| 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 | 75.1 | Confident | 88.7 | Confident | 148 Ų | 148 | 68.8 Ų | 68.8 | 73% | 0.729 | 39% | 0.389 | S | S | * | . | 0 | 139 | 0 | -79.1 | -60 | 154.2 | 0 | 0 | 108.2 | D38 F42 | M1-D38 HydrophobicContact CE-CB 3.36Å; M1-D38 WeakPolarHBondContact CE-O 3.49Å; M1-F42 HydrophobicContact SD-CB 3.63Å; M1-F42 HydrophobicContact SD-CD2 4.42Å; M1-F42 HydrophobicContact SD-CG 4.13Å | |||
| 2 | L | 81.3 | Confident | 89.2 | Confident | 29 Ų | 29 | 68.2 Ų | 68.2 | 15% | 0.152 | 40% | 0.399 | C | S | . | . | trans | -61.8 | 142.5 | 174.9 | -67.4 | 174.2 | 0 | 0 | 0 | 110 | E6 L10 Y29 L33 F42 | L2-E6 HydrophobicContact CB-CB 4.26Å; L2-E6 HydrophobicContact CD2-CB 3.87Å; L2-L10 HydrophobicContact CD1-CD2 3.9Å; L2-Y29 HydrophobicContact CD1-CE1 3.9Å; L2-Y29 HydrophobicContact CD2-CE1 4.17Å; L2-Y29 WeakPolarHBondContact CD2-OH 3.32Å; L2-Y29 HydrophobicContact CG-CE1 4.29Å; L2-L33 HydrophobicContact CD1-CD1 4.15Å; L2-F42 HydrophobicContact CB-CE1 4.3Å; L2-F42 HydrophobicContact CB-CE2 3.98Å; L2-F42 HydrophobicContact CB-CZ 3.68Å; L2-F42 HydrophobicContact CD1-CE1 3.88Å; L2-F42 HydrophobicContact CD1-CZ 3.93Å; L2-F42 HydrophobicContact CG-CZ 4.36Å | ||
| 3 | S | 88.3 | Confident | 89.6 | Confident | 55 Ų | 55 | 69.7 Ų | 69.7 | 39% | 0.385 | 40% | 0.398 | S | S | . | . | trans | -71.2 | 163.1 | 165.7 | 64.6 | 0 | 0 | 0 | 0 | 111.1 | A5 E6 A7 | S3-A5 PolarHBondContact O-N 2.88Å; S3-E6 WeakPolarHBondContact CB-OE2 3.27Å; S3-E6 PolarHBondContact N-OE2 2.77Å; S3-E6 PolarHBondContact O-N 3.14Å; S3-E6 VanDerWaalsContact OG-CD 3.3Å; S3-E6 VanDerWaalsContact OG-CG 3.29Å; S3-E6 WeakPolarHBondContact OG-CG 3.47Å; S3-E6 PolarHBondContact OG-N 3.5Å; S3-E6 PolarHBondContact OG-OE2 3.23Å; S3-A7 WeakPolarHBondContact O-CB 3.46Å; S3-A7 PolarHBondContact O-N 3.32Å | ||
| 4 | D | 86.3 | Confident | 90 | Very high | 119 Ų | 119 | 65 Ų | 65 | 64% | 0.636 | 37% | 0.371 | S | S | * | . | H | α-helix | trans | -60.8 | -31.9 | 177.3 | -72.5 | -28.9 | 0 | 0 | 0 | 113 | A8 K46 | D4-A8 PolarHBondContact O-N 2.72Å; D4-K46 IonicContact OD1-NZ 3.56Å; D4-K46 PolarHBondContact OD1-NZ 3.32Å |
| 5 | A | 90.2 | Very high | 90.1 | Very high | 63 Ų | 63 | 64 Ų | 64 | 52% | 0.521 | 37% | 0.367 | S | S | . | . | H | α-helix | trans | -67.8 | -47.7 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.4 | S3 A7 A8 E9 | S3-A5 PolarHBondContact O-N 2.88Å; A5-A7 VanDerWaalsContact C-N 3.27Å; A5-A7 PolarHBondContact O-N 2.75Å; A5-A8 PolarHBondContact O-N 3.02Å; A5-A8 VanDerWaalsContact O-N 3.16Å; A5-E9 PolarHBondContact O-N 3.5Å |
| 6 | E | 90.8 | Very high | 90 | Very high | 94 Ų | 94 | 65.6 Ų | 65.6 | 44% | 0.439 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -64.6 | -33.9 | 177 | -65.6 | 162.5 | 133.6 | 0 | 0 | 111.5 | L2 S3 E9 L10 | L2-E6 HydrophobicContact CB-CB 4.26Å; L2-E6 HydrophobicContact CD2-CB 3.87Å; S3-E6 WeakPolarHBondContact CB-OE2 3.27Å; S3-E6 PolarHBondContact N-OE2 2.77Å; S3-E6 PolarHBondContact O-N 3.14Å; S3-E6 VanDerWaalsContact OG-CD 3.3Å; S3-E6 VanDerWaalsContact OG-CG 3.29Å; S3-E6 WeakPolarHBondContact OG-CG 3.47Å; S3-E6 PolarHBondContact OG-N 3.5Å; S3-E6 PolarHBondContact OG-OE2 3.23Å; E6-E9 PolarHBondContact O-N 2.9Å; E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 PolarHBondContact O-N 3Å |
| 7 | A | 91.1 | Very high | 90 | Very high | 4 Ų | 4 | 68.4 Ų | 68.4 | 3% | 0.033 | 40% | 0.404 | C | S | . | . | H | α-helix | trans | -63.7 | -42.1 | 173.4 | 0 | 0 | 0 | 0 | 0 | 112.1 | S3 A5 L10 L11 F42 K46 | S3-A7 WeakPolarHBondContact O-CB 3.46Å; S3-A7 PolarHBondContact O-N 3.32Å; A5-A7 VanDerWaalsContact C-N 3.27Å; A5-A7 PolarHBondContact O-N 2.75Å; A7-L10 PolarHBondContact O-N 3.34Å; A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 2.91Å; A7-F42 HydrophobicContact CB-CZ 3.83Å; A7-K46 HydrophobicContact CB-CD 4.47Å |
| 8 | A | 91.7 | Very high | 90.2 | Very high | 58 Ų | 58 | 65.9 Ų | 65.9 | 48% | 0.479 | 39% | 0.39 | S | S | . | . | H | α-helix | trans | -67.7 | -37.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D4 A5 L11 A12 | D4-A8 PolarHBondContact O-N 2.72Å; A5-A8 PolarHBondContact O-N 3.02Å; A5-A8 VanDerWaalsContact O-N 3.16Å; A8-L11 PolarHBondContact O-N 3.44Å; A8-A12 PolarHBondContact O-N 2.68Å; A8-A12 VanDerWaalsContact O-N 3.11Å |
| 9 | E | 92.8 | Very high | 90.5 | Very high | 123 Ų | 123 | 71.1 Ų | 71.1 | 58% | 0.575 | 40% | 0.402 | S | S | * | . | H | α-helix | trans | -62.3 | -45.9 | 172 | -72.6 | -176.4 | -179.8 | 0 | 0 | 111.2 | A5 E6 L11 A12 F13 | A5-E9 PolarHBondContact O-N 3.5Å; E6-E9 PolarHBondContact O-N 2.9Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.25Å; E9-A12 WeakPolarHBondContact O-CB 3.49Å; E9-A12 PolarHBondContact O-N 3.1Å; E9-A12 VanDerWaalsContact O-N 3.16Å; E9-F13 VanDerWaalsContact O-CD2 3.29Å; E9-F13 WeakPolarHBondContact O-CD2 3.44Å; E9-F13 PolarHBondContact O-N 2.98Å |
