35Å; L290-F292 PolarHBondContact O-N 3.35Å; L290-I293 PolarHBondContact O-N 3.28Å; L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.39Å; L290-I294 PolarHBondContact O-N 2.83Å |
| 291 | F | 95.7 | Very high | 95.6 | Very high | 123 Ų | 123 | 61.8 Ų | 61.8 | 54% | 0.539 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -58 | -47.1 | 174 | 170.5 | -99 | 0 | 0 | 0 | 111.3 | S287 L288 F289 I294 M295 | S287-F291 PolarHBondContact O-N 3.39Å; L288-F291 WeakPolarHBondContact O-CB 3.28Å; L288-F291 PolarHBondContact O-N 3.48Å; F289-F291 PolarHBondContact O-N 3.23Å; F291-I294 PolarHBondContact O-N 2.69Å; F291-M295 HydrophobicContact CE1-SD 4.38Å; F291-M295 HydrophobicContact CZ-SD 4.41Å; F291-M295 WeakPolarHBondContact O-CB 3.49Å; F291-M295 PolarHBondContact O-N 3.24Å |
| 292 | F | 95.9 | Very high | 95.7 | Very high | 11 Ų | 11 | 61.6 Ų | 61.6 | 5% | 0.048 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 177.1 | -65.3 | -37 | 0 | 0 | 0 | 113.2 | V28 P31 L288 F289 L290 I294 M295 L296 | V28-F292 HydrophobicContact CG1-CG 4.44Å; V28-F292 HydrophobicContact CG2-CD1 4.09Å; V28-F292 HydrophobicContact CG2-CE1 4.35Å; P31-F292 HydrophobicContact CB-CE2 3.77Å; P31-F292 HydrophobicContact CB-CZ 3.98Å; P31-F292 HydrophobicContact CG-CE2 4.19Å; P31-F292 HydrophobicContact CG-CZ 3.87Å; L288-F292 HydrophobicContact CD1-CD2 4.46Å; L288-F292 HydrophobicContact CD1-CE1 4.42Å; L288-F292 HydrophobicContact CD1-CE2 3.66Å; L288-F292 HydrophobicContact CD1-CZ 3.63Å; L288-F292 HydrophobicContact CD2-CE2 4.14Å; L288-F292 HydrophobicContact CG-CD2 4.21Å; L288-F292 HydrophobicContact CG-CE2 3.61Å; L288-F292 HydrophobicContact CG-CZ 4.13Å; L288-F292 WeakPolarHBondContact O-CD2 3.44Å; L288-F292 PolarHBondContact O-N 3.14Å; L288-F292 VanDerWaalsContact O-N 3.07Å; F289-F292 PolarHBondContact O-N 2.99Å; L290-F292 VanDerWaalsContact C-N 3.35Å; L290-F292 PolarHBondContact O-N 3.35Å; F292-I294 PolarHBondContact O-N 3.03Å; F292-M295 PolarHBondContact O-N 2.97Å; F292-L296 HydrophobicContact CB-CD1 4.44Å; F292-L296 WeakPolarHBondContact O-CB 3.44Å; F292-L296 WeakPolarHBondContact O-CD1 3.25Å; F292-L296 WeakPolarHBondContact O-CG 3.4Å; F292-L296 PolarHBondContact O-N 3.47Å |
| 293 | I | 96.8 | Very high | 95.7 | Very high | 15 Ų | 15 | 60.9 Ų | 60.9 | 8% | 0.077 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.3 | -50.5 | 175.9 | -74 | 163.7 | 0 | 0 | 0 | 110.2 | L266 C269 W270 L273 F289 L290 M295 L296 I297 | L266-I293 HydrophobicContact CD1-CB 4.18Å; L266-I293 HydrophobicContact CD1-CG1 4.12Å; L266-I293 HydrophobicContact CD1-CG2 4.01Å; C269-I293 HydrophobicContact CB-CD1 4.23Å; C269-I293 HydrophobicContact CB-CG1 3.64Å; W270-I293 HydrophobicContact CE3-CD1 4.2Å; L273-I293 HydrophobicContact CD1-CD1 4.06Å; L273-I293 HydrophobicContact CD2-CD1 4.34Å; L273-I293 HydrophobicContact CG-CD1 4.37Å; F289-I293 WeakPolarHBondContact O-CB 3.3Å; F289-I293 VanDerWaalsContact O-CG1 3.24Å; F289-I293 WeakPolarHBondContact O-CG1 3.36Å; F289-I293 PolarHBondContact O-N 3.31Å; L290-I293 PolarHBondContact O-N 3.28Å; I293-M295 PolarHBondContact O-N 3.11Å; I293-L296 PolarHBondContact O-N 2.96Å; I293-I297 HydrophobicContact CG2-CD1 3.83Å; I293-I297 VanDerWaalsContact O-CG1 3.29Å; I293-I297 WeakPolarHBondContact O-CG1 3.31Å; I293-I297 PolarHBondContact O-N 3.11Å |
| 294 | I | 97.1 | Very high | 95.8 | Very high | 102 Ų | 102 | 58.2 Ų | 58.2 | 52% | 0.523 | 31% | 0.311 | S | S | . | . | H | α-helix | trans | -61 | -47.6 | 179.5 | -67.6 | 166.1 | 0 | 0 | 0 | 110.3 | L290 F291 F292 I297 I298 | L290-I294 VanDerWaalsContact O-CG1 3.28Å; L290-I294 WeakPolarHBondContact O-CG1 3.39Å; L290-I294 PolarHBondContact O-N 2.83Å; F291-I294 PolarHBondContact O-N 2.69Å; F292-I294 PolarHBondContact O-N 3.03Å; I294-I297 PolarHBondContact O-N 3.03Å; I294-I298 HydrophobicContact CG2-CD1 3.64Å; I294-I298 HydrophobicContact CG2-CG1 4.42Å; I294-I298 WeakPolarHBondContact O-CB 3.21Å; I294-I298 VanDerWaalsContact O-CG1 3.27Å; I294-I298 WeakPolarHBondContact O-CG1 3.26Å; I294-I298 PolarHBondContact O-N 3.09Å |
| 295 | M | 95.3 | Very high | 96 | Very high | 45 Ų | 45 | 54.9 Ų | 54.9 | 22% | 0.222 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 179.6 | -168.1 | -168.8 | 75.9 | 0 | 0 | 112.1 | I24 V28 F291 F292 I293 I297 I298 C299 | I24-M295 HydrophobicContact CG2-CE 4.19Å; V28-M295 HydrophobicContact CG2-CE 3.13Å; F291-M295 HydrophobicContact CE1-SD 4.38Å; F291-M295 HydrophobicContact CZ-SD 4.41Å; F291-M295 WeakPolarHBondContact O-CB 3.49Å; F291-M295 PolarHBondContact O-N 3.24Å; F292-M295 PolarHBondContact O-N 2.97Å; I293-M295 PolarHBondContact O-N 3.11Å; M295-I297 VanDerWaalsContact C-N 3.34Å; M295-I297 PolarHBondContact O-N 3.06Å; M295-I298 PolarHBondContact O-N 3.28Å; M295-C299 WeakPolarHBondContact O-CB 3.42Å; M295-C299 PolarHBondContact O-N 2.8Å; M295-C299 PolarHBondContact O-SG 3.27Å |
| 296 | L | 96.9 | Very high | 96.3 | Very high | 13 Ų | 13 | 54.7 Ų | 54.7 | 7% | 0.068 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -65.2 | -34.9 | 179.1 | -72.4 | 166.6 | 0 | 0 | 0 | 111.8 | V28 I262 C265 L266 F292 I293 G300 | V28-L296 HydrophobicContact CG1-CD1 4.31Å; V28-L296 HydrophobicContact CG1-CD2 4.44Å; I262-L296 HydrophobicContact CG2-CB 4.4Å; I262-L296 HydrophobicContact CG2-CD2 4.04Å; C265-L296 HydrophobicContact CB-CD1 3.93Å; C265-L296 HydrophobicContact CB-CD2 4.21Å; L266-L296 HydrophobicContact CB-CD1 4.33Å; L266-L296 HydrophobicContact CD1-CB 4.03Å; L266-L296 HydrophobicContact CD1-CD1 4.42Å; F292-L296 HydrophobicContact CB-CD1 4.44Å; F292-L296 WeakPolarHBondContact O-CB 3.44Å; F292-L296 WeakPolarHBondContact O-CD1 3.25Å; F292-L296 WeakPolarHBondContact O-CG 3.4Å; F292-L296 PolarHBondContact O-N 3.47Å; I293-L296 PolarHBondContact O-N 2.96Å; L296-G300 WeakPolarHBondContact O-CA 3.4Å; L296-G300 PolarHBondContact O-N 2.77Å |
| 297 | I | 97.7 | Very high | 96.4 | Very high | 75 Ų | 75 | 55.4 Ų | 55.4 | 39% | 0.385 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -69.6 | -48.3 | 173.9 | -69.8 | 168.1 | 0 | 0 | 0 | 110.7 | L266 I293 I294 M295 C299 G300 V301 | L266-I297 HydrophobicContact CD1-CD1 4.4Å; L266-I297 HydrophobicContact CD1-CG1 4.02Å; L266-I297 HydrophobicContact CD2-CG1 4.24Å; I293-I297 HydrophobicContact CG2-CD1 3.83Å; I293-I297 VanDerWaalsContact O-CG1 3.29Å; I293-I297 WeakPolarHBondContact O-CG1 3.31Å; I293-I297 PolarHBondContact O-N 3.11Å; I294-I297 PolarHBondContact O-N 3.03Å; M295-I297 VanDerWaalsContact C-N 3.34Å; M295-I297 PolarHBondContact O-N 3.06Å; I297-C299 VanDerWaalsContact C-N 3.29Å; I297-C299 PolarHBondContact O-N 3.03Å; I297-G300 PolarHBondContact O-N 2.85Å; I297-V301 HydrophobicContact CG2-CG2 4.21Å; I297-V301 WeakPolarHBondContact O-CG2 3.37Å; I297-V301 PolarHBondContact O-N 2.7Å |
| 298 | I | 96.8 | Very high | 96.6 | Very high | 114 Ų | 114 | 54 Ų | 54 | 59% | 0.585 | 30% | 0.303 | S | S | * | . | H | α-helix | trans | -60 | -40.1 | -179.4 | -70.9 | 171.2 | 0 | 0 | 0 | 111.2 | I294 M295 P302 | I294-I298 HydrophobicContact CG2-CD1 3.64Å; I294-I298 HydrophobicContact CG2-CG1 4.42Å; I294-I298 WeakPolarHBondContact O-CB 3.21Å; I294-I298 VanDerWaalsContact O-CG1 3.27Å; I294-I298 WeakPolarHBondContact O-CG1 3.26Å; I294-I298 PolarHBondContact O-N 3.09Å; M295-I298 PolarHBondContact O-N 3.28Å; I298-P302 WeakPolarHBondContact O-CD 3.28Å; I298-P302 WeakPolarHBondContact O-CG 3.27Å |
| 299 | C | 93.1 | Very high | 96.9 | Very high | 64 Ų | 64 | 54.3 Ų | 54.3 | 43% | 0.432 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -83.1 | -37.7 | 177.2 | -65.5 | 0 | 0 | 0 | 0 | 112.9 | M295 I297 V303 | M295-C299 WeakPolarHBondContact O-CB 3.42Å; M295-C299 PolarHBondContact O-N 2.8Å; M295-C299 PolarHBondContact O-SG 3.27Å; I297-C299 VanDerWaalsContact C-N 3.29Å; I297-C299 PolarHBondContact O-N 3.03Å; C299-V303 WeakPolarHBondContact O-CG2 3.43Å; C299-V303 PolarHBondContact O-N 3.31Å |
| 300 | G | 96.5 | Very high | 97 | Very high | 1 Ų | 1 | 53.9 Ų | 53.9 | 1% | 0.01 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -74.1 | -39.4 | -171.2 | 0 | 0 | 0 | 0 | 0 | 114.3 | L296 I297 V303 T304 | L296-G300 WeakPolarHBondContact O-CA 3.4Å; L296-G300 PolarHBondContact O-N 2.77Å; I297-G300 PolarHBondContact O-N 2.85Å; G300-V303 PolarHBondContact O-N 3.1Å; G300-T304 WeakPolarHBondContact O-CB 3.38Å; G300-T304 PolarHBondContact O-N 2.67Å; G300-T304 PolarHBondContact O-OG1 3.14Å |
| 301 | V | 98 | Very high | 97.2 | Very high | 71 Ų | 71 | 55.1 Ų | 55.1 | 43% | 0.43 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62 | -51.5 | 179.4 | 171.5 | 0 | 0 | 0 | 0 | 111.3 | W263 I297 V303 T304 V305 | W263-V301 HydrophobicContact CH2-CG2 4.16Å; W263-V301 HydrophobicContact CZ2-CG2 4.41Å; I297-V301 HydrophobicContact CG2-CG2 4.21Å; I297-V301 WeakPolarHBondContact O-CG2 3.37Å; I297-V301 PolarHBondContact O-N 2.7Å; V301-V303 PolarHBondContact O-N 2.61Å; V301-T304 PolarHBondContact O-N 3.08Å; V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 3.3Å |
| 302 | P | 97.5 | Very high | 97.2 | Very high | 68 Ų | 68 | 55.1 Ų | 55.1 | 44% | 0.442 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -59 | -43 | 175.5 | -25.6 | 35.3 | 0 | 0 | 0 | 113.5 | I298 T304 V305 I306 | I298-P302 WeakPolarHBondContact O-CD 3.28Å; I298-P302 WeakPolarHBondContact O-CG 3.27Å; P302-T304 VanDerWaalsContact C-N 3.3Å; P302-T304 PolarHBondContact O-N 3.37Å; P302-V305 PolarHBondContact O-N 3.28Å; P302-I306 VanDerWaalsContact O-CG1 3.26Å; P302-I306 WeakPolarHBondContact O-CG1 3.34Å; P302-I306 PolarHBondContact O-N 3.37Å |
| 303 | V | 97.2 | Very high | 97.3 | Very high | 32 Ų | 32 | 54.6 Ų | 54.6 | 19% | 0.194 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61.2 | -40.4 | 178.5 | 171.4 | 0 | 0 | 0 | 0 | 111.1 | L255 T259 I262 C299 G300 V301 I306 L307 | L255-V303 HydrophobicContact CD2-CG1 4.28Å; T259-V303 WeakPolarHBondContact OG1-CG1 3.39Å; I262-V303 HydrophobicContact CD1-CG1 4.43Å; C299-V303 WeakPolarHBondContact O-CG2 3.43Å; C299-V303 PolarHBondContact O-N 3.31Å; G300-V303 PolarHBondContact O-N 3.1Å; V301-V303 PolarHBondContact O-N 2.61Å; V303-I306 PolarHBondContact O-N 3.34Å; V303-L307 WeakPolarHBondContact O-CB 3.26Å; V303-L307 PolarHBondContact O-N 3.1Å |
| 304 | T | 98.4 | Very high | 97.2 | Very high | 50 Ų | 50 | 54.4 Ų | 54.4 | 31% | 0.307 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -65 | -42 | 177.2 | -55 | 0 | 0 | 0 | 0 | 111.9 | T259 W263 G300 V301 P302 L307 G308 | T259-T304 HydrophobicContact CG2-CG2 4.34Å; W263-T304 PolarHBondContact NE1-OG1 3.1Å; G300-T304 WeakPolarHBondContact O-CB 3.38Å; G300-T304 PolarHBondContact O-N 2.67Å; G300-T304 PolarHBondContact O-OG1 3.14Å; V301-T304 PolarHBondContact O-N 3.08Å; P302-T304 VanDerWaalsContact C-N 3.3Å; P302-T304 PolarHBondContact O-N 3.37Å; T304-L307 PolarHBondContact O-N 3.07Å; T304-G308 PolarHBondContact O-N 2.87Å |
| 305 | V | 98.5 | Very high | 97.2 | Very high | 99 Ų | 99 | 52.2 Ų | 52.2 | 60% | 0.6 | 29% | 0.29 | S | S | * | . | H | α-helix | trans | -64.7 | -44.4 | 176.4 | 173.8 | 0 | 0 | 0 | 0 | 111.1 | V301 P302 L307 G308 F309 | V301-V305 WeakPolarHBondContact O-CG2 3.46Å; V301-V305 PolarHBondContact O-N 3.3Å; P302-V305 PolarHBondContact O-N 3.28Å; V305-L307 VanDerWaalsContact C-N 3.33Å; V305-L307 PolarHBondContact O-N 3.21Å; V305-G308 PolarHBondContact O-N 3.3Å; V305-F309 PolarHBondContact O-N 3.12Å |
| 306 | I | 97.9 | Very high | 97.2 | Very high | 72 Ų | 72 | 51.4 Ų | 51.4 | 37% | 0.369 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -61.1 | -44 | 176.3 | -67.4 | 167.1 | 0 | 0 | 0 | 110.1 | L255 P302 V303 G308 F309 H310 | L255-I306 HydrophobicContact CD1-CG2 3.74Å; L255-I306 HydrophobicContact CD2-CG2 4.36Å; P302-I306 VanDerWaalsContact O-CG1 3.26Å; P302-I306 WeakPolarHBondContact O-CG1 3.34Å; P302-I306 PolarHBondContact O-N 3.37Å; V303-I306 PolarHBondContact O-N 3.34Å; I306-G308 PolarHBondContact O-N 3.13Å; I306-F309 PolarHBondContact O-N 3.18Å; I306-H310 PolarHBondContact O-CD2 3.08Å; I306-H310 VanDerWaalsContact O-CD2 3.31Å; I306-H310 PolarHBondContact O-N 3.06Å |
| 307 | L | 98.4 | Very high | 97.1 | Very high | 14 Ų | 14 | 50.9 Ų | 50.9 | 7% | 0.073 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -57.3 | -50 | 175.5 | 174.8 | 62.7 | 0 | 0 | 0 | 111.5 | L255 F256 T259 V303 T304 V305 F309 H310 I311 | L255-L307 HydrophobicContact CB-CB 4.28Å; L255-L307 HydrophobicContact CB-CD1 3.87Å; F256-L307 HydrophobicContact CB-CD1 4.03Å; F256-L307 HydrophobicContact CB-CD2 4.46Å; F256-L307 HydrophobicContact CD2-CD2 4.26Å; T259-L307 HydrophobicContact CG2-CD2 4.06Å; T259-L307 WeakPolarHBondContact OG1-CD2 3.16Å; V303-L307 WeakPolarHBondContact O-CB 3.26Å; V303-L307 PolarHBondContact O-N 3.1Å; T304-L307 PolarHBondContact O-N 3.07Å; V305-L307 VanDerWaalsContact C-N 3.33Å; V305-L307 PolarHBondContact O-N 3.21Å; L307-F309 VanDerWaalsContact C-N 3.31Å; L307-F309 PolarHBondContact O-N 3.43Å; L307-H310 PolarHBondContact O-N 3.12Å; L307-I311 HydrophobicContact CD1-CD1 3.82Å; L307-I311 HydrophobicContact CD1-CG1 4.01Å; L307-I311 HydrophobicContact CD2-CD1 4.48Å; L307-I311 HydrophobicContact CG-CD1 3.8Å; L307-I311 HydrophobicContact CG-CG1 4.39Å; L307-I311 VanDerWaalsContact O-CG1 3.31Å; L307-I311 WeakPolarHBondContact O-CG1 3.37Å; L307-I311 PolarHBondContact O-N 3.49Å |
| 308 | G | 98.4 | Very high | 97 | Very high | 41 Ų | 41 | 48.8 Ų | 48.8 | 42% | 0.423 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -58 | -43.1 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.7 | T304 V305 I306 I311 Y312 | T304-G308 PolarHBondContact O-N 2.87Å; V305-G308 PolarHBondContact O-N 3.3Å; I306-G308 PolarHBondContact O-N 3.13Å; G308-I311 PolarHBondContact O-N 3.11Å; G308-Y312 PolarHBondContact O-N 3.06Å |
| 309 | F | 98.4 | Very high | 97 | Very high | 75 Ų | 75 | 43.3 Ų | 43.3 | 33% | 0.329 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -62.8 | -46.7 | 175.8 | 178.9 | -115.8 | 0 | 0 | 0 | 112.3 | V305 I306 L307 I311 Y312 L313 T320 T323 | V305-F309 PolarHBondContact O-N 3.12Å; I306-F309 PolarHBondContact O-N 3.18Å; L307-F309 VanDerWaalsContact C-N 3.31Å; L307-F309 PolarHBondContact O-N 3.43Å; F309-I311 PolarHBondContact O-N 3.36Å; F309-Y312 WeakPolarHBondContact O-CB 3.41Å; F309-Y312 PolarHBondContact O-N 3.18Å; F309-L313 HydrophobicContact CD1-CD1 3.93Å; F309-L313 HydrophobicContact CD1-CG 4.41Å; F309-L313 HydrophobicContact CD2-CG 4.49Å; F309-L313 HydrophobicContact CE1-CD1 3.42Å; F309-L313 VanDerWaalsContact CE1-CD1 3.42Å; F309-L313 HydrophobicContact CE1-CG 4.08Å; F309-L313 HydrophobicContact CE2-CD1 4.35Å; F309-L313 HydrophobicContact CE2-CD2 4.08Å; F309-L313 HydrophobicContact CE2-CG 4.15Å; F309-L313 HydrophobicContact CZ-CD1 3.67Å; F309-L313 HydrophobicContact CZ-CD2 3.94Å; F309-L313 HydrophobicContact CZ-CG 3.95Å; F309-L313 WeakPolarHBondContact O-CG 3.22Å; F309-L313 PolarHBondContact O-N 3.08Å; F309-T320 HydrophobicContact CE1-CG2 4.04Å; F309-T323 HydrophobicContact CE2-CG2 4.45Å; F309-T323 HydrophobicContact CZ-CG2 4.36Å |
| 310 | H | 98 | Very high | 97.3 | Very high | 6 Ų | 6 | 41.5 Ų | 41.5 | 3% | 0.028 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -70.9 | -30 | 179.6 | -83.3 | -87 | 0 | 0 | 0 | 113.5 | D233 H234 H248 F251 V252 I306 L307 L313 A314 | D233-H310 IonicContact OD2-CE1 2.95Å; D233-H310 PolarHBondContact OD2-CE1 3.08Å; H234-H310 AromaticContact CE1-CE1 3.8Å; H234-H310 AromaticContact CE1-NE2 3.92Å; H248-H310 AromaticContact NE2-CE1 3.92Å; H248-H310 AromaticContact NE2-ND1 3.3Å; H248-H310 PolarHBondContact NE2-ND1 3.25Å; F251-H310 AromaticContact CE1-CD2 3.88Å; F251-H310 AromaticContact CE1-CE1 3.61Å; F251-H310 AromaticContact CE1-CG 3.99Å; F251-H310 AromaticContact CE1-ND1 3.83Å; F251-H310 AromaticContact CE1-NE2 3.62Å; V252-H310 HydrophobicContact CG2-CB 3.95Å; I306-H310 PolarHBondContact O-CD2 3.08Å; I306-H310 VanDerWaalsContact O-CD2 3.31Å; I306-H310 PolarHBondContact O-N 3.06Å; L307-H310 PolarHBondContact O-N 3.12Å; H310-L313 PolarHBondContact O-N 3.1Å; H310-A314 WeakPolarHBondContact O-CB 3.41Å; H310-A314 PolarHBondContact O-N 3.49Å |
| 311 | I | 97.8 | Very high | 97.3 | Very high | 67 Ų | 67 | 42.2 Ų | 42.2 | 34% | 0.344 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -60 | -52.9 | 168 | -71 | 168.8 | 0 | 0 | 0 | 108.8 | L307 G308 F309 L313 A314 L315 | L307-I311 HydrophobicContact CD1-CD1 3.82Å; L307-I311 HydrophobicContact CD1-CG1 4.01Å; L307-I311 HydrophobicContact CD2-CD1 4.48Å; L307-I311 HydrophobicContact CG-CD1 3.8Å; L307-I311 HydrophobicContact CG-CG1 4.39Å; L307-I311 VanDerWaalsContact O-CG1 3.31Å; L307-I311 WeakPolarHBondContact O-CG1 3.37Å; L307-I311 PolarHBondContact O-N 3.49Å; G308-I311 PolarHBondContact O-N 3.11Å; F309-I311 PolarHBondContact O-N 3.36Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 2.82Å; I311-A314 WeakPolarHBondContact O-CB 3.49Å; I311-A314 PolarHBondContact O-N 3.4Å; I311-A314 VanDerWaalsContact O-N 3.13Å; I311-L315 HydrophobicContact CG2-CD1 4.07Å; I311-L315 HydrophobicContact CG2-CG 4.24Å; I311-L315 VanDerWaalsContact O-CG 3.28Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 3.12Å |
| 312 | Y | 97.5 | Very high | 97.2 | Very high | 123 Ų | 123 | 39 Ų | 39 | 48% | 0.482 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -52.6 | -49.9 | 176.6 | 164.3 | -100.1 | 0 | 0 | 0 | 112 | G308 F309 A314 L315 V316 | G308-Y312 PolarHBondContact O-N 3.06Å; F309-Y312 WeakPolarHBondContact O-CB 3.41Å; F309-Y312 PolarHBondContact O-N 3.18Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 3.28Å; Y312-L315 PolarHBondContact O-N 2.8Å; Y312-L315 VanDerWaalsContact O-N 3.15Å; Y312-V316 HydrophobicContact CD2-CG1 4.28Å; Y312-V316 HydrophobicContact CE1-CG2 4.16Å; Y312-V316 HydrophobicContact CE2-CG1 3.82Å; Y312-V316 HydrophobicContact CE2-CG2 4.38Å; Y312-V316 WeakPolarHBondContact O-CG2 3.47Å; Y312-V316 PolarHBondContact O-N 2.65Å |
| 313 | L | 96.9 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.5 Ų | 38.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.1 | -43.2 | 178.5 | -70 | -176.5 | 0 | 0 | 0 | 112.8 | F309 H310 I311 V316 N317 K318 T320 T323 | F309-L313 HydrophobicContact CD1-CD1 3.93Å; F309-L313 HydrophobicContact CD1-CG 4.41Å; F309-L313 HydrophobicContact CD2-CG 4.49Å; F309-L313 HydrophobicContact CE1-CD1 3.42Å; F309-L313 VanDerWaalsContact CE1-CD1 3.42Å; F309-L313 HydrophobicContact CE1-CG 4.08Å; F309-L313 HydrophobicContact CE2-CD1 4.35Å; F309-L313 HydrophobicContact CE2-CD2 4.08Å; F309-L313 HydrophobicContact CE2-CG 4.15Å; F309-L313 HydrophobicContact CZ-CD1 3.67Å; F309-L313 HydrophobicContact CZ-CD2 3.94Å; F309-L313 HydrophobicContact CZ-CG 3.95Å; F309-L313 WeakPolarHBondContact O-CG 3.22Å; F309-L313 PolarHBondContact O-N 3.08Å; H310-L313 PolarHBondContact O-N 3.1Å; I311-L313 VanDerWaalsContact C-N 3.33Å; I311-L313 PolarHBondContact O-N 2.82Å; L313-V316 PolarHBondContact O-N 3.04Å; L313-N317 WeakPolarHBondContact O-CA 3.34Å; L313-N317 PolarHBondContact O-N 3.27Å; L313-K318 HydrophobicContact CD2-CB 3.98Å; L313-K318 PolarHBondContact O-N 3.44Å; L313-T320 WeakPolarHBondContact CD1-OG1 3.05Å; L313-T323 WeakPolarHBondContact CD2-OG1 3.47Å |