| 10 | L | 93.6 | Very high | 90.6 | Very high | 16 Ų | 16 | 71.7 Ų | 71.7 | 8% | 0.084 | 41% | 0.409 | C | S | . | . | H | α-helix | trans | -60.7 | -42 | 177.4 | -171.6 | 62.4 | 0 | 0 | 0 | 111.6 | L2 E6 A7 A12 F13 L14 A26 Y29 I30 | L2-L10 HydrophobicContact CD1-CD2 3.9Å; E6-L10 WeakPolarHBondContact O-CB 3.36Å; E6-L10 PolarHBondContact O-N 3Å; A7-L10 PolarHBondContact O-N 3.34Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 3.28Å; L10-F13 WeakPolarHBondContact O-CB 3.49Å; L10-F13 PolarHBondContact O-N 3.28Å; L10-F13 VanDerWaalsContact O-N 3.08Å; L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 2.86Å; L10-A26 HydrophobicContact CD1-CB 3.75Å; L10-Y29 HydrophobicContact CD2-CD1 4.21Å; L10-Y29 HydrophobicContact CD2-CE1 4.48Å; L10-I30 HydrophobicContact CD1-CD1 4.29Å; L10-I30 HydrophobicContact CD1-CG1 4.5Å; L10-I30 HydrophobicContact CD2-CD1 3.74Å; L10-I30 HydrophobicContact CD2-CG1 3.64Å; L10-I30 HydrophobicContact CG-CD1 3.95Å; L10-I30 HydrophobicContact CG-CG1 4.32Å |
| 11 | L | 94.9 | Very high | 90.9 | Very high | 48 Ų | 48 | 72.2 Ų | 72.2 | 25% | 0.251 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -58.6 | -42.4 | 174.9 | -179.3 | 65.2 | 0 | 0 | 0 | 112 | A7 A8 E9 F13 L14 D48 L49 A52 | A7-L11 WeakPolarHBondContact O-CB 3.44Å; A7-L11 PolarHBondContact O-N 2.91Å; A8-L11 PolarHBondContact O-N 3.44Å; E9-L11 VanDerWaalsContact C-N 3.31Å; E9-L11 PolarHBondContact O-N 3.25Å; L11-F13 PolarHBondContact O-N 3.33Å; L11-L14 PolarHBondContact O-N 3.28Å; L11-D48 HydrophobicContact CD1-CB 4.44Å; L11-D48 HydrophobicContact CD2-CB 4.16Å; L11-D48 WeakPolarHBondContact CD2-OD2 3.48Å; L11-L49 HydrophobicContact CB-CD2 3.65Å; L11-L49 HydrophobicContact CD1-CD2 3.92Å; L11-L49 HydrophobicContact CG-CD2 4.39Å; L11-A52 HydrophobicContact CD1-CB 3.68Å |
| 12 | A | 94.3 | Very high | 91.8 | Very high | 61 Ų | 61 | 67.3 Ų | 67.3 | 50% | 0.504 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62 | -24.1 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.7 | A8 E9 L10 T18 | A8-A12 PolarHBondContact O-N 2.68Å; A8-A12 VanDerWaalsContact O-N 3.11Å; E9-A12 WeakPolarHBondContact O-CB 3.49Å; E9-A12 PolarHBondContact O-N 3.1Å; E9-A12 VanDerWaalsContact O-N 3.16Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 3.28Å; A12-T18 PolarHBondContact O-OG1 3.41Å |
| 13 | F | 95.3 | Very high | 92.5 | Very high | 88 Ų | 88 | 66.2 Ų | 66.2 | 39% | 0.386 | 38% | 0.383 | S | S | . | . | H | α-helix | trans | -80.6 | -17.7 | 174.4 | -57.5 | -39.5 | 0 | 0 | 0 | 113.8 | E9 L10 L11 T15 T18 V22 K23 A26 | E9-F13 VanDerWaalsContact O-CD2 3.29Å; E9-F13 WeakPolarHBondContact O-CD2 3.44Å; E9-F13 PolarHBondContact O-N 2.98Å; L10-F13 WeakPolarHBondContact O-CB 3.49Å; L10-F13 PolarHBondContact O-N 3.28Å; L10-F13 VanDerWaalsContact O-N 3.08Å; L11-F13 PolarHBondContact O-N 3.33Å; F13-T15 VanDerWaalsContact C-N 3.35Å; F13-T15 PolarHBondContact O-N 2.97Å; F13-T18 WeakPolarHBondContact O-CB 3.36Å; F13-T18 WeakPolarHBondContact O-CG2 3.21Å; F13-T18 PolarHBondContact O-OG1 3.11Å; F13-V22 HydrophobicContact CB-CG1 4.01Å; F13-V22 HydrophobicContact CD1-CG1 3.56Å; F13-V22 HydrophobicContact CE1-CG1 4.19Å; F13-V22 HydrophobicContact CG-CG1 3.78Å; F13-K23 WeakPolarHBondContact O-CG 3.46Å; F13-A26 HydrophobicContact CB-CB 3.94Å |
| 14 | L | 94.4 | Very high | 92.8 | Very high | 4 Ų | 4 | 64.6 Ų | 64.6 | 2% | 0.021 | 38% | 0.375 | C | S | . | . | trans | -93.8 | 42.4 | -174.9 | -60.6 | 170.2 | 0 | 0 | 0 | 113.5 | L10 L11 A26 T27 I30 L49 A52 L53 L56 | L10-L14 WeakPolarHBondContact O-CG 3.41Å; L10-L14 PolarHBondContact O-N 2.86Å; L11-L14 PolarHBondContact O-N 3.28Å; L14-A26 HydrophobicContact CD2-CB 3.93Å; L14-T27 HydrophobicContact CD2-CG2 3.99Å; L14-I30 HydrophobicContact CD1-CD1 3.61Å; L14-I30 HydrophobicContact CD2-CD1 4.07Å; L14-I30 HydrophobicContact CG-CD1 4.34Å; L14-L49 HydrophobicContact CD1-CD2 3.7Å; L14-A52 HydrophobicContact CB-CB 3.78Å; L14-A52 HydrophobicContact CD1-CB 4.31Å; L14-L53 HydrophobicContact CD1-CD2 4.19Å; L14-L53 HydrophobicContact CD1-CG 4.13Å; L14-L53 HydrophobicContact CD2-CD2 4.03Å; L14-L56 HydrophobicContact CB-CD1 4.06Å; L14-L56 HydrophobicContact CD2-CD1 3.84Å | ||
| 15 | T | 92 | Very high | 93.3 | Very high | 50 Ų | 50 | 66.2 Ų | 66.2 | 31% | 0.307 | 38% | 0.376 | S | S | . | . | S | Bend | trans | -110.6 | 146 | 177 | 78.3 | 0 | 0 | 0 | 0 | 111 | F13 S17 T18 K23 | F13-T15 VanDerWaalsContact C-N 3.35Å; F13-T15 PolarHBondContact O-N 2.97Å; T15-S17 PolarHBondContact O-N 3.48Å; T15-S17 PolarHBondContact OG1-OG 2.85Å; T15-S17 VanDerWaalsContact OG1-OG 3.04Å; T15-T18 WeakPolarHBondContact O-CB 3.38Å; T15-T18 PolarHBondContact O-N 3.3Å; T15-T18 PolarHBondContact O-OG1 2.68Å; T15-T18 PolarHBondContact OG1-N 3.27Å; T15-T18 PolarHBondContact OG1-OG1 3.18Å; T15-K23 WeakPolarHBondContact O-CD 3.38Å |
| 16 | P | 88.1 | Confident | 93.6 | Very high | 90 Ų | 90 | 63.4 Ų | 63.4 | 58% | 0.584 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.6 | -34 | 179.3 | -28.3 | 35.5 | 0 | 0 | 0 | 113.9 | K23 | P16-K23 PolarHBondContact O-NZ 2.94Š|