| 314 | A | 95.6 | Very high | 97 | Very high | 10 Ų | 10 | 41.9 Ų | 41.9 | 8% | 0.083 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -62.5 | -42.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.6 | H310 I311 Y312 V316 N317 F353 | H310-A314 WeakPolarHBondContact O-CB 3.41Å; H310-A314 PolarHBondContact O-N 3.49Å; I311-A314 WeakPolarHBondContact O-CB 3.49Å; I311-A314 PolarHBondContact O-N 3.4Å; I311-A314 VanDerWaalsContact O-N 3.13Å; Y312-A314 VanDerWaalsContact C-N 3.34Å; Y312-A314 PolarHBondContact O-N 3.28Å; A314-V316 VanDerWaalsContact C-N 3.32Å; A314-V316 PolarHBondContact O-N 3.41Å; A314-N317 PolarHBondContact O-N 3.12Å; A314-F353 HydrophobicContact CB-CB 4.5Å; A314-F353 HydrophobicContact CB-CD1 3.88Å; A314-F353 HydrophobicContact CB-CD2 3.7Å; A314-F353 HydrophobicContact CB-CE1 3.95Å; A314-F353 HydrophobicContact CB-CE2 3.79Å; A314-F353 HydrophobicContact CB-CG 3.76Å; A314-F353 HydrophobicContact CB-CZ 3.93Å |
| 315 | L | 96.3 | Very high | 96.7 | Very high | 56 Ų | 56 | 39.7 Ų | 39.7 | 29% | 0.293 | 22% | 0.218 | S | C | . | . | H | α-helix | trans | -65.9 | -31.3 | 179.6 | -65.4 | -173.9 | 0 | 0 | 0 | 113.5 | I311 Y312 F346 N349 C350 | I311-L315 HydrophobicContact CG2-CD1 4.07Å; I311-L315 HydrophobicContact CG2-CG 4.24Å; I311-L315 VanDerWaalsContact O-CG 3.28Å; I311-L315 WeakPolarHBondContact O-CG 3.4Å; I311-L315 PolarHBondContact O-N 3.12Å; Y312-L315 PolarHBondContact O-N 2.8Å; Y312-L315 VanDerWaalsContact O-N 3.15Å; L315-F346 HydrophobicContact CB-CD2 4.38Å; L315-F346 HydrophobicContact CD1-CD2 4.19Å; L315-F346 HydrophobicContact CD1-CE2 3.72Å; L315-F346 HydrophobicContact CD2-CD2 3.58Å; L315-F346 HydrophobicContact CD2-CE2 3.13Å; L315-F346 HydrophobicContact CD2-CZ 3.87Å; L315-F346 HydrophobicContact CG-CD2 4.22Å; L315-F346 HydrophobicContact CG-CE2 3.93Å; L315-N349 WeakPolarHBondContact O-CB 3.33Å; L315-N349 PolarHBondContact O-ND2 3.24Å; L315-C350 WeakPolarHBondContact CD2-SG 3.47Å |
| 316 | V | 95.4 | Very high | 96.4 | Very high | 28 Ų | 28 | 35.9 Ų | 35.9 | 17% | 0.17 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -99.9 | -0.6 | 176.9 | -56 | 0 | 0 | 0 | 0 | 113.4 | Y312 L313 A314 K318 N340 | Y312-V316 HydrophobicContact CD2-CG1 4.28Å; Y312-V316 HydrophobicContact CE1-CG2 4.16Å; Y312-V316 HydrophobicContact CE2-CG1 3.82Å; Y312-V316 HydrophobicContact CE2-CG2 4.38Å; Y312-V316 WeakPolarHBondContact O-CG2 3.47Å; Y312-V316 PolarHBondContact O-N 2.65Å; L313-V316 PolarHBondContact O-N 3.04Å; A314-V316 VanDerWaalsContact C-N 3.32Å; A314-V316 PolarHBondContact O-N 3.41Å; V316-K318 VanDerWaalsContact C-N 3.28Å; V316-K318 HydrophobicContact CG2-CB 3.98Å; V316-K318 HydrophobicContact CG2-CD 4.34Å; V316-K318 HydrophobicContact CG2-CG 3.89Å; V316-K318 PolarHBondContact O-N 3.1Å; V316-N340 PolarHBondContact O-ND2 2.89Å |
| 317 | N | 95.4 | Very high | 96.1 | Very high | 3 Ų | 3 | 38.1 Ų | 38.1 | 2% | 0.016 | 21% | 0.207 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 54.8 | 36.6 | -175.3 | -161.7 | -2.7 | 0 | 0 | 0 | 114.4 | R218 K231 L313 A314 F342 N349 | R218-N317 PolarHBondContact NH1-OD1 2.96Å; R218-N317 VanDerWaalsContact NH1-OD1 3.08Å; R218-N317 PolarHBondContact NH2-O 3.31Å; K231-N317 PolarHBondContact NZ-OD1 2.65Å; L313-N317 WeakPolarHBondContact O-CA 3.34Å; L313-N317 PolarHBondContact O-N 3.27Å; A314-N317 PolarHBondContact O-N 3.12Å; N317-F342 HydrophobicContact CB-CB 4.45Å; N317-F342 WeakPolarHBondContact CB-O 3.44Å; N317-F342 PolarHBondContact ND2-O 3.07Å; N317-N349 HydrophobicContact CB-CB 4.19Å |
| 318 | K | 95.5 | Very high | 95.6 | Very high | 30 Ų | 30 | 41.2 Ų | 41.2 | 13% | 0.13 | 22% | 0.217 | C | C | . | . | trans | -97.5 | 158.8 | 167.5 | -69.7 | -168.2 | 177.4 | -173.4 | 0 | 110.2 | L313 V316 E339 N340 | L313-K318 HydrophobicContact CD2-CB 3.98Å; L313-K318 PolarHBondContact O-N 3.44Å; V316-K318 VanDerWaalsContact C-N 3.28Å; V316-K318 HydrophobicContact CG2-CB 3.98Å; V316-K318 HydrophobicContact CG2-CD 4.34Å; V316-K318 HydrophobicContact CG2-CG 3.89Å; V316-K318 PolarHBondContact O-N 3.1Å; K318-E339 PolarHBondContact NZ-O 3.08Å; K318-N340 VanDerWaalsContact CE-ND2 3.27Å; K318-N340 WeakPolarHBondContact CE-ND2 3.3Å; K318-N340 VanDerWaalsContact CG-ND2 3.28Å; K318-N340 WeakPolarHBondContact CG-ND2 3.26Å | ||
| 319 | T | 96.7 | Very high | 95.2 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 20% | 0.198 | C | C | . | . | trans | -101.2 | 160.7 | 165.4 | 57.5 | 0 | 0 | 0 | 0 | 110.6 | K231 D233 W321 E322 T323 | K231-T319 HydrophobicContact CG-CG2 3.94Å; D233-T319 HydrophobicContact CB-CG2 4.48Å; D233-T319 WeakPolarHBondContact OD1-CA 3.31Å; D233-T319 VanDerWaalsContact OD1-CB 3.28Å; D233-T319 WeakPolarHBondContact OD1-CB 3.37Å; T319-W321 PolarHBondContact O-N 3.1Å; T319-E322 WeakPolarHBondContact CB-OE2 3.5Å; T319-E322 PolarHBondContact N-OE2 3.41Å; T319-E322 PolarHBondContact O-N 3.1Å; T319-E322 WeakPolarHBondContact OG1-CB 3.49Å; T319-E322 WeakPolarHBondContact OG1-CG 3.49Å; T319-E322 PolarHBondContact OG1-N 3.49Å; T319-E322 VanDerWaalsContact OG1-N 3.11Å; T319-E322 PolarHBondContact OG1-OE2 2.88Å; T319-T323 PolarHBondContact O-N 3.11Å; T319-T323 PolarHBondContact O-OG1 2.96Å | ||
| 320 | T | 97.9 | Very high | 94.7 | Very high | 26 Ų | 26 | 36.2 Ų | 36.2 | 16% | 0.16 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -54.7 | -43.5 | 171.6 | -56.4 | 0 | 0 | 0 | 0 | 111 | D233 F309 L313 T323 V324 | D233-T320 PolarHBondContact OD1-N 3.16Å; D233-T320 PolarHBondContact OD1-OG1 2.94Å; D233-T320 VanDerWaalsContact OD2-CB 3.31Å; D233-T320 WeakPolarHBondContact OD2-CB 3.45Å; D233-T320 PolarHBondContact OD2-OG1 3.13Å; F309-T320 HydrophobicContact CE1-CG2 4.04Å; L313-T320 WeakPolarHBondContact CD1-OG1 3.05Å; T320-T323 PolarHBondContact O-N 3.35Å; T320-V324 HydrophobicContact CG2-CG2 4.21Å; T320-V324 WeakPolarHBondContact O-CB 3.13Å; T320-V324 VanDerWaalsContact O-CG2 3.31Å; T320-V324 WeakPolarHBondContact O-CG2 3.45Å; T320-V324 PolarHBondContact O-N 2.75Å |
| 321 | W | 97 | Very high | 94.1 | Very high | 16 Ų | 16 | 36 Ų | 36 | 6% | 0.061 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.1 | -43.6 | 177.4 | 175 | 62.5 | 0 | 0 | 0 | 112.8 | R220 F232 D233 T319 T323 V324 A325 I329 Y331 | R220-W321 HydrophobicContact CG-CZ2 4.4Å; F232-W321 HydrophobicContact CD1-CB 3.84Å; F232-W321 HydrophobicContact CD1-CD2 4.44Å; F232-W321 AromaticContact CD1-CG 4Å; F232-W321 HydrophobicContact CD1-CG 4Å; F232-W321 HydrophobicContact CE1-CB 4.14Å; F232-W321 HydrophobicContact CE1-CG 4.35Å; D233-W321 WeakPolarHBondContact O-CB 3.15Å; D233-W321 PolarHBondContact O-N 3.49Å; T319-W321 PolarHBondContact O-N 3.1Å; W321-T323 VanDerWaalsContact C-N 3.3Å; W321-T323 PolarHBondContact O-N 3.28Å; W321-V324 PolarHBondContact O-N 3.22Å; W321-A325 WeakPolarHBondContact O-CA 3.31Å; W321-A325 VanDerWaalsContact O-CB 3.25Å; W321-A325 WeakPolarHBondContact O-CB 3.12Å; W321-A325 PolarHBondContact O-N 2.69Å; W321-I329 HydrophobicContact CD2-CD1 3.74Å; W321-I329 HydrophobicContact CD2-CG1 4.39Å; W321-I329 HydrophobicContact CE3-CD1 3.82Å; W321-I329 HydrophobicContact CG-CD1 4.45Å; W321-I329 HydrophobicContact CH2-CB 4.28Å; W321-I329 HydrophobicContact CH2-CD1 3.67Å; W321-I329 HydrophobicContact CH2-CG1 3.55Å; W321-I329 HydrophobicContact CH2-CG2 3.79Å; W321-I329 HydrophobicContact CZ2-CB 4.45Å; W321-I329 HydrophobicContact CZ2-CD1 3.66Å; W321-I329 HydrophobicContact CZ2-CG1 3.38Å; W321-I329 HydrophobicContact CZ2-CG2 4.43Å; W321-I329 HydrophobicContact CZ3-CD1 3.76Å; W321-I329 HydrophobicContact CZ3-CG1 4.18Å; W321-I329 HydrophobicContact CZ3-CG2 4.31Å; W321-Y331 HydrophobicContact CH2-CE1 4.23Å; W321-Y331 HydrophobicContact CZ3-CE1 4.23Å; W321-Y331 WeakPolarHBondContact CZ3-OH 2.99Å |
| 322 | E | 96.2 | Very high | 93.8 | Very high | 4 Ų | 4 | 33.2 Ų | 33.2 | 2% | 0.019 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.6 | -37.4 | 176.1 | -72.8 | 163.1 | 153.1 | 0 | 0 | 112.3 | R218 T319 H326 I329 Y331 L332 F342 | R218-E322 WeakPolarHBondContact CG-OE1 3.32Å; R218-E322 IonicContact CZ-OE1 3.8Å; R218-E322 IonicContact CZ-OE2 2.77Å; R218-E322 IonicContact NE-OE1 3.12Å; R218-E322 PolarHBondContact NE-OE1 3.32Å; R218-E322 IonicContact NE-OE2 3.76Å; R218-E322 PolarHBondContact NE-OE2 2.74Å; R218-E322 IonicContact NH2-OE1 3.98Å; R218-E322 IonicContact NH2-OE2 3.14Å; R218-E322 PolarHBondContact NH2-OE2 3.02Å; T319-E322 WeakPolarHBondContact CB-OE2 3.5Å; T319-E322 PolarHBondContact N-OE2 3.41Å; T319-E322 PolarHBondContact O-N 3.1Å; T319-E322 WeakPolarHBondContact OG1-CB 3.49Å; T319-E322 WeakPolarHBondContact OG1-CG 3.49Å; T319-E322 PolarHBondContact OG1-N 3.49Å; T319-E322 VanDerWaalsContact OG1-N 3.11Å; T319-E322 PolarHBondContact OG1-OE2 2.88Å; E322-H326 WeakPolarHBondContact O-CA 3.48Å; E322-H326 PolarHBondContact O-N 3.24Å; E322-I329 HydrophobicContact CG-CD1 4.27Å; E322-Y331 PolarHBondContact OE1-OH 3.29Å; E322-L332 HydrophobicContact CB-CD1 3.98Å; E322-L332 HydrophobicContact CG-CD1 3.97Å; E322-F342 WeakPolarHBondContact OE1-CE2 3.5Å |
| 323 | T | 95.3 | Very high | 93.2 | Very high | 57 Ų | 57 | 33 Ų | 33 | 35% | 0.35 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -70.1 | -45.1 | 176.4 | -60.7 | 0 | 0 | 0 | 0 | 112.3 | F309 L313 T319 T320 W321 | F309-T323 HydrophobicContact CE2-CG2 4.45Å; F309-T323 HydrophobicContact CZ-CG2 4.36Å; L313-T323 WeakPolarHBondContact CD2-OG1 3.47Å; T319-T323 PolarHBondContact O-N 3.11Å; T319-T323 PolarHBondContact O-OG1 2.96Å; T320-T323 PolarHBondContact O-N 3.35Å; W321-T323 VanDerWaalsContact C-N 3.3Å; W321-T323 PolarHBondContact O-N 3.28Å |
| 324 | V | 94.5 | Very high | 92.5 | Very high | 103 Ų | 103 | 37.2 Ų | 37.2 | 62% | 0.624 | 20% | 0.203 | S | C | * | . | H | α-helix | trans | -85.1 | -25 | -172.6 | 174.8 | 0 | 0 | 0 | 0 | 112.9 | T320 W321 | T320-V324 HydrophobicContact CG2-CG2 4.21Å; T320-V324 WeakPolarHBondContact O-CB 3.13Å; T320-V324 VanDerWaalsContact O-CG2 3.31Å; T320-V324 WeakPolarHBondContact O-CG2 3.45Å; T320-V324 PolarHBondContact O-N 2.75Å; W321-V324 PolarHBondContact O-N 3.22Å |