| 17 | S | 89.8 | Confident | 93.9 | Very high | 112 Ų | 112 | 59 Ų | 59 | 78% | 0.783 | 33% | 0.332 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -74.1 | -16.9 | 178.1 | 44.4 | 0 | 0 | 0 | 0 | 115.1 | T15 | T15-S17 PolarHBondContact O-N 3.48Å; T15-S17 PolarHBondContact OG1-OG 2.85Å; T15-S17 VanDerWaalsContact OG1-OG 3.04Å |
| 18 | T | 94.3 | Very high | 94.2 | Very high | 25 Ų | 25 | 65 Ų | 65 | 15% | 0.153 | 36% | 0.359 | C | S | . | . | S | Bend | trans | -64.6 | 145.7 | 179.5 | -61.1 | 0 | 0 | 0 | 0 | 110.3 | A12 F13 T15 V22 K23 | A12-T18 PolarHBondContact O-OG1 3.41Å; F13-T18 WeakPolarHBondContact O-CB 3.36Å; F13-T18 WeakPolarHBondContact O-CG2 3.21Å; F13-T18 PolarHBondContact O-OG1 3.11Å; T15-T18 WeakPolarHBondContact O-CB 3.38Å; T15-T18 PolarHBondContact O-N 3.3Å; T15-T18 PolarHBondContact O-OG1 2.68Å; T15-T18 PolarHBondContact OG1-N 3.27Å; T15-T18 PolarHBondContact OG1-OG1 3.18Å; T18-V22 HydrophobicContact CG2-CB 3.88Å; T18-V22 HydrophobicContact CG2-CG1 3.86Å; T18-K23 HydrophobicContact CG2-CG 3.86Å; T18-K23 WeakPolarHBondContact O-CE 3.31Å; T18-K23 PolarHBondContact O-NZ 3.46Å |
| 19 | R | 94.8 | Very high | 94.4 | Very high | 163 Ų | 163 | 67.5 Ų | 67.5 | 62% | 0.615 | 36% | 0.357 | S | S | * | . | trans | -56 | 137.9 | 179.1 | -66.7 | 171.6 | 45.7 | 163.1 | -3.4 | 111.1 | D21 V22 K23 | R19-D21 VanDerWaalsContact C-N 3.28Å; R19-D21 WeakPolarHBondContact CB-OD1 3.49Å; R19-D21 IonicContact CZ-OD1 3.56Å; R19-D21 IonicContact CZ-OD2 2.69Å; R19-D21 IonicContact NE-OD1 3.7Å; R19-D21 PolarHBondContact NE-OD1 3.23Å; R19-D21 IonicContact NE-OD2 2.69Å; R19-D21 IonicContact NH2-OD1 3.06Å; R19-D21 PolarHBondContact NH2-OD1 3.37Å; R19-D21 IonicContact NH2-OD2 2.75Å; R19-D21 PolarHBondContact NH2-OD2 2.91Å; R19-D21 PolarHBondContact O-N 3.32Å; R19-V22 HydrophobicContact CB-CG2 4.26Å; R19-V22 PolarHBondContact O-N 3.29Å; R19-K23 PolarHBondContact O-N 3.09Å | ||
| 20 | P | 94.3 | Very high | 94.6 | Very high | 84 Ų | 84 | 61.6 Ų | 61.6 | 55% | 0.545 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -56.9 | -35.8 | -175.9 | -28 | 35.3 | 0 | 0 | 0 | 114.9 | V22 K23 G24 | P20-V22 VanDerWaalsContact C-N 3.32Å; P20-V22 PolarHBondContact O-N 2.91Å; P20-K23 PolarHBondContact O-N 2.93Å; P20-G24 PolarHBondContact O-N 3Å |
| 21 | D | 94.9 | Very high | 94.8 | Very high | 82 Ų | 82 | 63 Ų | 63 | 44% | 0.439 | 34% | 0.337 | S | S | . | . | H | α-helix | trans | -66.9 | -33.5 | 178.5 | 59.6 | -42 | 0 | 0 | 0 | 112.9 | R19 K25 | R19-D21 VanDerWaalsContact C-N 3.28Å; R19-D21 WeakPolarHBondContact CB-OD1 3.49Å; R19-D21 IonicContact CZ-OD1 3.56Å; R19-D21 IonicContact CZ-OD2 2.69Å; R19-D21 IonicContact NE-OD1 3.7Å; R19-D21 PolarHBondContact NE-OD1 3.23Å; R19-D21 IonicContact NE-OD2 2.69Å; R19-D21 IonicContact NH2-OD1 3.06Å; R19-D21 PolarHBondContact NH2-OD1 3.37Å; R19-D21 IonicContact NH2-OD2 2.75Å; R19-D21 PolarHBondContact NH2-OD2 2.91Å; R19-D21 PolarHBondContact O-N 3.32Å; D21-K25 WeakPolarHBondContact O-CG 3.41Å; D21-K25 PolarHBondContact O-N 2.96Å |
| 22 | V | 95.4 | Very high | 94.9 | Very high | 46 Ų | 46 | 63.4 Ų | 63.4 | 28% | 0.279 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -77 | -45.7 | 176.4 | 180 | 0 | 0 | 0 | 0 | 110.3 | F13 T18 R19 P20 G24 K25 A26 | F13-V22 HydrophobicContact CB-CG1 4.01Å; F13-V22 HydrophobicContact CD1-CG1 3.56Å; F13-V22 HydrophobicContact CE1-CG1 4.19Å; F13-V22 HydrophobicContact CG-CG1 3.78Å; T18-V22 HydrophobicContact CG2-CB 3.88Å; T18-V22 HydrophobicContact CG2-CG1 3.86Å; R19-V22 HydrophobicContact CB-CG2 4.26Å; R19-V22 PolarHBondContact O-N 3.29Å; P20-V22 VanDerWaalsContact C-N 3.32Å; P20-V22 PolarHBondContact O-N 2.91Å; V22-G24 VanDerWaalsContact C-N 3.35Å; V22-G24 PolarHBondContact O-N 3.17Å; V22-K25 PolarHBondContact O-N 3.35Å; V22-A26 PolarHBondContact O-N 3.07Å |
| 23 | K | 94.8 | Very high | 95 | Very high | 6 Ų | 6 | 61.8 Ų | 61.8 | 3% | 0.026 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -57 | -47.8 | 174.6 | -73.1 | -170.5 | -66.4 | -162.3 | 0 | 112 | F13 T15 P16 T18 R19 P20 K25 A26 T27 L56 D59 I64 | F13-K23 WeakPolarHBondContact O-CG 3.46Å; T15-K23 WeakPolarHBondContact O-CD 3.38Å; P16-K23 PolarHBondContact O-NZ 2.94Å; T18-K23 HydrophobicContact CG2-CG 3.86Å; T18-K23 WeakPolarHBondContact O-CE 3.31Å; T18-K23 PolarHBondContact O-NZ 3.46Å; R19-K23 PolarHBondContact O-N 3.09Å; P20-K23 PolarHBondContact O-N 2.93Å; K23-K25 VanDerWaalsContact C-N 3.33Å; K23-K25 PolarHBondContact O-N 3.41Å; K23-A26 WeakPolarHBondContact O-CB 3.14Å; K23-A26 PolarHBondContact O-N 2.98Å; K23-A26 VanDerWaalsContact O-N 3.09Å; K23-T27 PolarHBondContact O-N 3.31Å; K23-T27 PolarHBondContact O-OG1 2.99Å; K23-L56 HydrophobicContact CD-CD2 3.99Å; K23-D59 IonicContact NZ-OD1 3.45Å; K23-D59 IonicContact NZ-OD2 3.68Å; K23-D59 PolarHBondContact NZ-OD2 2.94Å; K23-I64 HydrophobicContact CB-CD1 3.59Å; K23-I64 HydrophobicContact CD-CD1 4.24Å |
| 24 | G | 95.3 | Very high | 95.1 | Very high | 20 Ų | 20 | 57.7 Ų | 57.7 | 21% | 0.206 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -57.8 | -44.2 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | P20 V22 A26 T27 E28 | P20-G24 PolarHBondContact O-N 3Å; V22-G24 VanDerWaalsContact C-N 3.35Å; V22-G24 PolarHBondContact O-N 3.17Å; G24-A26 PolarHBondContact O-N 3.25Å; G24-T27 PolarHBondContact O-N 2.88Å; G24-T27 PolarHBondContact O-OG1 3.34Å; G24-E28 VanDerWaalsContact O-CB 3.25Å; G24-E28 WeakPolarHBondContact O-CB 3.3Å; G24-E28 PolarHBondContact O-N 3.17Å |