| 325 | A | 94 | Very high | 92.1 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 3% | 0.033 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -118.8 | 15.6 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | W321 D327 R328 I329 | W321-A325 WeakPolarHBondContact O-CA 3.31Å; W321-A325 VanDerWaalsContact O-CB 3.25Å; W321-A325 WeakPolarHBondContact O-CB 3.12Å; W321-A325 PolarHBondContact O-N 2.69Å; A325-D327 VanDerWaalsContact C-N 3.32Å; A325-D327 PolarHBondContact O-N 3.42Å; A325-D327 VanDerWaalsContact O-N 3.1Å; A325-R328 WeakPolarHBondContact O-CA 3.39Å; A325-R328 WeakPolarHBondContact O-CB 3.5Å; A325-R328 PolarHBondContact O-N 3.38Å; A325-I329 HydrophobicContact CB-CD1 4.13Å; A325-I329 HydrophobicContact CB-CG1 4.32Å; A325-I329 WeakPolarHBondContact O-CG1 3.44Å; A325-I329 PolarHBondContact O-N 2.72Å |
| 326 | H | 92 | Very high | 91.6 | Very high | 18 Ų | 18 | 41.3 Ų | 41.3 | 8% | 0.083 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | -34.2 | -58.9 | -177.7 | -174.6 | -83.9 | 0 | 0 | 0 | 114 | E322 R328 I329 L332 L335 | E322-H326 WeakPolarHBondContact O-CA 3.48Å; E322-H326 PolarHBondContact O-N 3.24Å; H326-R328 PolarHBondContact O-N 3.3Å; H326-R328 VanDerWaalsContact O-N 3.14Å; H326-I329 PolarHBondContact O-N 3.42Å; H326-I329 VanDerWaalsContact O-N 3.1Å; H326-L332 PolarHBondContact CE1-O 3.22Å; H326-L332 VanDerWaalsContact CE1-O 3.26Å; H326-L335 PolarHBondContact CE1-O 3.25Å |
| 327 | D | 89.9 | Confident | 91.2 | Very high | 120 Ų | 120 | 44.4 Ų | 44.4 | 64% | 0.642 | 24% | 0.24 | S | C | * | . | G | 310 helix | trans | -70 | -12.7 | -174.1 | -52 | -26.3 | 0 | 0 | 0 | 114.6 | A325 | A325-D327 VanDerWaalsContact C-N 3.32Å; A325-D327 PolarHBondContact O-N 3.42Å; A325-D327 VanDerWaalsContact O-N 3.1Å |
| 328 | R | 88.4 | Confident | 90.7 | Very high | 79 Ų | 79 | 50.3 Ų | 50.3 | 30% | 0.298 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -96.5 | -10.8 | 177.1 | -67 | -179.5 | -73.6 | 174.1 | -6.1 | 112.6 | D112 A325 H326 | D112-R328 WeakPolarHBondContact OD1-CD 3.46Å; D112-R328 IonicContact OD1-CZ 3.65Å; D112-R328 IonicContact OD1-NE 3.41Å; D112-R328 IonicContact OD1-NH1 3.76Å; D112-R328 PolarHBondContact OD1-NH1 2.96Å; D112-R328 IonicContact OD2-NH1 2.7Å; A325-R328 WeakPolarHBondContact O-CA 3.39Å; A325-R328 WeakPolarHBondContact O-CB 3.5Å; A325-R328 PolarHBondContact O-N 3.38Å; H326-R328 PolarHBondContact O-N 3.3Å; H326-R328 VanDerWaalsContact O-N 3.14Å |
| 329 | I | 90.4 | Very high | 90.5 | Very high | 1 Ų | 1 | 50.4 Ų | 50.4 | 1% | 0.005 | 27% | 0.272 | C | S | . | . | trans | -91.9 | 116.7 | -173.9 | -64.2 | 170.6 | 0 | 0 | 0 | 108.4 | W321 E322 A325 H326 Y331 L332 Q333 | W321-I329 HydrophobicContact CD2-CD1 3.74Å; W321-I329 HydrophobicContact CD2-CG1 4.39Å; W321-I329 HydrophobicContact CE3-CD1 3.82Å; W321-I329 HydrophobicContact CG-CD1 4.45Å; W321-I329 HydrophobicContact CH2-CB 4.28Å; W321-I329 HydrophobicContact CH2-CD1 3.67Å; W321-I329 HydrophobicContact CH2-CG1 3.55Å; W321-I329 HydrophobicContact CH2-CG2 3.79Å; W321-I329 HydrophobicContact CZ2-CB 4.45Å; W321-I329 HydrophobicContact CZ2-CD1 3.66Å; W321-I329 HydrophobicContact CZ2-CG1 3.38Å; W321-I329 HydrophobicContact CZ2-CG2 4.43Å; W321-I329 HydrophobicContact CZ3-CD1 3.76Å; W321-I329 HydrophobicContact CZ3-CG1 4.18Å; W321-I329 HydrophobicContact CZ3-CG2 4.31Å; E322-I329 HydrophobicContact CG-CD1 4.27Å; A325-I329 HydrophobicContact CB-CD1 4.13Å; A325-I329 HydrophobicContact CB-CG1 4.32Å; A325-I329 WeakPolarHBondContact O-CG1 3.44Å; A325-I329 PolarHBondContact O-N 2.72Å; H326-I329 PolarHBondContact O-N 3.42Å; H326-I329 VanDerWaalsContact O-N 3.1Å; I329-Y331 HydrophobicContact CG2-CD1 3.41Å; I329-Y331 VanDerWaalsContact CG2-CD1 3.41Å; I329-Y331 HydrophobicContact CG2-CD2 4.12Å; I329-Y331 HydrophobicContact CG2-CE1 3.18Å; I329-Y331 HydrophobicContact CG2-CE2 3.9Å; I329-Y331 HydrophobicContact CG2-CG 3.89Å; I329-Y331 VanDerWaalsContact CG2-CZ 3.44Å; I329-Y331 PolarHBondContact O-N 3.33Å; I329-L332 HydrophobicContact CB-CB 4.11Å; I329-L332 HydrophobicContact CB-CD1 4.19Å; I329-L332 HydrophobicContact CB-CG 4.26Å; I329-L332 HydrophobicContact CD1-CD1 3.93Å; I329-L332 HydrophobicContact CG2-CB 4.17Å; I329-L332 HydrophobicContact CG2-CD1 4.06Å; I329-L332 HydrophobicContact CG2-CG 3.9Å; I329-L332 PolarHBondContact O-N 3.12Å; I329-Q333 PolarHBondContact O-N 3.45Å | ||
| 330 | T | 87.6 | Confident | 90.3 | Very high | 10 Ų | 10 | 51 Ų | 51 | 6% | 0.061 | 28% | 0.276 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -58.5 | -28.5 | -170.4 | 59.3 | 0 | 0 | 0 | 0 | 114.6 | V106 R206 Q333 | V106-T330 HydrophobicContact CB-CG2 4.34Å; V106-T330 HydrophobicContact CG1-CG2 3.89Å; R206-T330 WeakPolarHBondContact CD-OG1 3.48Å; R206-T330 HydrophobicContact CG-CG2 4.4Å; R206-T330 WeakPolarHBondContact CG-OG1 3.21Å; T330-Q333 WeakPolarHBondContact O-CG 2.98Å; T330-Q333 PolarHBondContact O-NE2 3.02Å |
| 331 | Y | 86.9 | Confident | 90 | Very high | 2 Ų | 2 | 49.9 Ų | 49.9 | 1% | 0.008 | 27% | 0.268 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -90.7 | -6.8 | 177.4 | 68.5 | -98.7 | 0 | 0 | 0 | 113.8 | L217 R218 W321 E322 I329 F342 Y366 | L217-Y331 HydrophobicContact CD2-CD1 4.37Å; L217-Y331 HydrophobicContact CD2-CD2 3.89Å; L217-Y331 HydrophobicContact CD2-CE2 4.39Å; L217-Y331 HydrophobicContact CD2-CG 3.89Å; L217-Y331 HydrophobicContact CG-CD1 4.28Å; L217-Y331 HydrophobicContact CG-CG 4.26Å; R218-Y331 WeakPolarHBondContact CA-OH 3.42Å; W321-Y331 HydrophobicContact CH2-CE1 4.23Å; W321-Y331 HydrophobicContact CZ3-CE1 4.23Å; W321-Y331 WeakPolarHBondContact CZ3-OH 2.99Å; E322-Y331 PolarHBondContact OE1-OH 3.29Å; I329-Y331 HydrophobicContact CG2-CD1 3.41Å; I329-Y331 VanDerWaalsContact CG2-CD1 3.41Å; I329-Y331 HydrophobicContact CG2-CD2 4.12Å; I329-Y331 HydrophobicContact CG2-CE1 3.18Å; I329-Y331 HydrophobicContact CG2-CE2 3.9Å; I329-Y331 HydrophobicContact CG2-CG 3.89Å; I329-Y331 VanDerWaalsContact CG2-CZ 3.44Å; I329-Y331 PolarHBondContact O-N 3.33Å; Y331-F342 HydrophobicContact CD2-CE2 4.47Å; Y331-F342 HydrophobicContact CD2-CZ 4.26Å; Y331-F342 AromaticContact CE2-CE2 3.65Å; Y331-F342 HydrophobicContact CE2-CE2 3.65Å; Y331-F342 AromaticContact CE2-CZ 3.72Å; Y331-F342 HydrophobicContact CE2-CZ 3.72Å; Y331-Y366 HydrophobicContact CD2-CD2 4.23Å; Y331-Y366 AromaticContact CD2-CE2 3.94Å; Y331-Y366 HydrophobicContact CD2-CE2 3.94Å; Y331-Y366 WeakPolarHBondContact O-CE2 3.27Å; Y331-Y366 PolarHBondContact O-OH 3.34Å |
| 332 | L | 90.2 | Very high | 89.8 | Confident | 7 Ų | 7 | 49.1 Ų | 49.1 | 4% | 0.037 | 27% | 0.266 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -23 | 175.4 | -64.6 | -180 | 0 | 0 | 0 | 112.3 | E322 H326 I329 S334 L335 P341 | E322-L332 HydrophobicContact CB-CD1 3.98Å; E322-L332 HydrophobicContact CG-CD1 3.97Å; H326-L332 PolarHBondContact CE1-O 3.22Å; H326-L332 VanDerWaalsContact CE1-O 3.26Å; I329-L332 HydrophobicContact CB-CB 4.11Å; I329-L332 HydrophobicContact CB-CD1 4.19Å; I329-L332 HydrophobicContact CB-CG 4.26Å; I329-L332 HydrophobicContact CD1-CD1 3.93Å; I329-L332 HydrophobicContact CG2-CB 4.17Å; I329-L332 HydrophobicContact CG2-CD1 4.06Å; I329-L332 HydrophobicContact CG2-CG 3.9Å; I329-L332 PolarHBondContact O-N 3.12Å; L332-S334 PolarHBondContact O-N 3.34Å; L332-L335 HydrophobicContact CD2-CD1 4.08Å; L332-L335 WeakPolarHBondContact O-CB 3.16Å; L332-L335 PolarHBondContact O-N 2.78Å; L332-P341 HydrophobicContact CD2-CG 3.95Å |
| 333 | Q | 86.1 | Confident | 89.8 | Confident | 118 Ų | 118 | 52.1 Ų | 52.1 | 55% | 0.551 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.7 | -26.8 | -178 | 74.6 | -172.1 | 6.3 | 0 | 0 | 114.1 | I329 T330 | I329-Q333 PolarHBondContact O-N 3.45Å; T330-Q333 WeakPolarHBondContact O-CG 2.98Å; T330-Q333 PolarHBondContact O-NE2 3.02Å |
| 334 | S | 81.5 | Confident | 89.6 | Confident | 90 Ų | 90 | 52.8 Ų | 52.8 | 63% | 0.629 | 28% | 0.281 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -12.3 | 179 | 59.6 | 0 | 0 | 0 | 0 | 113.5 | L332 | L332-S334 PolarHBondContact O-N 3.34Š|
| 335 | L | 86.1 | Confident | 89.5 | Confident | 22 Ų | 22 | 49.5 Ų | 49.5 | 12% | 0.115 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -95.9 | 153.6 | -179.2 | -57.4 | -178.5 | 0 | 0 | 0 | 109.6 | H326 L332 E339 P341 Y366 Y373 | H326-L335 PolarHBondContact CE1-O 3.25Å; L332-L335 HydrophobicContact CD2-CD1 4.08Å; L332-L335 WeakPolarHBondContact O-CB 3.16Å; L332-L335 PolarHBondContact O-N 2.78Å; L335-E339 WeakPolarHBondContact CA-OE2 3.41Å; L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 WeakPolarHBondContact CB-OE2 3.47Å; L335-P341 HydrophobicContact CD1-CB 4.11Å; L335-P341 HydrophobicContact CD1-CG 3.65Å; L335-Y366 HydrophobicContact CD1-CE2 4.18Å; L335-Y373 HydrophobicContact CD1-CE2 4.47Å; L335-Y373 HydrophobicContact CD2-CD2 3.94Å; L335-Y373 HydrophobicContact CD2-CE2 4.45Å |
| 336 | K | 87.7 | Confident | 89.3 | Confident | 129 Ų | 129 | 55.1 Ų | 55.1 | 56% | 0.561 | 29% | 0.292 | S | S | * | . | trans | -68.7 | 153.7 | 171.3 | -59.9 | 175.4 | -176.1 | 167.4 | 0 | 109.7 | D338 E339 | K336-D338 WeakPolarHBondContact CB-OD1 3.34Å; K336-D338 PolarHBondContact O-N 3.18Å; K336-D338 VanDerWaalsContact O-N 3.14Å; K336-E339 HydrophobicContact CB-CG 4.03Å; K336-E339 PolarHBondContact N-OE2 2.95Å; K336-E339 WeakPolarHBondContact O-CB 3.16Å; K336-E339 PolarHBondContact O-N 3.38Å | ||