| 25 | K | 96.6 | Very high | 95.1 | Very high | 154 Ų | 154 | 60.4 Ų | 60.4 | 67% | 0.67 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.5 | -38.5 | 175.1 | -72.5 | -179.6 | 177.3 | -176.4 | 0 | 112.8 | D21 V22 K23 Y29 | D21-K25 WeakPolarHBondContact O-CG 3.41Å; D21-K25 PolarHBondContact O-N 2.96Å; V22-K25 PolarHBondContact O-N 3.35Å; K23-K25 VanDerWaalsContact C-N 3.33Å; K23-K25 PolarHBondContact O-N 3.41Å; K25-Y29 WeakPolarHBondContact O-CB 3.41Å; K25-Y29 PolarHBondContact O-N 2.79Å |
| 26 | A | 96.6 | Very high | 95.3 | Very high | 4 Ų | 4 | 60.5 Ų | 60.5 | 3% | 0.033 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -65.5 | -45.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | L10 F13 L14 V22 K23 G24 Y29 I30 | L10-A26 HydrophobicContact CD1-CB 3.75Å; F13-A26 HydrophobicContact CB-CB 3.94Å; L14-A26 HydrophobicContact CD2-CB 3.93Å; V22-A26 PolarHBondContact O-N 3.07Å; K23-A26 WeakPolarHBondContact O-CB 3.14Å; K23-A26 PolarHBondContact O-N 2.98Å; K23-A26 VanDerWaalsContact O-N 3.09Å; G24-A26 PolarHBondContact O-N 3.25Å; A26-Y29 PolarHBondContact O-N 2.82Å; A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.47Å; A26-I30 PolarHBondContact O-N 2.91Å; A26-I30 VanDerWaalsContact O-N 3.09Å |
| 27 | T | 96.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -67.5 | -40.8 | 177 | 53.8 | 0 | 0 | 0 | 0 | 112 | L14 K23 G24 Y29 I30 L31 L53 L56 I64 D67 | L14-T27 HydrophobicContact CD2-CG2 3.99Å; K23-T27 PolarHBondContact O-N 3.31Å; K23-T27 PolarHBondContact O-OG1 2.99Å; G24-T27 PolarHBondContact O-N 2.88Å; G24-T27 PolarHBondContact O-OG1 3.34Å; T27-Y29 VanDerWaalsContact C-N 3.34Å; T27-Y29 PolarHBondContact O-N 2.98Å; T27-I30 PolarHBondContact O-N 3.14Å; T27-L31 WeakPolarHBondContact O-CB 3.5Å; T27-L31 PolarHBondContact O-N 2.94Å; T27-L53 HydrophobicContact CG2-CD2 4.29Å; T27-L56 HydrophobicContact CG2-CD1 4.21Å; T27-I64 HydrophobicContact CG2-CG2 4.12Å; T27-D67 PolarHBondContact OG1-OD2 2.95Å |
| 28 | E | 96.9 | Very high | 95.8 | Very high | 130 Ų | 130 | 63.9 Ų | 63.9 | 61% | 0.607 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -59.4 | -44.7 | 175.2 | -178 | 179.9 | -164.2 | 0 | 0 | 111.6 | G24 I30 L31 G32 | G24-E28 VanDerWaalsContact O-CB 3.25Å; G24-E28 WeakPolarHBondContact O-CB 3.3Å; G24-E28 PolarHBondContact O-N 3.17Å; E28-I30 PolarHBondContact O-N 3.21Å; E28-L31 WeakPolarHBondContact O-CB 3.36Å; E28-L31 PolarHBondContact O-N 2.92Å; E28-G32 PolarHBondContact O-N 3.41Å; E28-G32 VanDerWaalsContact O-N 3.08Å |
| 29 | Y | 96.7 | Very high | 95.8 | Very high | 111 Ų | 111 | 62.7 Ų | 62.7 | 44% | 0.435 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -62 | -44.8 | 176.8 | -179.4 | -96.7 | 0 | 0 | 0 | 112 | L2 L10 K25 A26 T27 L31 G32 L33 | L2-Y29 HydrophobicContact CD1-CE1 3.9Å; L2-Y29 HydrophobicContact CD2-CE1 4.17Å; L2-Y29 WeakPolarHBondContact CD2-OH 3.32Å; L2-Y29 HydrophobicContact CG-CE1 4.29Å; L10-Y29 HydrophobicContact CD2-CD1 4.21Å; L10-Y29 HydrophobicContact CD2-CE1 4.48Å; K25-Y29 WeakPolarHBondContact O-CB 3.41Å; K25-Y29 PolarHBondContact O-N 2.79Å; A26-Y29 PolarHBondContact O-N 2.82Å; T27-Y29 VanDerWaalsContact C-N 3.34Å; T27-Y29 PolarHBondContact O-N 2.98Å; Y29-L31 VanDerWaalsContact C-N 3.33Å; Y29-L31 PolarHBondContact O-N 3.14Å; Y29-G32 PolarHBondContact O-N 3.43Å; Y29-L33 HydrophobicContact CD1-CD1 4Å; Y29-L33 HydrophobicContact CD1-CG 4.31Å; Y29-L33 HydrophobicContact CE1-CD1 3.48Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.48Å; Y29-L33 HydrophobicContact CE1-CD2 4.32Å; Y29-L33 HydrophobicContact CE1-CG 3.88Å; Y29-L33 PolarHBondContact O-N 3.44Å |
| 30 | I | 97 | Very high | 95.9 | Very high | 0 Ų | 0 | 55.2 Ų | 55.2 | 0% | 0 | 31% | 0.306 | C | S | . | . | H | α-helix | trans | -68 | -34.4 | 178.5 | -65.8 | 166.5 | 0 | 0 | 0 | 111.6 | L10 L14 A26 T27 E28 G32 L33 S34 L43 L53 I71 | L10-I30 HydrophobicContact CD1-CD1 4.29Å; L10-I30 HydrophobicContact CD1-CG1 4.5Å; L10-I30 HydrophobicContact CD2-CD1 3.74Å; L10-I30 HydrophobicContact CD2-CG1 3.64Å; L10-I30 HydrophobicContact CG-CD1 3.95Å; L10-I30 HydrophobicContact CG-CG1 4.32Å; L14-I30 HydrophobicContact CD1-CD1 3.61Å; L14-I30 HydrophobicContact CD2-CD1 4.07Å; L14-I30 HydrophobicContact CG-CD1 4.34Å; A26-I30 VanDerWaalsContact O-CG1 3.31Å; A26-I30 WeakPolarHBondContact O-CG1 3.47Å; A26-I30 PolarHBondContact O-N 2.91Å; A26-I30 VanDerWaalsContact O-N 3.09Å; T27-I30 PolarHBondContact O-N 3.14Å; E28-I30 PolarHBondContact O-N 3.21Å; I30-G32 VanDerWaalsContact C-N 3.28Å; I30-G32 PolarHBondContact O-N 3.1Å; I30-L33 WeakPolarHBondContact O-CB 3.5Å; I30-L33 PolarHBondContact O-N 3.25Å; I30-L33 VanDerWaalsContact O-N 3.1Å; I30-S34 PolarHBondContact O-N 3.32Å; I30-S34 PolarHBondContact O-OG 3.45Å; I30-L43 HydrophobicContact CG2-CD1 4.14Å; I30-L43 HydrophobicContact CG2-CD2 4.19Å; I30-L53 HydrophobicContact CD1-CD1 4.26Å; I30-L53 HydrophobicContact CD1-CD2 3.89Å; I30-L53 HydrophobicContact CD1-CG 4.39Å; I30-L53 HydrophobicContact CG2-CD1 3.76Å; I30-L53 HydrophobicContact CG2-CD2 4.3Å; I30-I71 HydrophobicContact CB-CD1 4.05Å; I30-I71 HydrophobicContact CG2-CD1 3.81Å; I30-I71 HydrophobicContact CG2-CG1 4.27Å; I30-I71 HydrophobicContact CG2-CG2 4.17Å |
| 31 | L | 97.6 | Very high | 95.9 | Very high | 45 Ų | 45 | 57.5 Ų | 57.5 | 24% | 0.236 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -59.6 | -41.2 | 172.2 | 179.9 | 61.5 | 0 | 0 | 0 | 111.2 | T27 E28 Y29 S34 G35 H70 I71 | T27-L31 WeakPolarHBondContact O-CB 3.5Å; T27-L31 PolarHBondContact O-N 2.94Å; E28-L31 WeakPolarHBondContact O-CB 3.36Å; E28-L31 PolarHBondContact O-N 2.92Å; Y29-L31 VanDerWaalsContact C-N 3.33Å; Y29-L31 PolarHBondContact O-N 3.14Å; L31-S34 PolarHBondContact O-N 3.21Å; L31-S34 PolarHBondContact O-OG 2.81Å; L31-S34 VanDerWaalsContact O-OG 3.12Å; L31-G35 PolarHBondContact O-N 3.39Å; L31-H70 HydrophobicContact CD1-CB 3.66Å; L31-I71 HydrophobicContact CB-CD1 4.22Å; L31-I71 HydrophobicContact CB-CG1 3.86Å; L31-I71 HydrophobicContact CD1-CG1 3.89Å; L31-I71 HydrophobicContact CG-CG1 4.49Å |
| 32 | G | 97 | Very high | 95.9 | Very high | 56 Ų | 56 | 54.4 Ų | 54.4 | 58% | 0.577 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.4 | -40.8 | 171 | 0 | 0 | 0 | 0 | 0 | 113.1 | E28 Y29 I30 | E28-G32 PolarHBondContact O-N 3.41Å; E28-G32 VanDerWaalsContact O-N 3.08Å; Y29-G32 PolarHBondContact O-N 3.43Å; I30-G32 VanDerWaalsContact C-N 3.28Å; I30-G32 PolarHBondContact O-N 3.1Å |
| 33 | L | 95.6 | Very high | 95.9 | Very high | 27 Ų | 27 | 52.2 Ų | 52.2 | 14% | 0.141 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -65.4 | -47.3 | 176.8 | -70 | 179.9 | 0 | 0 | 0 | 112.4 | L2 Y29 I30 G35 S36 G39 L43 | L2-L33 HydrophobicContact CD1-CD1 4.15Å; Y29-L33 HydrophobicContact CD1-CD1 4Å; Y29-L33 HydrophobicContact CD1-CG 4.31Å; Y29-L33 HydrophobicContact CE1-CD1 3.48Å; Y29-L33 VanDerWaalsContact CE1-CD1 3.48Å; Y29-L33 HydrophobicContact CE1-CD2 4.32Å; Y29-L33 HydrophobicContact CE1-CG 3.88Å; Y29-L33 PolarHBondContact O-N 3.44Å; I30-L33 WeakPolarHBondContact O-CB 3.5Å; I30-L33 PolarHBondContact O-N 3.25Å; I30-L33 VanDerWaalsContact O-N 3.1Å; L33-G35 PolarHBondContact O-N 3.04Å; L33-S36 PolarHBondContact O-N 3.27Å; L33-S36 VanDerWaalsContact O-N 3.08Å; L33-S36 PolarHBondContact O-OG 2.88Å; L33-G39 WeakPolarHBondContact O-CA 3.49Å; L33-L43 HydrophobicContact CB-CD1 4.5Å |
| 34 | S | 97.2 | Very high | 96 | Very high | 3 Ų | 3 | 57.8 Ų | 57.8 | 2% | 0.021 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -65.5 | -18.8 | -176.9 | 71.2 | 0 | 0 | 0 | 0 | 112.9 | I30 L31 S36 C40 N74 | I30-S34 PolarHBondContact O-N 3.32Å; I30-S34 PolarHBondContact O-OG 3.45Å; L31-S34 PolarHBondContact O-N 3.21Å; L31-S34 PolarHBondContact O-OG 2.81Å; L31-S34 VanDerWaalsContact O-OG 3.12Å; S34-S36 PolarHBondContact O-N 3.01Å; S34-C40 PolarHBondContact O-SG 3.3Å; S34-N74 WeakPolarHBondContact O-CB 3.29Å; S34-N74 PolarHBondContact OG-ND2 3.14Å |
| 35 | G | 95.8 | Very high | 95.9 | Very high | 61 Ų | 61 | 60.4 Ų | 60.4 | 63% | 0.629 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -3.1 | 173 | 0 | 0 | 0 | 0 | 0 | 115 | L31 L33 | L31-G35 PolarHBondContact O-N 3.39Å; L33-G35 PolarHBondContact O-N 3.04Å |
| 36 | S | 95.6 | Very high | 95.8 | Very high | 51 Ų | 51 | 54.7 Ų | 54.7 | 36% | 0.357 | 28% | 0.284 | S | S | . | . | S | Bend | trans | -124.8 | 144.8 | -178.3 | 72.1 | 0 | 0 | 0 | 0 | 112.3 | L33 S34 D38 G39 C40 | L33-S36 PolarHBondContact O-N 3.27Å; L33-S36 VanDerWaalsContact O-N 3.08Å; L33-S36 PolarHBondContact O-OG 2.88Å; S34-S36 PolarHBondContact O-N 3.01Å; S36-D38 PolarHBondContact O-N 3.45Å; S36-G39 PolarHBondContact O-N 2.9Å; S36-G39 VanDerWaalsContact O-N 3.11Å; S36-G39 PolarHBondContact OG-N 3.4Å; S36-C40 PolarHBondContact O-N 3.25Å; S36-C40 PolarHBondContact O-SG 3.25Å |
| 37 | R | 93.9 | Very high | 95.8 | Very high | 181 Ų | 181 | 56.3 Ų | 56.3 | 68% | 0.683 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -56 | -39.8 | 177.4 | -171.7 | 178.5 | -170.5 | -175.8 | 3.9 | 112.5 | C40 R41 | R37-C40 PolarHBondContact O-N 3.15Å; R37-R41 WeakPolarHBondContact O-CG 3.06Å; R37-R41 PolarHBondContact O-N 3.46Å |
| 38 | D | 94.4 | Very high | 95.8 | Very high | 92 Ų | 92 | 60 Ų | 60 | 49% | 0.492 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -68.9 | -41 | 179.8 | -93 | 0.3 | 0 | 0 | 0 | 111 | M1 S36 R41 F42 | M1-D38 HydrophobicContact CE-CB 3.36Å; M1-D38 WeakPolarHBondContact CE-O 3.49Å; S36-D38 PolarHBondContact O-N 3.45Å; D38-R41 PolarHBondContact O-N 3.28Å; D38-R41 IonicContact OD1-NH1 3.23Å; D38-R41 PolarHBondContact OD1-NH1 3.23Å; D38-F42 PolarHBondContact O-N 2.92Å; D38-F42 VanDerWaalsContact O-N 3.12Å |