| 337 | S | 85.1 | Confident | 89.3 | Confident | 93 Ų | 93 | 61 Ų | 61 | 65% | 0.65 | 32% | 0.323 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.2 | -27.3 | -176.8 | 54.3 | 0 | 0 | 0 | 0 | 114.4 | ||
| 338 | D | 86.2 | Confident | 89.4 | Confident | 128 Ų | 128 | 62.1 Ų | 62.1 | 68% | 0.684 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -83.3 | -16.9 | 176.3 | 61.8 | -40 | 0 | 0 | 0 | 113.2 | K336 | K336-D338 WeakPolarHBondContact CB-OD1 3.34Å; K336-D338 PolarHBondContact O-N 3.18Å; K336-D338 VanDerWaalsContact O-N 3.14Å |
| 339 | E | 90.1 | Very high | 89.6 | Confident | 32 Ų | 32 | 58.3 Ų | 58.3 | 15% | 0.15 | 30% | 0.304 | C | S | . | . | trans | -73 | 148.7 | 175.8 | -69.1 | 170.2 | 173.8 | 0 | 0 | 111 | K318 L335 K336 Y373 | K318-E339 PolarHBondContact NZ-O 3.08Å; L335-E339 WeakPolarHBondContact CA-OE2 3.41Å; L335-E339 HydrophobicContact CB-CB 4.14Å; L335-E339 WeakPolarHBondContact CB-OE2 3.47Å; K336-E339 HydrophobicContact CB-CG 4.03Å; K336-E339 PolarHBondContact N-OE2 2.95Å; K336-E339 WeakPolarHBondContact O-CB 3.16Å; K336-E339 PolarHBondContact O-N 3.38Å; E339-Y373 HydrophobicContact CB-CE1 4.16Å; E339-Y373 HydrophobicContact CB-CE2 4.25Å; E339-Y373 HydrophobicContact CG-CD1 4.07Å; E339-Y373 HydrophobicContact CG-CE1 3.85Å | ||
| 340 | N | 93.1 | Very high | 89.7 | Confident | 13 Ų | 13 | 60.1 Ų | 60.1 | 7% | 0.07 | 32% | 0.316 | C | S | . | . | trans | -149.6 | 95.7 | -178 | -177.5 | 1.9 | 0 | 0 | 0 | 110.2 | V316 K318 F342 N343 Y373 | V316-N340 PolarHBondContact O-ND2 2.89Å; K318-N340 VanDerWaalsContact CE-ND2 3.27Å; K318-N340 WeakPolarHBondContact CE-ND2 3.3Å; K318-N340 VanDerWaalsContact CG-ND2 3.28Å; K318-N340 WeakPolarHBondContact CG-ND2 3.26Å; N340-F342 PolarHBondContact O-N 2.87Å; N340-F342 PolarHBondContact OD1-N 2.8Å; N340-N343 HydrophobicContact CB-CB 4.14Å; N340-N343 PolarHBondContact O-N 3.05Å; N340-Y373 PolarHBondContact N-OH 3.42Å; N340-Y373 PolarHBondContact O-OH 2.86Å; N340-Y373 VanDerWaalsContact O-OH 3.08Å | ||
| 341 | P | 92.3 | Very high | 89.9 | Confident | 1 Ų | 1 | 65.9 Ų | 65.9 | 1% | 0.006 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -67.5 | -14.7 | -172.5 | 28.3 | -34.9 | 0 | 0 | 0 | 113 | L332 L335 I365 Y366 S369 Y373 | L332-P341 HydrophobicContact CD2-CG 3.95Å; L335-P341 HydrophobicContact CD1-CB 4.11Å; L335-P341 HydrophobicContact CD1-CG 3.65Å; P341-I365 WeakPolarHBondContact O-CG2 3.44Å; P341-Y366 HydrophobicContact CB-CD2 3.67Å; P341-Y366 HydrophobicContact CB-CE2 4.02Å; P341-Y366 HydrophobicContact CB-CG 4.36Å; P341-Y366 HydrophobicContact CG-CD2 3.65Å; P341-Y366 HydrophobicContact CG-CE2 3.79Å; P341-S369 VanDerWaalsContact O-CB 3.31Å; P341-S369 WeakPolarHBondContact O-CB 3.32Å; P341-S369 PolarHBondContact O-OG 3.36Å; P341-Y373 HydrophobicContact CB-CE2 4.27Å |
| 342 | F | 93.4 | Very high | 90 | Very high | 1 Ų | 1 | 66.4 Ų | 66.4 | 0% | 0.004 | 34% | 0.342 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -98.9 | -5.6 | -178.5 | -51.9 | -63.5 | 0 | 0 | 0 | 114.2 | L217 R218 N317 E322 Y331 N340 Q344 W362 I365 Y366 | L217-F342 HydrophobicContact CD2-CE1 4.3Å; L217-F342 HydrophobicContact CD2-CZ 3.97Å; R218-F342 HydrophobicContact CG-CE1 4.18Å; R218-F342 HydrophobicContact CG-CE2 3.93Å; R218-F342 HydrophobicContact CG-CZ 3.63Å; N317-F342 HydrophobicContact CB-CB 4.45Å; N317-F342 WeakPolarHBondContact CB-O 3.44Å; N317-F342 PolarHBondContact ND2-O 3.07Å; E322-F342 WeakPolarHBondContact OE1-CE2 3.5Å; Y331-F342 HydrophobicContact CD2-CE2 4.47Å; Y331-F342 HydrophobicContact CD2-CZ 4.26Å; Y331-F342 AromaticContact CE2-CE2 3.65Å; Y331-F342 HydrophobicContact CE2-CE2 3.65Å; Y331-F342 AromaticContact CE2-CZ 3.72Å; Y331-F342 HydrophobicContact CE2-CZ 3.72Å; N340-F342 PolarHBondContact O-N 2.87Å; N340-F342 PolarHBondContact OD1-N 2.8Å; F342-Q344 PolarHBondContact O-N 3.04Å; F342-W362 AromaticContact CD1-CE3 3.84Å; F342-W362 HydrophobicContact CD1-CE3 3.84Å; F342-W362 HydrophobicContact CE1-CB 4.19Å; F342-W362 HydrophobicContact CE1-CE3 4.38Å; F342-W362 HydrophobicContact CG-CE3 4.49Å; F342-I365 HydrophobicContact CD1-CG2 4.04Å; F342-Y366 HydrophobicContact CE1-CD2 4.32Å; F342-Y366 HydrophobicContact CZ-CD2 4.13Å |
| 343 | N | 94.3 | Very high | 90 | Very high | 66 Ų | 66 | 67.1 Ų | 67.1 | 35% | 0.353 | 35% | 0.345 | S | S | . | . | trans | -71.7 | 120.9 | 174.9 | -173.1 | 4.7 | 0 | 0 | 0 | 109.9 | N340 G345 N349 | N340-N343 HydrophobicContact CB-CB 4.14Å; N340-N343 PolarHBondContact O-N 3.05Å; N343-G345 PolarHBondContact OD1-N 2.9Å; N343-N349 PolarHBondContact OD1-ND2 2.81Å | ||
| 344 | Q | 91.6 | Very high | 90.2 | Very high | 71 Ų | 71 | 65.6 Ų | 65.6 | 33% | 0.332 | 35% | 0.347 | S | S | . | . | trans | -119.3 | 16.4 | 178.9 | -62.7 | -71.1 | -64.8 | 0 | 0 | 112 | F342 W348 N349 I365 | F342-Q344 PolarHBondContact O-N 3.04Å; Q344-W348 HydrophobicContact CB-CB 4.05Å; Q344-W348 VanDerWaalsContact CB-CD1 3.41Å; Q344-W348 HydrophobicContact CB-CG 4.06Å; Q344-N349 PolarHBondContact N-OD1 2.91Å; Q344-I365 HydrophobicContact CG-CG2 4.26Å | ||
| 345 | G | 91.9 | Very high | 90.3 | Very high | 34 Ų | 34 | 64.5 Ų | 64.5 | 35% | 0.351 | 34% | 0.338 | S | S | . | . | trans | 92.6 | 156.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | N343 L347 W348 N349 | N343-G345 PolarHBondContact OD1-N 2.9Å; G345-L347 PolarHBondContact O-N 3.26Å; G345-W348 PolarHBondContact O-N 2.94Å; G345-N349 VanDerWaalsContact O-CB 3.3Å; G345-N349 WeakPolarHBondContact O-CB 3.45Å; G345-N349 PolarHBondContact O-N 2.89Å; G345-N349 PolarHBondContact O-ND2 3.35Å; G345-N349 PolarHBondContact O-OD1 3.46Å | ||
| 346 | F | 91.2 | Very high | 89.3 | Confident | 123 Ų | 123 | 65.3 Ų | 65.3 | 54% | 0.539 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -53.1 | -53.1 | -170.2 | 176.6 | -91.5 | 0 | 0 | 0 | 113.3 | L315 W348 N349 C350 | L315-F346 HydrophobicContact CB-CD2 4.38Å; L315-F346 HydrophobicContact CD1-CD2 4.19Å; L315-F346 HydrophobicContact CD1-CE2 3.72Å; L315-F346 HydrophobicContact CD2-CD2 3.58Å; L315-F346 HydrophobicContact CD2-CE2 3.13Å; L315-F346 HydrophobicContact CD2-CZ 3.87Å; L315-F346 HydrophobicContact CG-CD2 4.22Å; L315-F346 HydrophobicContact CG-CE2 3.93Å; F346-W348 PolarHBondContact O-N 3.14Å; F346-N349 PolarHBondContact O-N 3.46Å; F346-C350 WeakPolarHBondContact O-CB 3.5Å; F346-C350 PolarHBondContact O-N 3.06Å; F346-C350 PolarHBondContact O-SG 3.26Å |
| 347 | L | 91.6 | Very high | 88.1 | Confident | 141 Ų | 141 | 69.6 Ų | 69.6 | 74% | 0.738 | 36% | 0.358 | S | S | * | . | H | α-helix | trans | -64.8 | -43.2 | -176.7 | -66.2 | 176.3 | 0 | 0 | 0 | 112.2 | G345 C350 Y351 | G345-L347 PolarHBondContact O-N 3.26Å; L347-C350 PolarHBondContact O-N 2.97Å; L347-Y351 WeakPolarHBondContact O-CB 3.03Å; L347-Y351 PolarHBondContact O-N 3.15Å |
| 348 | W | 91.2 | Very high | 86.7 | Confident | 143 Ų | 143 | 71.8 Ų | 71.8 | 54% | 0.542 | 36% | 0.358 | S | S | . | . | H | α-helix | trans | -71.1 | -35.8 | -179.6 | -161.4 | -108.8 | 0 | 0 | 0 | 112 | Q344 G345 F346 Y351 A352 | Q344-W348 HydrophobicContact CB-CB 4.05Å; Q344-W348 VanDerWaalsContact CB-CD1 3.41Å; Q344-W348 HydrophobicContact CB-CG 4.06Å; G345-W348 PolarHBondContact O-N 2.94Å; F346-W348 PolarHBondContact O-N 3.14Å; W348-Y351 HydrophobicContact CE3-CD1 4.13Å; W348-Y351 HydrophobicContact CH2-CD1 4.08Å; W348-Y351 HydrophobicContact CH2-CE1 4.08Å; W348-Y351 HydrophobicContact CZ2-CD1 4.48Å; W348-Y351 AromaticContact CZ3-CD1 3.89Å; W348-Y351 HydrophobicContact CZ3-CD1 3.89Å; W348-Y351 HydrophobicContact CZ3-CE1 4.22Å; W348-Y351 PolarHBondContact O-N 3.41Å; W348-A352 WeakPolarHBondContact O-CB 3.32Å; W348-A352 PolarHBondContact O-N 3.4Å |
| 349 | N | 94.1 | Very high | 85.3 | Confident | 0 Ų | 0 | 66.3 Ų | 66.3 | 0% | 0 | 33% | 0.33 | C | S | . | . | H | α-helix | trans | -64.6 | -44.3 | 173.7 | -67.6 | -16 | 0 | 0 | 0 | 111.1 | L315 N317 N343 Q344 G345 F346 A352 F353 | L315-N349 WeakPolarHBondContact O-CB 3.33Å; L315-N349 PolarHBondContact O-ND2 3.24Å; N317-N349 HydrophobicContact CB-CB 4.19Å; N343-N349 PolarHBondContact OD1-ND2 2.81Å; Q344-N349 PolarHBondContact N-OD1 2.91Å; G345-N349 VanDerWaalsContact O-CB 3.3Å; G345-N349 WeakPolarHBondContact O-CB 3.45Å; G345-N349 PolarHBondContact O-N 2.89Å; G345-N349 PolarHBondContact O-ND2 3.35Å; G345-N349 PolarHBondContact O-OD1 3.46Å; F346-N349 PolarHBondContact O-N 3.46Å; N349-A352 PolarHBondContact O-N 3.21Å; N349-F353 WeakPolarHBondContact O-CB 3.36Å; N349-F353 PolarHBondContact O-N 3.09Å |
| 350 | C | 92.2 | Very high | 84 | Confident | 38 Ų | 38 | 68.7 Ų | 68.7 | 26% | 0.257 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.4 | -46.7 | 174.7 | -71.8 | 0 | 0 | 0 | 0 | 111.9 | L315 F346 L347 F353 C354 | L315-C350 WeakPolarHBondContact CD2-SG 3.47Å; F346-C350 WeakPolarHBondContact O-CB 3.5Å; F346-C350 PolarHBondContact O-N 3.06Å; F346-C350 PolarHBondContact O-SG 3.26Å; L347-C350 PolarHBondContact O-N 2.97Å; C350-F353 PolarHBondContact O-N 3.27Å; C350-C354 WeakPolarHBondContact O-CB 3.19Å; C350-C354 PolarHBondContact O-N 3.22Å; C350-C354 PolarHBondContact O-SG 3.36Å |
| 351 | Y | 90.9 | Very high | 83.3 | Confident | 132 Ų | 132 | 68.9 Ų | 68.9 | 52% | 0.518 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -60.4 | -47.4 | 175.9 | 176.6 | -101.8 | 0 | 0 | 0 | 111.4 | L347 W348 F353 C354 C355 | L347-Y351 WeakPolarHBondContact O-CB 3.03Å; L347-Y351 PolarHBondContact O-N 3.15Å; W348-Y351 HydrophobicContact CE3-CD1 4.13Å; W348-Y351 HydrophobicContact CH2-CD1 4.08Å; W348-Y351 HydrophobicContact CH2-CE1 4.08Å; W348-Y351 HydrophobicContact CZ2-CD1 4.48Å; W348-Y351 AromaticContact CZ3-CD1 3.89Å; W348-Y351 HydrophobicContact CZ3-CD1 3.89Å; W348-Y351 HydrophobicContact CZ3-CE1 4.22Å; W348-Y351 PolarHBondContact O-N 3.41Å; Y351-F353 VanDerWaalsContact C-N 3.33Å; Y351-F353 PolarHBondContact O-N 3.47Å; Y351-C354 PolarHBondContact O-N 3.18Å; Y351-C355 HydrophobicContact CD2-CB 3.98Å; Y351-C355 HydrophobicContact CE2-CB 3.78Å; Y351-C355 WeakPolarHBondContact O-CA 3.48Å; Y351-C355 VanDerWaalsContact O-CB 3.24Å; Y351-C355 WeakPolarHBondContact O-CB 3.49Å; Y351-C355 PolarHBondContact O-N 3.38Å |