| 39 | G | 95.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67.8 | -38.4 | 173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | L33 S36 R41 F42 L43 | L33-G39 WeakPolarHBondContact O-CA 3.49Å; S36-G39 PolarHBondContact O-N 2.9Å; S36-G39 VanDerWaalsContact O-N 3.11Å; S36-G39 PolarHBondContact OG-N 3.4Å; G39-R41 PolarHBondContact O-N 3.25Å; G39-F42 WeakPolarHBondContact O-CB 3.36Å; G39-F42 PolarHBondContact O-N 2.89Å; G39-L43 WeakPolarHBondContact O-CB 3.49Å; G39-L43 WeakPolarHBondContact O-CG 3.12Å; G39-L43 PolarHBondContact O-N 3.17Å |
| 40 | C | 95.6 | Very high | 95.8 | Very high | 7 Ų | 7 | 48.6 Ų | 48.6 | 5% | 0.047 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -59 | -44.4 | 172 | -73.5 | 0 | 0 | 0 | 0 | 112 | S34 S36 R37 F42 L43 R44 L81 | S34-C40 PolarHBondContact O-SG 3.3Å; S36-C40 PolarHBondContact O-N 3.25Å; S36-C40 PolarHBondContact O-SG 3.25Å; R37-C40 PolarHBondContact O-N 3.15Å; C40-F42 VanDerWaalsContact C-N 3.32Å; C40-F42 PolarHBondContact O-N 3.16Å; C40-L43 PolarHBondContact O-N 2.9Å; C40-R44 WeakPolarHBondContact O-CB 3.22Å; C40-R44 PolarHBondContact O-N 3.45Å; C40-L81 HydrophobicContact CB-CD1 3.79Å |
| 41 | R | 95 | Very high | 95.8 | Very high | 131 Ų | 131 | 50.8 Ų | 50.8 | 49% | 0.494 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -59.2 | -42.2 | 174.6 | -75.9 | 171.4 | 174.2 | 173.8 | -6 | 112.4 | R37 D38 G39 | R37-R41 WeakPolarHBondContact O-CG 3.06Å; R37-R41 PolarHBondContact O-N 3.46Å; D38-R41 PolarHBondContact O-N 3.28Å; D38-R41 IonicContact OD1-NH1 3.23Å; D38-R41 PolarHBondContact OD1-NH1 3.23Å; G39-R41 PolarHBondContact O-N 3.25Å |
| 42 | F | 94.9 | Very high | 95.8 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 8% | 0.079 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64.1 | -50.2 | 175.6 | 169 | -97.8 | 0 | 0 | 0 | 111.6 | M1 L2 A7 D38 G39 C40 R44 S45 K46 L49 | M1-F42 HydrophobicContact SD-CB 3.63Å; M1-F42 HydrophobicContact SD-CD2 4.42Å; M1-F42 HydrophobicContact SD-CG 4.13Å; L2-F42 HydrophobicContact CB-CE1 4.3Å; L2-F42 HydrophobicContact CB-CE2 3.98Å; L2-F42 HydrophobicContact CB-CZ 3.68Å; L2-F42 HydrophobicContact CD1-CE1 3.88Å; L2-F42 HydrophobicContact CD1-CZ 3.93Å; L2-F42 HydrophobicContact CG-CZ 4.36Å; A7-F42 HydrophobicContact CB-CZ 3.83Å; D38-F42 PolarHBondContact O-N 2.92Å; D38-F42 VanDerWaalsContact O-N 3.12Å; G39-F42 WeakPolarHBondContact O-CB 3.36Å; G39-F42 PolarHBondContact O-N 2.89Å; C40-F42 VanDerWaalsContact C-N 3.32Å; C40-F42 PolarHBondContact O-N 3.16Å; F42-R44 VanDerWaalsContact C-N 3.26Å; F42-R44 PolarHBondContact O-N 2.91Å; F42-S45 WeakPolarHBondContact O-CB 3.5Å; F42-S45 PolarHBondContact O-N 3.44Å; F42-S45 PolarHBondContact O-OG 2.77Å; F42-K46 HydrophobicContact CE1-CG 4.43Å; F42-K46 HydrophobicContact CE2-CG 4.43Å; F42-K46 HydrophobicContact CZ-CG 4.17Å; F42-L49 HydrophobicContact CE1-CD1 4.3Å |
| 43 | L | 95.9 | Very high | 95.8 | Very high | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -62.7 | -32.4 | -179.7 | -71.1 | 170.8 | 0 | 0 | 0 | 112.5 | I30 L33 G39 C40 S45 K46 L49 L50 L75 | I30-L43 HydrophobicContact CG2-CD1 4.14Å; I30-L43 HydrophobicContact CG2-CD2 4.19Å; L33-L43 HydrophobicContact CB-CD1 4.5Å; G39-L43 WeakPolarHBondContact O-CB 3.49Å; G39-L43 WeakPolarHBondContact O-CG 3.12Å; G39-L43 PolarHBondContact O-N 3.17Å; C40-L43 PolarHBondContact O-N 2.9Å; L43-S45 PolarHBondContact O-N 3.37Å; L43-K46 CarbonylContact O-C 3.54Å; L43-K46 PolarHBondContact O-N 3.1Å; L43-L49 HydrophobicContact CD2-CD1 4.37Å; L43-L50 HydrophobicContact CB-CD2 4.16Å; L43-L75 HydrophobicContact CB-CD2 4.21Å; L43-L75 HydrophobicContact CD1-CD2 3.83Å |
| 44 | R | 95.3 | Very high | 95.9 | Very high | 122 Ų | 122 | 46.6 Ų | 46.6 | 46% | 0.46 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -58.2 | -33.6 | 172.3 | -174.3 | -177.1 | 174 | -169.6 | 3 | 112.5 | C40 F42 K46 T80 L81 V84 | C40-R44 WeakPolarHBondContact O-CB 3.22Å; C40-R44 PolarHBondContact O-N 3.45Å; F42-R44 VanDerWaalsContact C-N 3.26Å; F42-R44 PolarHBondContact O-N 2.91Å; R44-K46 PolarHBondContact O-N 3.46Å; R44-T80 WeakPolarHBondContact CD-O 3.4Å; R44-T80 VanDerWaalsContact CZ-O 3.27Å; R44-T80 PolarHBondContact NE-O 3.2Å; R44-L81 HydrophobicContact CB-CD2 3.67Å; R44-L81 HydrophobicContact CB-CG 4.01Å; R44-L81 HydrophobicContact CG-CD2 4.15Å; R44-L81 HydrophobicContact CG-CG 4.32Å; R44-V84 HydrophobicContact CG-CG2 4.29Å |
| 45 | S | 94 | Very high | 95.9 | Very high | 76 Ų | 76 | 49 Ų | 49 | 53% | 0.531 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.1 | -0.2 | 177.5 | 74.9 | 0 | 0 | 0 | 0 | 114 | F42 L43 | F42-S45 WeakPolarHBondContact O-CB 3.5Å; F42-S45 PolarHBondContact O-N 3.44Å; F42-S45 PolarHBondContact O-OG 2.77Å; L43-S45 PolarHBondContact O-N 3.37Å |
| 46 | K | 95.4 | Very high | 96 | Very high | 33 Ų | 33 | 46.1 Ų | 46.1 | 14% | 0.143 | 24% | 0.239 | C | C | . | . | trans | -129.3 | 68.7 | -174.3 | -57.7 | -65 | 178.3 | 178.2 | 0 | 112.4 | D4 A7 F42 L43 R44 D48 L49 L50 | D4-K46 IonicContact OD1-NZ 3.56Å; D4-K46 PolarHBondContact OD1-NZ 3.32Å; A7-K46 HydrophobicContact CB-CD 4.47Å; F42-K46 HydrophobicContact CE1-CG 4.43Å; F42-K46 HydrophobicContact CE2-CG 4.43Å; F42-K46 HydrophobicContact CZ-CG 4.17Å; L43-K46 CarbonylContact O-C 3.54Å; L43-K46 PolarHBondContact O-N 3.1Å; R44-K46 PolarHBondContact O-N 3.46Å; K46-D48 WeakPolarHBondContact CA-OD1 3.47Å; K46-D48 PolarHBondContact O-N 2.82Å; K46-L49 HydrophobicContact CB-CB 4.04Å; K46-L49 HydrophobicContact CB-CD1 3.71Å; K46-L49 HydrophobicContact CB-CG 4.03Å; K46-L49 HydrophobicContact CG-CD1 3.98Å; K46-L49 PolarHBondContact O-N 3.24Å; K46-L49 VanDerWaalsContact O-N 3.14Å; K46-L50 PolarHBondContact O-N 3.29Å | ||