| 352 | A | 88.4 | Confident | 83 | Confident | 12 Ų | 12 | 69.5 Ų | 69.5 | 10% | 0.099 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -61.2 | -43.4 | 176.3 | 0 | 0 | 0 | 0 | 0 | 110.9 | W348 N349 S356 | W348-A352 WeakPolarHBondContact O-CB 3.32Å; W348-A352 PolarHBondContact O-N 3.4Å; N349-A352 PolarHBondContact O-N 3.21Å; A352-S356 WeakPolarHBondContact O-CB 3.47Å; A352-S356 PolarHBondContact O-N 3.33Å; A352-S356 PolarHBondContact O-OG 3.22Å |
| 353 | F | 91.8 | Very high | 82.5 | Confident | 22 Ų | 22 | 70.4 Ų | 70.4 | 10% | 0.096 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -65.2 | -45.4 | -178.9 | -170.1 | -94.4 | 0 | 0 | 0 | 112.6 | H248 S249 V252 A314 N349 C350 Y351 | H248-F353 HydrophobicContact CB-CE2 4.24Å; H248-F353 HydrophobicContact CB-CZ 4.27Å; H248-F353 AromaticContact CD2-CE2 3.79Å; H248-F353 AromaticContact CD2-CZ 3.59Å; H248-F353 AromaticContact CE1-CE2 3.82Å; H248-F353 AromaticContact CG-CE2 3.62Å; H248-F353 AromaticContact CG-CZ 3.76Å; H248-F353 AromaticContact ND1-CE2 3.66Å; H248-F353 AromaticContact NE2-CE2 3.9Å; H248-F353 AromaticContact NE2-CZ 3.98Å; S249-F353 WeakPolarHBondContact CB-O 3.49Å; V252-F353 HydrophobicContact CB-CE1 3.99Å; V252-F353 HydrophobicContact CB-CZ 4.19Å; V252-F353 HydrophobicContact CG1-CE1 4.47Å; V252-F353 HydrophobicContact CG2-CE1 3.82Å; V252-F353 HydrophobicContact CG2-CZ 3.51Å; A314-F353 HydrophobicContact CB-CB 4.5Å; A314-F353 HydrophobicContact CB-CD1 3.88Å; A314-F353 HydrophobicContact CB-CD2 3.7Å; A314-F353 HydrophobicContact CB-CE1 3.95Å; A314-F353 HydrophobicContact CB-CE2 3.79Å; A314-F353 HydrophobicContact CB-CG 3.76Å; A314-F353 HydrophobicContact CB-CZ 3.93Å; N349-F353 WeakPolarHBondContact O-CB 3.36Å; N349-F353 PolarHBondContact O-N 3.09Å; C350-F353 PolarHBondContact O-N 3.27Å; Y351-F353 VanDerWaalsContact C-N 3.33Å; Y351-F353 PolarHBondContact O-N 3.47Å |
| 354 | C | 89.8 | Confident | 81.9 | Confident | 87 Ų | 87 | 73.7 Ų | 73.7 | 59% | 0.588 | 36% | 0.357 | S | S | * | . | H | α-helix | trans | -82.3 | -36.7 | -175.8 | -65 | 0 | 0 | 0 | 0 | 113.4 | C350 Y351 | C350-C354 WeakPolarHBondContact O-CB 3.19Å; C350-C354 PolarHBondContact O-N 3.22Å; C350-C354 PolarHBondContact O-SG 3.36Å; Y351-C354 PolarHBondContact O-N 3.18Å |
| 355 | C | 83.7 | Confident | 81.7 | Confident | 66 Ų | 66 | 71.8 Ų | 71.8 | 45% | 0.446 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -116.9 | -15.6 | -166 | -57.8 | 0 | 0 | 0 | 0 | 114.1 | Y351 R357 | Y351-C355 HydrophobicContact CD2-CB 3.98Å; Y351-C355 HydrophobicContact CE2-CB 3.78Å; Y351-C355 WeakPolarHBondContact O-CA 3.48Å; Y351-C355 VanDerWaalsContact O-CB 3.24Å; Y351-C355 WeakPolarHBondContact O-CB 3.49Å; Y351-C355 PolarHBondContact O-N 3.38Å; C355-R357 PolarHBondContact O-N 3.18Å |
| 356 | S | 65.5 | Low | 81.5 | Confident | 39 Ų | 39 | 70.7 Ų | 70.7 | 27% | 0.273 | 33% | 0.334 | S | S | . | . | trans | -68.8 | 111.8 | -178.6 | 75.4 | 0 | 0 | 0 | 0 | 110.7 | A352 | A352-S356 WeakPolarHBondContact O-CB 3.47Å; A352-S356 PolarHBondContact O-N 3.33Å; A352-S356 PolarHBondContact O-OG 3.22Å | ||
| 357 | R | 60.6 | Low | 81.1 | Confident | 220 Ų | 220 | 65.2 Ų | 65.2 | 83% | 0.83 | 31% | 0.312 | S | S | * | . | trans | -101.3 | 13.1 | 168.6 | -70.1 | -169.9 | 168.1 | 97.5 | -1.3 | 112.2 | C355 P359 | C355-R357 PolarHBondContact O-N 3.18Å; R357-P359 WeakPolarHBondContact O-CD 3.37Å | ||
| 358 | H | 55.7 | Low | 80.7 | Confident | 138 Ų | 138 | 62 Ų | 62 | 64% | 0.639 | 30% | 0.295 | S | S | * | . | trans | -115.9 | 99.6 | -173 | -71.2 | -72 | 0 | 0 | 0 | 111.6 | Y360 | H358-Y360 PolarHBondContact O-N 3.23Š| ||
| 359 | P | 57.2 | Low | 80.4 | Confident | 14 Ų | 14 | 55.1 Ų | 55.1 | 9% | 0.091 | 27% | 0.269 | C | S | . | . | trans | -59.6 | 10 | 176.4 | -23.6 | 31.2 | 0 | 0 | 0 | 116.9 | F85 L230 E245 R357 | F85-P359 WeakPolarHBondContact CE1-O 3.49Å; F85-P359 HydrophobicContact CZ-CB 4.24Å; F85-P359 WeakPolarHBondContact CZ-O 3.35Å; L230-P359 HydrophobicContact CD1-CB 4.12Å; L230-P359 HydrophobicContact CD1-CG 4.43Å; E245-P359 WeakPolarHBondContact OE1-CA 3.38Å; E245-P359 WeakPolarHBondContact OE2-CA 3.43Å; E245-P359 WeakPolarHBondContact OE2-CB 3.42Å; R357-P359 WeakPolarHBondContact O-CD 3.37Å | ||
| 360 | Y | 63.2 | Low | 79.6 | Confident | 81 Ų | 81 | 56.4 Ų | 56.4 | 32% | 0.318 | 28% | 0.28 | S | S | . | . | trans | -125.8 | 29.4 | -138.3 | -68.6 | -32.3 | 0 | 0 | 0 | 111.2 | W84 F85 R88 H358 | W84-Y360 AromaticContact CE3-CD1 3.93Å; W84-Y360 HydrophobicContact CE3-CD1 3.93Å; W84-Y360 HydrophobicContact CE3-CE1 4.08Å; W84-Y360 AromaticContact CH2-CD1 3.24Å; W84-Y360 HydrophobicContact CH2-CD1 3.24Å; W84-Y360 HydrophobicContact CH2-CD2 4.15Å; W84-Y360 AromaticContact CH2-CE1 3.99Å; W84-Y360 HydrophobicContact CH2-CE1 3.99Å; W84-Y360 AromaticContact CH2-CG 3.35Å; W84-Y360 HydrophobicContact CH2-CG 3.35Å; W84-Y360 HydrophobicContact CZ2-CD1 4.19Å; W84-Y360 HydrophobicContact CZ2-CG 4.17Å; W84-Y360 AromaticContact CZ3-CD1 3.15Å; W84-Y360 HydrophobicContact CZ3-CD1 3.15Å; W84-Y360 AromaticContact CZ3-CE1 3.76Å; W84-Y360 HydrophobicContact CZ3-CE1 3.76Å; W84-Y360 AromaticContact CZ3-CG 3.8Å; W84-Y360 HydrophobicContact CZ3-CG 3.8Å; F85-Y360 AromaticContact CE1-CD1 3.9Å; F85-Y360 HydrophobicContact CE1-CD1 3.9Å; F85-Y360 HydrophobicContact CE1-CE1 4.46Å; F85-Y360 HydrophobicContact CE2-CE1 4.36Å; F85-Y360 AromaticContact CZ-CD1 3.71Å; F85-Y360 HydrophobicContact CZ-CD1 3.71Å; F85-Y360 AromaticContact CZ-CE1 3.88Å; F85-Y360 HydrophobicContact CZ-CE1 3.88Å; R88-Y360 PolarHBondContact NH1-O 3.28Å; H358-Y360 PolarHBondContact O-N 3.23Å | ||
| 361 | G | 78.1 | Confident | 78.8 | Confident | 17 Ų | 17 | 60.6 Ų | 60.6 | 18% | 0.175 | 30% | 0.295 | C | S | . | . | trans | -148.6 | -2.2 | -175.6 | 0 | 0 | 0 | 0 | 0 | 116.1 | D363 R364 I365 | G361-D363 PolarHBondContact O-N 3.04Å; G361-R364 PolarHBondContact O-N 3.35Å; G361-R364 VanDerWaalsContact O-N 3.14Å; G361-I365 WeakPolarHBondContact O-CG1 3.08Å; G361-I365 PolarHBondContact O-N 2.91Å | ||
| 362 | W | 87.3 | Confident | 78.3 | Confident | 14 Ų | 14 | 60.4 Ų | 60.4 | 5% | 0.053 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -60 | -36.9 | -176.8 | -59.1 | 120.9 | 0 | 0 | 0 | 112.5 | L217 R218 K231 E245 F342 R364 I365 Y366 | L217-W362 HydrophobicContact CB-CB 4.32Å; R218-W362 HydrophobicContact CG-CB 4.46Å; R218-W362 HydrophobicContact CG-CG 4.35Å; R218-W362 VanDerWaalsContact NH1-CE3 3.32Å; R218-W362 VanDerWaalsContact NH1-CH2 3.29Å; K231-W362 HydrophobicContact CD-CZ2 3.79Å; E245-W362 PolarHBondContact OE1-NE1 3.48Å; F342-W362 AromaticContact CD1-CE3 3.84Å; F342-W362 HydrophobicContact CD1-CE3 3.84Å; F342-W362 HydrophobicContact CE1-CB 4.19Å; F342-W362 HydrophobicContact CE1-CE3 4.38Å; F342-W362 HydrophobicContact CG-CE3 4.49Å; W362-R364 PolarHBondContact O-N 2.77Å; W362-I365 HydrophobicContact CE3-CD1 3.83Å; W362-I365 HydrophobicContact CZ3-CD1 3.83Å; W362-I365 PolarHBondContact O-N 3.46Å; W362-Y366 VanDerWaalsContact O-CB 3.26Å; W362-Y366 WeakPolarHBondContact O-CB 3.09Å; W362-Y366 PolarHBondContact O-N 3.44Å |
| 363 | D | 83.1 | Confident | 77.8 | Confident | 20 Ų | 20 | 62.3 Ų | 62.3 | 11% | 0.107 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -61 | -43.4 | 177.3 | -66.1 | 21.1 | 0 | 0 | 0 | 111.5 | R89 L201 L217 G361 Y366 A367 | R89-D363 IonicContact CZ-OD2 2.73Å; R89-D363 IonicContact NE-OD2 2.89Å; R89-D363 PolarHBondContact NE-OD2 3.44Å; R89-D363 IonicContact NH2-OD1 2.93Å; R89-D363 IonicContact NH2-OD2 3.5Å; R89-D363 PolarHBondContact NH2-OD2 3.38Å; R89-D363 VanDerWaalsContact NH2-OD2 3.1Å; L201-D363 HydrophobicContact CD1-CB 3.68Å; L217-D363 HydrophobicContact CD1-CB 4.36Å; L217-D363 WeakPolarHBondContact CD1-OD1 3.41Å; G361-D363 PolarHBondContact O-N 3.04Å; D363-Y366 PolarHBondContact O-N 3.11Å; D363-A367 PolarHBondContact O-N 3.18Å; D363-A367 VanDerWaalsContact O-N 3.1Å |
| 364 | R | 80.6 | Confident | 76.9 | Confident | 136 Ų | 136 | 65.6 Ų | 65.6 | 51% | 0.513 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -68.7 | -45.3 | 176.3 | -175.5 | 175.9 | 68 | -169 | 3 | 112.2 | V199 G361 W362 Y366 A367 N368 | V199-R364 HydrophobicContact CG2-CB 4.41Å; V199-R364 HydrophobicContact CG2-CG 4.49Å; G361-R364 PolarHBondContact O-N 3.35Å; G361-R364 VanDerWaalsContact O-N 3.14Å; W362-R364 PolarHBondContact O-N 2.77Å; R364-Y366 VanDerWaalsContact C-N 3.26Å; R364-Y366 PolarHBondContact O-N 3.46Å; R364-A367 PolarHBondContact O-N 3.04Å; R364-N368 VanDerWaalsContact O-CG 3.25Å; R364-N368 PolarHBondContact O-N 3.07Å; R364-N368 VanDerWaalsContact O-N 3.11Å; R364-N368 PolarHBondContact O-OD1 3.46Å |
| 365 | I | 87.1 | Confident | 76.1 | Confident | 31 Ų | 31 | 63.7 Ų | 63.7 | 16% | 0.159 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.9 | -68.4 | 170.4 | 0 | 0 | 0 | 110.2 | P341 F342 Q344 G361 W362 S369 | P341-I365 WeakPolarHBondContact O-CG2 3.44Å; F342-I365 HydrophobicContact CD1-CG2 4.04Å; Q344-I365 HydrophobicContact CG-CG2 4.26Å; G361-I365 WeakPolarHBondContact O-CG1 3.08Å; G361-I365 PolarHBondContact O-N 2.91Å; W362-I365 HydrophobicContact CE3-CD1 3.83Å; W362-I365 HydrophobicContact CZ3-CD1 3.83Å; W362-I365 PolarHBondContact O-N 3.46Å; I365-S369 PolarHBondContact O-N 3.08Å; I365-S369 PolarHBondContact O-OG 3.09Å; I365-S369 VanDerWaalsContact O-OG 3.12Å |