| 47 | P | 95.5 | Very high | 96 | Very high | 38 Ų | 38 | 44 Ų | 44 | 25% | 0.247 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -59.3 | -28.8 | 180 | -23 | 33.6 | 0 | 0 | 0 | 113.8 | L50 A51 V84 E88 | P47-L50 PolarHBondContact O-N 2.78Å; P47-A51 WeakPolarHBondContact O-CB 3.24Å; P47-A51 PolarHBondContact O-N 3.06Å; P47-V84 HydrophobicContact CB-CG1 3.98Å; P47-V84 HydrophobicContact CG-CG1 4.06Å; P47-E88 WeakPolarHBondContact CB-OE2 3.18Å; P47-E88 WeakPolarHBondContact CG-OE2 3.45Å |
| 48 | D | 96 | Very high | 96.1 | Very high | 79 Ų | 79 | 39.9 Ų | 39.9 | 42% | 0.422 | 22% | 0.223 | S | C | . | . | H | α-helix | trans | -62.5 | -44.3 | 174.4 | 56.1 | -19.2 | 0 | 0 | 0 | 112.8 | L11 K46 L50 A51 A52 | L11-D48 HydrophobicContact CD1-CB 4.44Å; L11-D48 HydrophobicContact CD2-CB 4.16Å; L11-D48 WeakPolarHBondContact CD2-OD2 3.48Å; K46-D48 WeakPolarHBondContact CA-OD1 3.47Å; K46-D48 PolarHBondContact O-N 2.82Å; D48-L50 VanDerWaalsContact C-N 3.33Å; D48-A51 PolarHBondContact O-N 3.38Å; D48-A52 WeakPolarHBondContact O-CB 3.49Å; D48-A52 PolarHBondContact O-N 3.45Å |
| 49 | L | 96.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -61.7 | -43.3 | 172.2 | -74.6 | 176.7 | 0 | 0 | 0 | 111 | L11 L14 F42 L43 K46 A52 L53 | L11-L49 HydrophobicContact CB-CD2 3.65Å; L11-L49 HydrophobicContact CD1-CD2 3.92Å; L11-L49 HydrophobicContact CG-CD2 4.39Å; L14-L49 HydrophobicContact CD1-CD2 3.7Å; F42-L49 HydrophobicContact CE1-CD1 4.3Å; L43-L49 HydrophobicContact CD2-CD1 4.37Å; K46-L49 HydrophobicContact CB-CB 4.04Å; K46-L49 HydrophobicContact CB-CD1 3.71Å; K46-L49 HydrophobicContact CB-CG 4.03Å; K46-L49 HydrophobicContact CG-CD1 3.98Å; K46-L49 PolarHBondContact O-N 3.24Å; K46-L49 VanDerWaalsContact O-N 3.14Å; L49-A52 PolarHBondContact O-N 3.21Å; L49-L53 WeakPolarHBondContact O-CB 3.23Å; L49-L53 WeakPolarHBondContact O-CD1 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.29Å; L49-L53 PolarHBondContact O-N 3.14Å |
| 50 | L | 97.5 | Very high | 96.2 | Very high | 1 Ų | 1 | 42.2 Ų | 42.2 | 1% | 0.005 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -64.3 | -41.4 | 178.9 | -59.6 | -171.8 | 0 | 0 | 0 | 112.1 | L43 K46 P47 D48 L53 F54 L75 L81 V84 L85 V89 | L43-L50 HydrophobicContact CB-CD2 4.16Å; K46-L50 PolarHBondContact O-N 3.29Å; P47-L50 PolarHBondContact O-N 2.78Å; D48-L50 VanDerWaalsContact C-N 3.33Å; L50-L53 HydrophobicContact CD2-CD1 4.27Å; L50-L53 PolarHBondContact O-N 3.29Å; L50-F54 VanDerWaalsContact O-CB 3.31Å; L50-F54 WeakPolarHBondContact O-CB 3.5Å; L50-F54 PolarHBondContact O-N 3.05Å; L50-L75 HydrophobicContact CD2-CD1 3.4Å; L50-L81 HydrophobicContact CD1-CD2 3.88Å; L50-V84 HydrophobicContact CD1-CG1 3.82Å; L50-L85 HydrophobicContact CD1-CD2 4.36Å; L50-V89 HydrophobicContact CB-CG2 3.74Å |
| 51 | A | 97.4 | Very high | 96.2 | Very high | 45 Ų | 45 | 43.7 Ų | 43.7 | 37% | 0.372 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -64.1 | -41.2 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | P47 D48 F54 A55 | P47-A51 WeakPolarHBondContact O-CB 3.24Å; P47-A51 PolarHBondContact O-N 3.06Å; D48-A51 PolarHBondContact O-N 3.38Å; A51-F54 PolarHBondContact O-N 3.1Å; A51-A55 PolarHBondContact O-N 2.79Å |
| 52 | A | 97.2 | Very high | 96.3 | Very high | 17 Ų | 17 | 41.5 Ų | 41.5 | 14% | 0.14 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -64.4 | -45.2 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | L11 L14 D48 L49 F54 A55 L56 | L11-A52 HydrophobicContact CD1-CB 3.68Å; L14-A52 HydrophobicContact CB-CB 3.78Å; L14-A52 HydrophobicContact CD1-CB 4.31Å; D48-A52 WeakPolarHBondContact O-CB 3.49Å; D48-A52 PolarHBondContact O-N 3.45Å; L49-A52 PolarHBondContact O-N 3.21Å; A52-F54 VanDerWaalsContact C-N 3.3Å; A52-F54 PolarHBondContact O-N 2.96Å; A52-A55 PolarHBondContact O-N 3Å; A52-L56 WeakPolarHBondContact O-CG 3.38Å; A52-L56 PolarHBondContact O-N 3.35Å; A52-L56 VanDerWaalsContact O-N 3.08Å |
| 53 | L | 97.4 | Very high | 96.4 | Very high | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.01 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -60.2 | -41.3 | 174.4 | -71.3 | 161.6 | 0 | 0 | 0 | 111.9 | L14 T27 I30 L49 L50 L56 T57 C68 I71 | L14-L53 HydrophobicContact CD1-CD2 4.19Å; L14-L53 HydrophobicContact CD1-CG 4.13Å; L14-L53 HydrophobicContact CD2-CD2 4.03Å; T27-L53 HydrophobicContact CG2-CD2 4.29Å; I30-L53 HydrophobicContact CD1-CD1 4.26Å; I30-L53 HydrophobicContact CD1-CD2 3.89Å; I30-L53 HydrophobicContact CD1-CG 4.39Å; I30-L53 HydrophobicContact CG2-CD1 3.76Å; I30-L53 HydrophobicContact CG2-CD2 4.3Å; L49-L53 WeakPolarHBondContact O-CB 3.23Å; L49-L53 WeakPolarHBondContact O-CD1 3.3Å; L49-L53 WeakPolarHBondContact O-CG 3.29Å; L49-L53 PolarHBondContact O-N 3.14Å; L50-L53 HydrophobicContact CD2-CD1 4.27Å; L50-L53 PolarHBondContact O-N 3.29Å; L53-L56 PolarHBondContact O-N 2.97Å; L53-T57 PolarHBondContact O-N 2.96Å; L53-C68 PolarHBondContact O-SG 3.18Å; L53-I71 HydrophobicContact CD1-CG2 4.2Å; L53-I71 HydrophobicContact CD2-CD1 3.85Å |