| 366 | Y | 88.2 | Confident | 75.6 | Confident | 11 Ų | 11 | 64.8 Ų | 64.8 | 4% | 0.043 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -62.1 | -49.8 | 178.8 | -178.2 | -78.8 | 0 | 0 | 0 | 111.5 | L201 I203 L217 Y331 L335 P341 F342 W362 D363 R364 N368 S369 A370 | L201-Y366 HydrophobicContact CD2-CD1 3.63Å; L201-Y366 HydrophobicContact CD2-CE1 4.25Å; I203-Y366 HydrophobicContact CD1-CD1 3.41Å; I203-Y366 VanDerWaalsContact CD1-CD1 3.41Å; I203-Y366 HydrophobicContact CD1-CD2 4.33Å; I203-Y366 HydrophobicContact CD1-CE1 3.12Å; I203-Y366 HydrophobicContact CD1-CE2 4.08Å; I203-Y366 HydrophobicContact CD1-CG 4.02Å; I203-Y366 VanDerWaalsContact CD1-CZ 3.48Å; I203-Y366 HydrophobicContact CG1-CD1 4.49Å; I203-Y366 HydrophobicContact CG1-CE1 3.84Å; L217-Y366 HydrophobicContact CD2-CD1 4.45Å; L217-Y366 HydrophobicContact CD2-CD2 3.51Å; L217-Y366 HydrophobicContact CD2-CE2 4.24Å; L217-Y366 HydrophobicContact CD2-CG 3.63Å; Y331-Y366 HydrophobicContact CD2-CD2 4.23Å; Y331-Y366 AromaticContact CD2-CE2 3.94Å; Y331-Y366 HydrophobicContact CD2-CE2 3.94Å; Y331-Y366 WeakPolarHBondContact O-CE2 3.27Å; Y331-Y366 PolarHBondContact O-OH 3.34Å; L335-Y366 HydrophobicContact CD1-CE2 4.18Å; P341-Y366 HydrophobicContact CB-CD2 3.67Å; P341-Y366 HydrophobicContact CB-CE2 4.02Å; P341-Y366 HydrophobicContact CB-CG 4.36Å; P341-Y366 HydrophobicContact CG-CD2 3.65Å; P341-Y366 HydrophobicContact CG-CE2 3.79Å; F342-Y366 HydrophobicContact CE1-CD2 4.32Å; F342-Y366 HydrophobicContact CZ-CD2 4.13Å; W362-Y366 VanDerWaalsContact O-CB 3.26Å; W362-Y366 WeakPolarHBondContact O-CB 3.09Å; W362-Y366 PolarHBondContact O-N 3.44Å; D363-Y366 PolarHBondContact O-N 3.11Å; R364-Y366 VanDerWaalsContact C-N 3.26Å; R364-Y366 PolarHBondContact O-N 3.46Å; Y366-N368 PolarHBondContact O-N 3.14Å; Y366-S369 CarbonylContact O-C 3.6Å; Y366-S369 WeakPolarHBondContact O-CB 3.42Å; Y366-S369 PolarHBondContact O-N 3.01Å; Y366-S369 VanDerWaalsContact O-N 3.08Å; Y366-A370 HydrophobicContact CD1-CB 4.28Å; Y366-A370 HydrophobicContact CE1-CB 3.89Å; Y366-A370 PolarHBondContact O-N 3.35Å |
| 367 | A | 82.3 | Confident | 75.6 | Confident | 7 Ų | 7 | 66 Ų | 66 | 6% | 0.058 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -62.3 | -45.2 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | V199 L201 D363 R364 S369 A370 E371 | V199-A367 HydrophobicContact CB-CB 4.33Å; V199-A367 HydrophobicContact CG1-CB 2.95Å; L201-A367 HydrophobicContact CD2-CB 3.65Å; D363-A367 PolarHBondContact O-N 3.18Å; D363-A367 VanDerWaalsContact O-N 3.1Å; R364-A367 PolarHBondContact O-N 3.04Å; A367-S369 PolarHBondContact O-N 3.12Å; A367-S369 VanDerWaalsContact O-N 3.08Å; A367-A370 PolarHBondContact O-N 3.38Å; A367-E371 WeakPolarHBondContact O-CG 3.45Å; A367-E371 PolarHBondContact O-N 3.01Å |
| 368 | N | 83.2 | Confident | 75.8 | Confident | 73 Ų | 73 | 59.7 Ų | 59.7 | 39% | 0.39 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -58.3 | -26.9 | 176.6 | -66.3 | 4.4 | 0 | 0 | 0 | 111.5 | R364 Y366 R372 | R364-N368 VanDerWaalsContact O-CG 3.25Å; R364-N368 PolarHBondContact O-N 3.07Å; R364-N368 VanDerWaalsContact O-N 3.11Å; R364-N368 PolarHBondContact O-OD1 3.46Å; Y366-N368 PolarHBondContact O-N 3.14Å; N368-R372 VanDerWaalsContact O-CG 3.32Å; N368-R372 WeakPolarHBondContact O-CG 3.44Å; N368-R372 PolarHBondContact O-NE 2.91Å |
| 369 | S | 86 | Confident | 75.9 | Confident | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -84.3 | -40.6 | 174.2 | -61.9 | 0 | 0 | 0 | 0 | 112.9 | P341 I365 Y366 A367 E371 R372 Y373 | P341-S369 VanDerWaalsContact O-CB 3.31Å; P341-S369 WeakPolarHBondContact O-CB 3.32Å; P341-S369 PolarHBondContact O-OG 3.36Å; I365-S369 PolarHBondContact O-N 3.08Å; I365-S369 PolarHBondContact O-OG 3.09Å; I365-S369 VanDerWaalsContact O-OG 3.12Å; Y366-S369 CarbonylContact O-C 3.6Å; Y366-S369 WeakPolarHBondContact O-CB 3.42Å; Y366-S369 PolarHBondContact O-N 3.01Å; Y366-S369 VanDerWaalsContact O-N 3.08Å; A367-S369 PolarHBondContact O-N 3.12Å; A367-S369 VanDerWaalsContact O-N 3.08Å; S369-E371 VanDerWaalsContact C-N 3.33Å; S369-E371 PolarHBondContact O-N 2.91Å; S369-R372 WeakPolarHBondContact O-CB 3.36Å; S369-R372 PolarHBondContact O-N 2.74Å; S369-R372 VanDerWaalsContact O-N 3.15Å; S369-R372 PolarHBondContact OG-NH2 3.04Å; S369-Y373 WeakPolarHBondContact O-CD2 3.43Å; S369-Y373 PolarHBondContact O-N 3.26Å |
| 370 | A | 77.3 | Confident | 75.9 | Confident | 27 Ų | 27 | 62.1 Ų | 62.1 | 22% | 0.223 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -59.4 | -43.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y366 A367 R372 Y373 T374 | Y366-A370 HydrophobicContact CD1-CB 4.28Å; Y366-A370 HydrophobicContact CE1-CB 3.89Å; Y366-A370 PolarHBondContact O-N 3.35Å; A367-A370 PolarHBondContact O-N 3.38Å; A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 3.15Å; A370-Y373 PolarHBondContact O-N 2.73Å; A370-T374 WeakPolarHBondContact O-CG2 3.49Å; A370-T374 PolarHBondContact O-N 2.84Å; A370-T374 PolarHBondContact O-OG1 3.28Å |
| 371 | E | 75.1 | Confident | 75.2 | Confident | 125 Ų | 125 | 64.4 Ų | 64.4 | 58% | 0.584 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -57.7 | -44.1 | 173.7 | -71.9 | 172.8 | -170.3 | 0 | 0 | 111.6 | A367 S369 T374 A375 | A367-E371 WeakPolarHBondContact O-CG 3.45Å; A367-E371 PolarHBondContact O-N 3.01Å; S369-E371 VanDerWaalsContact C-N 3.33Å; S369-E371 PolarHBondContact O-N 2.91Å; E371-T374 WeakPolarHBondContact CA-OG1 3.49Å; E371-T374 PolarHBondContact O-N 3.01Å; E371-T374 PolarHBondContact O-OG1 2.91Å; E371-A375 WeakPolarHBondContact O-CB 3.44Å; E371-A375 PolarHBondContact O-N 3.04Å |
| 372 | R | 79.3 | Confident | 73.9 | Confident | 128 Ų | 128 | 69 Ų | 69 | 48% | 0.483 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -62 | -45 | 176.4 | -73.6 | -177.2 | -68.3 | 155.6 | 0.2 | 112.5 | N368 S369 A370 T374 A375 T376 | N368-R372 VanDerWaalsContact O-CG 3.32Å; N368-R372 WeakPolarHBondContact O-CG 3.44Å; N368-R372 PolarHBondContact O-NE 2.91Å; S369-R372 WeakPolarHBondContact O-CB 3.36Å; S369-R372 PolarHBondContact O-N 2.74Å; S369-R372 VanDerWaalsContact O-N 3.15Å; S369-R372 PolarHBondContact OG-NH2 3.04Å; A370-R372 VanDerWaalsContact C-N 3.32Å; A370-R372 PolarHBondContact O-N 3.15Å; R372-T374 VanDerWaalsContact C-N 3.35Å; R372-T374 PolarHBondContact O-N 3.48Å; R372-A375 PolarHBondContact O-N 3.1Å; R372-T376 PolarHBondContact O-N 2.98Å; R372-T376 PolarHBondContact O-OG1 3Å; R372-T376 VanDerWaalsContact O-OG1 3.1Å |
| 373 | Y | 77.8 | Confident | 71.5 | Confident | 52 Ų | 52 | 72 Ų | 72 | 20% | 0.204 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -64.9 | -38.3 | 178.5 | -61.9 | -47.4 | 0 | 0 | 0 | 112.4 | L335 E339 N340 P341 S369 A370 T377 | L335-Y373 HydrophobicContact CD1-CE2 4.47Å; L335-Y373 HydrophobicContact CD2-CD2 3.94Å; L335-Y373 HydrophobicContact CD2-CE2 4.45Å; E339-Y373 HydrophobicContact CB-CE1 4.16Å; E339-Y373 HydrophobicContact CB-CE2 4.25Å; E339-Y373 HydrophobicContact CG-CD1 4.07Å; E339-Y373 HydrophobicContact CG-CE1 3.85Å; N340-Y373 PolarHBondContact N-OH 3.42Å; N340-Y373 PolarHBondContact O-OH 2.86Å; N340-Y373 VanDerWaalsContact O-OH 3.08Å; P341-Y373 HydrophobicContact CB-CE2 4.27Å; S369-Y373 WeakPolarHBondContact O-CD2 3.43Å; S369-Y373 PolarHBondContact O-N 3.26Å; A370-Y373 PolarHBondContact O-N 2.73Å; Y373-T377 PolarHBondContact O-N 2.99Å; Y373-T377 PolarHBondContact O-OG1 3.32Å |
| 374 | T | 73.6 | Confident | 69.1 | Low | 92 Ų | 92 | 76.1 Ų | 76.1 | 56% | 0.564 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -64.4 | -42.8 | 174.7 | 54.9 | 0 | 0 | 0 | 0 | 112.2 | A370 E371 R372 T377 T378 | A370-T374 WeakPolarHBondContact O-CG2 3.49Å; A370-T374 PolarHBondContact O-N 2.84Å; A370-T374 PolarHBondContact O-OG1 3.28Å; E371-T374 WeakPolarHBondContact CA-OG1 3.49Å; E371-T374 PolarHBondContact O-N 3.01Å; E371-T374 PolarHBondContact O-OG1 2.91Å; R372-T374 VanDerWaalsContact C-N 3.35Å; R372-T374 PolarHBondContact O-N 3.48Å; T374-T377 PolarHBondContact O-N 3.36Å; T374-T378 PolarHBondContact O-N 3.38Å; T374-T378 PolarHBondContact O-OG1 3.32Å |
| 375 | A | 74 | Confident | 66.9 | Low | 47 Ų | 47 | 75.4 Ų | 75.4 | 39% | 0.388 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.4 | -39.9 | -179.9 | 0 | 0 | 0 | 0 | 0 | 113.1 | E371 R372 T377 T378 N379 | E371-A375 WeakPolarHBondContact O-CB 3.44Å; E371-A375 PolarHBondContact O-N 3.04Å; R372-A375 PolarHBondContact O-N 3.1Å; A375-T377 VanDerWaalsContact C-N 3.31Å; A375-T377 PolarHBondContact O-N 3.25Å; A375-T378 PolarHBondContact O-N 3.02Å; A375-T378 PolarHBondContact O-OG1 3.43Å; A375-N379 PolarHBondContact O-N 3.46Å |
| 376 | T | 71.7 | Confident | 64.2 | Low | 88 Ų | 88 | 82.5 Ų | 82.5 | 54% | 0.54 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -62.4 | -40.5 | 176.4 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | R372 T378 N379 T380 | R372-T376 PolarHBondContact O-N 2.98Å; R372-T376 PolarHBondContact O-OG1 3Å; R372-T376 VanDerWaalsContact O-OG1 3.1Å; T376-T378 VanDerWaalsContact C-N 3.32Å; T376-T378 PolarHBondContact O-N 3.25Å; T376-N379 PolarHBondContact O-N 2.82Å; T376-T380 WeakPolarHBondContact O-CG2 3.49Å; T376-T380 PolarHBondContact O-N 3.36Å; T376-T380 VanDerWaalsContact O-N 3.16Å; T376-T380 PolarHBondContact O-OG1 3.39Å |
| 377 | T | 65.5 | Low | 61.7 | Low | 65 Ų | 65 | 89.5 Ų | 89.5 | 40% | 0.399 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -65.9 | -34.2 | 179.4 | -54.3 | 0 | 0 | 0 | 0 | 112.2 | Y373 T374 A375 T380 N381 | Y373-T377 PolarHBondContact O-N 2.99Å; Y373-T377 PolarHBondContact O-OG1 3.32Å; T374-T377 PolarHBondContact O-N 3.36Å; A375-T377 VanDerWaalsContact C-N 3.31Å; A375-T377 PolarHBondContact O-N 3.25Å; T377-T380 PolarHBondContact O-OG1 3.21Å; T377-N381 PolarHBondContact O-N 3.32Å; T377-N381 PolarHBondContact O-ND2 3.44Å |
| 378 | T | 64.8 | Low | 59.2 | Low | 87 Ų | 87 | 96.6 Ų | 96.6 | 53% | 0.534 | 55% | 0.553 | S | S | . | * | H | α-helix | trans | -69.3 | -44 | 177.4 | -8.5 | 0 | 0 | 0 | 0 | 111.3 | T374 A375 T376 T380 N381 T382 | T374-T378 PolarHBondContact O-N 3.38Å; T374-T378 PolarHBondContact O-OG1 3.32Å; A375-T378 PolarHBondContact O-N 3.02Å; A375-T378 PolarHBondContact O-OG1 3.43Å; T376-T378 VanDerWaalsContact C-N 3.32Å; T376-T378 PolarHBondContact O-N 3.25Å; T378-T380 PolarHBondContact O-N 3.16Å; T378-N381 PolarHBondContact O-N 3.44Å; T378-T382 PolarHBondContact O-N 3.11Å; T378-T382 PolarHBondContact O-OG1 3.26Å |
| 379 | N | 58.5 | Low | 56.8 | Low | 118 Ų | 118 | 99.7 Ų | 99.7 | 63% | 0.631 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.5 | -32.3 | -179 | -72.9 | -12.6 | 0 | 0 | 0 | 113.3 | A375 T376 N381 T382 | A375-N379 PolarHBondContact O-N 3.46Å; T376-N379 PolarHBondContact O-N 2.82Å; N379-N381 VanDerWaalsContact C-N 3.35Å; N379-T382 PolarHBondContact O-OG1 3.44Å; N379-T382 VanDerWaalsContact O-OG1 3.11Å |
| 380 | T | 57.7 | Low | 54.3 | Low | 86 Ų | 86 | 108.2 Ų | 108.2 | 53% | 0.528 | 61% | 0.61 | S | S | . | * | H | α-helix | trans | -72.1 | -29.2 | 176.2 | 50.6 | 0 | 0 | 0 | 0 | 112.8 | T376 T377 T378 | T376-T380 WeakPolarHBondContact O-CG2 3.49Å; T376-T380 PolarHBondContact O-N 3.36Å; T376-T380 VanDerWaalsContact O-N 3.16Å; T376-T380 PolarHBondContact O-OG1 3.39Å; T377-T380 PolarHBondContact O-OG1 3.21Å; T378-T380 PolarHBondContact O-N 3.16Å |
| 381 | N | 48.7 | Very low | 52.1 | Low | 128 Ų | 128 | 111.3 Ų | 111.3 | 68% | 0.684 | 63% | 0.63 | S | S | * | * | H | α-helix | trans | -83.7 | -16.1 | -178.8 | -68.7 | -13.3 | 0 | 0 | 0 | 113.2 | T377 T378 N379 | T377-N381 PolarHBondContact O-N 3.32Å; T377-N381 PolarHBondContact O-ND2 3.44Å; T378-N381 PolarHBondContact O-N 3.44Å; N379-N381 VanDerWaalsContact C-N 3.35Å |
| 382 | T | 50.7 | Low | 50 | Low | 115 Ų | 115 | 112.1 Ų | 112.1 | 71% | 0.706 | 64% | 0.638 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -88.5 | -3.5 | 172.6 | 45.9 | 0 | 0 | 0 | 0 | 114 | T378 N379 | T378-T382 PolarHBondContact O-N 3.11Å; T378-T382 PolarHBondContact O-OG1 3.26Å; N379-T382 PolarHBondContact O-OG1 3.44Å; N379-T382 VanDerWaalsContact O-OG1 3.11Å |
| 383 | A | 36.8 | Very low | 47.9 | Very low | 75 Ų | 75 | 113.3 Ų | 113.3 | 62% | 0.62 | 65% | 0.654 | S | S | * | * | trans | -104.9 | 80.9 | 178.1 | 0 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 384 | S | 32.9 | Very low | 45.7 | Very low | 108 Ų | 108 | 116.1 Ų | 116.1 | 76% | 0.755 | 68% | 0.677 | S | S | * | * | S | Bend | trans | -152.8 | 150.3 | 166.1 | -83.8 | 0 | 0 | 0 | 0 | 109.5 | ||
| 385 | P | 33.7 | Very low | 43.9 | Very low | 121 Ų | 121 | 119 Ų | 119 | 79% | 0.786 | 69% | 0.689 | S | S | * | * | P | Polyproline II helix | -82.2 | 138.3 | -112.3 | 29.1 | -35.4 | 0 | 0 | 0 | 113.9 | N387 | P385-N387 PolarHBondContact O-N 3.3Š| |
| 386 | L | 30.7 | Very low | 41.8 | Very low | 180 Ų | 180 | 122.6 Ų | 122.6 | 94% | 0.942 | 71% | 0.706 | S | S | * | * | P | Polyproline II helix | trans | -60.4 | 118 | 164.6 | -82.9 | 163.7 | 0 | 0 | 0 | 109.1 | ||
| 387 | N | 35 | Very low | 39.8 | Very low | 158 Ų | 158 | 125 Ų | 125 | 85% | 0.845 | 72% | 0.715 | S | S | * | * | P | Polyproline II helix | trans | -58.4 | 134.8 | 170.4 | -98.4 | -36.6 | 0 | 0 | 0 | 110.8 | P385 | P385-N387 PolarHBondContact O-N 3.3Š|
| 388 | L | 29.7 | Very low | 38 | Very low | 156 Ų | 156 | 126.7 Ų | 126.7 | 82% | 0.817 | 73% | 0.726 | S | S | * | * | P | Polyproline II helix | trans | -51.6 | 126.8 | 165.8 | -68.2 | 139.5 | 0 | 0 | 0 | 111 | ||
| 389 | N | 32.9 | Very low | 36.2 | Very low | 138 Ų | 138 | 129 Ų | 129 | 74% | 0.738 | 74% | 0.735 | S | S | * | * | 179.8 | 135 | 126.6 | -98.1 | -5.7 | 0 | 0 | 0 | 112.5 | |||||
| 390 | E | 33.4 | Very low | 34.9 | Very low | 178 Ų | 178 | 130.8 Ų | 130.8 | 83% | 0.832 | 75% | 0.745 | S | S | * | * | trans | 66.1 | 142 | 151.9 | -64.1 | 173.8 | 144 | 0 | 0 | 118 | ||||
| 391 | S | 32.6 | Very low | 33.4 | Very low | 92 Ų | 92 | 134 Ų | 134 | 64% | 0.643 | 76% | 0.757 | S | S | * | * | cis | -173.3 | 144.8 | -17.8 | 49.9 | 0 | 0 | 0 | 0 | 104.9 | ||||
| 392 | N | 31 | Very low | 32.4 | Very low | 142 Ų | 142 | 134.6 Ų | 134.6 | 76% | 0.759 | 76% | 0.76 | S | S | * | * | trans | 51.2 | 104 | 153.9 | -56.5 | -16.5 | 0 | 0 | 0 | 119.6 | ||||
| 393 | N | 35.1 | Very low | 31.2 | Very low | 153 Ų | 153 | 135.3 Ų | 135.3 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | -178.1 | 133.6 | 99.2 | -93.4 | -23.9 | 0 | 0 | 0 | 112.5 | |||||
| 394 | T | 31.5 | Very low | 30.7 | Very low | 112 Ų | 112 | 138.7 Ų | 138.7 | 69% | 0.687 | 77% | 0.771 | S | S | * | * | trans | -20 | 125.6 | 159.1 | 50.6 | 0 | 0 | 0 | 0 | 116.4 | ||||
| 395 | D | 34.3 | Very low | 30.6 | Very low | 152 Ų | 152 | 139.2 Ų | 139.2 | 81% | 0.813 | 77% | 0.77 | S | S | * | * | -178.3 | 154.9 | 98.5 | -90.5 | -32 | 0 | 0 | 0 | 112.9 | |||||
| 396 | T | 30.7 | Very low | 30.3 | Very low | 122 Ų | 122 | 140.5 Ų | 140.5 | 75% | 0.748 | 77% | 0.77 | S | S | * | * | trans | -72.5 | 157.8 | -158.6 | 47.4 | 0 | 0 | 0 | 0 | 117.5 | ||||
| 397 | N | 29.3 | Very low | 30.4 | Very low | 138 Ų | 138 | 137.3 Ų | 137.3 | 74% | 0.738 | 76% | 0.758 | S | S | * | * | trans | 101.1 | 104.5 | 138.5 | -100.6 | -5.3 | 0 | 0 | 0 | 121.1 | ||||
| 398 | T | 28.1 | Very low | 30.2 | Very low | 101 Ų | 101 | 135.3 Ų | 135.3 | 62% | 0.62 | 75% | 0.753 | S | S | * | * | trans | 66.8 | 115.1 | 130 | 51.9 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 399 | N | 28 | Very low | 30.1 | Very low | 135 Ų | 135 | 133.7 Ų | 133.7 | 72% | 0.722 | 75% | 0.75 | S | S | * | * | trans | 57.3 | 108.5 | 133.1 | -55.9 | -18.5 | 0 | 0 | 0 | 116.4 | ||||
| 400 | N | 29.2 | Very low | 30.1 | Very low | 156 Ų | 156 | 134.1 Ų | 134.1 | 83% | 0.834 | 75% | 0.752 | S | S | * | * | -174 | 132.1 | 113.3 | -88.4 | -28.7 | 0 | 0 | 0 | 113.1 | |||||
| 401 | I | 26.5 | Very low | 30 | Very low | 153 Ų | 153 | 130.9 Ų | 130.9 | 79% | 0.785 | 75% | 0.745 | S | S | * | * | trans | -58.6 | 129.2 | 165.2 | -65.3 | 159.4 | 0 | 0 | 0 | 108.6 | ||||
| 402 | N | 27.7 | Very low | 29.8 | Very low | 141 Ų | 141 | 132 Ų | 132 | 75% | 0.754 | 75% | 0.747 | S | S | * | * | trans | -148.3 | 98.6 | 159.4 | -90.5 | -30 | 0 | 0 | 0 | 110.1 | ||||
| 403 | V | 27 | Very low | 29.8 | Very low | 131 Ų | 131 | 133.1 Ų | 133.1 | 79% | 0.794 | 75% | 0.75 | S | S | * | * | trans | -89.4 | 102.3 | 158.8 | 176.6 | 0 | 0 | 0 | 0 | 106.5 | V405 | V403-V405 HydrophobicContact CG1-CG2 4.47Š| ||
| 404 | L | 25.4 | Very low | 29.4 | Very low | 145 Ų | 145 | 131.6 Ų | 131.6 | 76% | 0.759 | 75% | 0.746 | S | S | * | * | trans | -108.6 | 103.7 | 166.9 | -87.8 | 162.2 | 0 | 0 | 0 | 107.7 | ||||
| 405 | V | 31.5 | Very low | 29.4 | Very low | 120 Ų | 120 | 138.9 Ų | 138.9 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | trans | -100.6 | 103 | 159.1 | 179.1 | 0 | 0 | 0 | 0 | 106.8 | V403 V407 | V403-V405 HydrophobicContact CG1-CG2 4.47Å; V405-V407 PolarHBondContact O-N 3.35Å | ||
| 406 | N | 26.8 | Very low | 29.2 | Very low | 147 Ų | 147 | 138.3 Ų | 138.3 | 79% | 0.786 | 77% | 0.774 | S | S | * | * | trans | -59.8 | 116 | 166.8 | -93.8 | -17.3 | 0 | 0 | 0 | 109.3 | ||||
| 407 | V | 31.6 | Very low | 29.1 | Very low | 114 Ų | 114 | 139.1 Ų | 139.1 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | -95 | 121.8 | 160.7 | 178.9 | 0 | 0 | 0 | 0 | 106.7 | V405 T409 | V405-V407 PolarHBondContact O-N 3.35Å; V407-T409 PolarHBondContact O-N 3.2Å; V407-T409 VanDerWaalsContact O-N 3.12Å | ||
| 408 | P | 31.5 | Very low | 29.1 | Very low | 115 Ų | 115 | 139.2 Ų | 139.2 | 75% | 0.747 | 78% | 0.777 | S | S | * | * | trans | -72.8 | 106.7 | 168.4 | 1 | 15 | 0 | 0 | 0 | 108 | N410 | P408-N410 PolarHBondContact O-N 3.47Š| ||
| 409 | T | 28 | Very low | 29.1 | Very low | 123 Ų | 123 | 141.4 Ų | 141.4 | 76% | 0.755 | 79% | 0.787 | S | S | * | * | trans | -64.7 | 116.8 | 155.9 | 43.1 | 0 | 0 | 0 | 0 | 108.5 | V407 | V407-T409 PolarHBondContact O-N 3.2Å; V407-T409 VanDerWaalsContact O-N 3.12Å | ||
| 410 | N | 33.2 | Very low | 29.2 | Very low | 147 Ų | 147 | 141.8 Ų | 141.8 | 79% | 0.786 | 79% | 0.791 | S | S | * | * | trans | -171.7 | 136.4 | 160.5 | -85.2 | -23.8 | 0 | 0 | 0 | 105 | P408 | P408-N410 PolarHBondContact O-N 3.47Š| ||
| 411 | T | 30.4 | Very low | 29.2 | Very low | 110 Ų | 110 | 140.9 Ų | 140.9 | 68% | 0.675 | 79% | 0.788 | S | S | * | * | cis | -168.8 | 130.9 | 0.2 | -78.3 | 0 | 0 | 0 | 0 | 104.7 | ||||
| 412 | V | 29 | Very low | 29.4 | Very low | 114 Ų | 114 | 140 Ų | 140 | 69% | 0.691 | 79% | 0.788 | S | S | * | * | trans | 27.7 | 116.6 | 141 | -172.6 | 0 | 0 | 0 | 0 | 117.6 | ||||
| 413 | M | 30.6 | Very low | 29.5 | Very low | 167 Ų | 167 | 139.9 Ų | 139.9 | 82% | 0.823 | 79% | 0.791 | S | S | * | * | -148.6 | 115 | 123.3 | -115 | -164.3 | -79 | 0 | 0 | 112.1 | |||||
| 414 | T | 27.7 | Very low | 29.8 | Very low | 120 Ų | 120 | 140.7 Ų | 140.7 | 74% | 0.736 | 79% | 0.79 | S | S | * | * | trans | -61.7 | 125.2 | 164.5 | 44.1 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 415 | M | 31.3 | Very low | 30.2 | Very low | 266 Ų | 266 | 140.3 Ų | 140.3 | 100% | 1.31 | 79% | 0.793 | S | S | * | * | 175.4 | 0 | 129.6 | -96.6 | -169.1 | -175.9 | 0 | 0 | 111.3 |
Retrieved 415 of 415 residues in 424.4 ms
(Link to these results)