| 54 | F | 97.9 | Very high | 96.5 | Very high | 22 Ų | 22 | 43.8 Ų | 43.8 | 10% | 0.096 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66.2 | -40.8 | 177.3 | -178.1 | -123.9 | 0 | 0 | 0 | 111.9 | L50 A51 A52 L56 T57 L72 V89 V91 V94 L95 | L50-F54 VanDerWaalsContact O-CB 3.31Å; L50-F54 WeakPolarHBondContact O-CB 3.5Å; L50-F54 PolarHBondContact O-N 3.05Å; A51-F54 PolarHBondContact O-N 3.1Å; A52-F54 VanDerWaalsContact C-N 3.3Å; A52-F54 PolarHBondContact O-N 2.96Å; F54-L56 PolarHBondContact O-N 2.65Å; F54-T57 HydrophobicContact CD2-CG2 4.19Å; F54-T57 VanDerWaalsContact O-CB 3.31Å; F54-T57 WeakPolarHBondContact O-CB 3.48Å; F54-T57 WeakPolarHBondContact O-CG2 3.22Å; F54-T57 PolarHBondContact O-N 3.27Å; F54-T57 PolarHBondContact O-OG1 2.92Å; F54-L72 HydrophobicContact CD2-CD1 4.02Å; F54-V89 HydrophobicContact CB-CG1 3.73Å; F54-V89 HydrophobicContact CD1-CG1 3.72Å; F54-V89 HydrophobicContact CG-CG1 3.87Å; F54-V91 HydrophobicContact CD1-CG1 4.32Å; F54-V91 HydrophobicContact CD2-CB 4.35Å; F54-V91 HydrophobicContact CD2-CG1 3.82Å; F54-V91 HydrophobicContact CE1-CG1 4.31Å; F54-V91 HydrophobicContact CE2-CB 3.84Å; F54-V91 HydrophobicContact CE2-CG1 3.83Å; F54-V91 HydrophobicContact CG-CG1 4.05Å; F54-V91 VanDerWaalsContact CZ-CA 3.42Å; F54-V91 HydrophobicContact CZ-CB 3.91Å; F54-V91 HydrophobicContact CZ-CG1 4.05Å; F54-V94 HydrophobicContact CE1-CB 4.35Å; F54-V94 HydrophobicContact CE1-CG2 3.89Å; F54-V94 HydrophobicContact CE2-CB 4.4Å; F54-V94 HydrophobicContact CZ-CB 3.6Å; F54-V94 HydrophobicContact CZ-CG1 4.22Å; F54-V94 HydrophobicContact CZ-CG2 3.65Å; F54-L95 HydrophobicContact CE2-CD2 4.48Å |
| 55 | A | 97 | Very high | 96.6 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 44% | 0.438 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -60.1 | -35.9 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | A51 A52 T57 S58 | A51-A55 PolarHBondContact O-N 2.79Å; A52-A55 PolarHBondContact O-N 3Å; A55-T57 PolarHBondContact O-N 3.12Å; A55-S58 PolarHBondContact O-N 2.91Å |
| 56 | L | 97.3 | Very high | 96.8 | Very high | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.005 | 25% | 0.253 | C | S | . | . | G | 310 helix | trans | -70.6 | -6.1 | 175.8 | -68.1 | 179.8 | 0 | 0 | 0 | 114.2 | L14 K23 T27 A52 L53 F54 S58 D59 I64 C68 | L14-L56 HydrophobicContact CB-CD1 4.06Å; L14-L56 HydrophobicContact CD2-CD1 3.84Å; K23-L56 HydrophobicContact CD-CD2 3.99Å; T27-L56 HydrophobicContact CG2-CD1 4.21Å; A52-L56 WeakPolarHBondContact O-CG 3.38Å; A52-L56 PolarHBondContact O-N 3.35Å; A52-L56 VanDerWaalsContact O-N 3.08Å; L53-L56 PolarHBondContact O-N 2.97Å; F54-L56 PolarHBondContact O-N 2.65Å; L56-S58 PolarHBondContact O-N 3.24Å; L56-D59 HydrophobicContact CD2-CB 4.45Å; L56-D59 VanDerWaalsContact O-CB 3.22Å; L56-D59 WeakPolarHBondContact O-CB 3.36Å; L56-D59 PolarHBondContact O-N 3.45Å; L56-I64 HydrophobicContact CB-CG2 4.31Å; L56-I64 HydrophobicContact CD1-CG2 4.42Å; L56-C68 VanDerWaalsContact CB-SG 3.57Å |
| 57 | T | 97.1 | Very high | 96.9 | Very high | 6 Ų | 6 | 39.9 Ų | 39.9 | 4% | 0.037 | 25% | 0.254 | C | S | . | . | G | 310 helix | trans | -65.4 | -13.4 | 168.1 | 64.4 | 0 | 0 | 0 | 0 | 113 | L53 F54 A55 V65 C68 Y69 L72 | L53-T57 PolarHBondContact O-N 2.96Å; F54-T57 HydrophobicContact CD2-CG2 4.19Å; F54-T57 VanDerWaalsContact O-CB 3.31Å; F54-T57 WeakPolarHBondContact O-CB 3.48Å; F54-T57 WeakPolarHBondContact O-CG2 3.22Å; F54-T57 PolarHBondContact O-N 3.27Å; F54-T57 PolarHBondContact O-OG1 2.92Å; A55-T57 PolarHBondContact O-N 3.12Å; T57-V65 VanDerWaalsContact O-CG1 3.22Å; T57-V65 WeakPolarHBondContact O-CG1 3.42Å; T57-C68 HydrophobicContact CG2-CB 3.92Å; T57-Y69 HydrophobicContact CG2-CE1 4.47Å; T57-Y69 HydrophobicContact CG2-CE2 4.34Å; T57-L72 HydrophobicContact CG2-CD1 3.84Å |
| 58 | S | 95.6 | Very high | 97.1 | Very high | 94 Ų | 94 | 38.1 Ų | 38.1 | 66% | 0.657 | 24% | 0.243 | S | C | * | . | G | 310 helix | trans | -105 | 15.8 | 173.5 | -58 | 0 | 0 | 0 | 0 | 113.1 | A55 L56 | A55-S58 PolarHBondContact O-N 2.91Å; L56-S58 PolarHBondContact O-N 3.24Å |
| 59 | D | 96.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 34.3 Ų | 34.3 | 9% | 0.086 | 22% | 0.223 | C | C | . | . | trans | -66.7 | 145.4 | -180 | -162.9 | -91.5 | 0 | 0 | 0 | 112.2 | K23 L56 S61 I64 V65 | K23-D59 IonicContact NZ-OD1 3.45Å; K23-D59 IonicContact NZ-OD2 3.68Å; K23-D59 PolarHBondContact NZ-OD2 2.94Å; L56-D59 HydrophobicContact CD2-CB 4.45Å; L56-D59 VanDerWaalsContact O-CB 3.22Å; L56-D59 WeakPolarHBondContact O-CB 3.36Å; L56-D59 PolarHBondContact O-N 3.45Å; D59-S61 PolarHBondContact O-N 2.74Å; D59-S61 VanDerWaalsContact OD1-CB 3.28Å; D59-S61 WeakPolarHBondContact OD1-CB 3.37Å; D59-S61 PolarHBondContact OD1-N 3.19Å; D59-I64 HydrophobicContact CB-CB 4.47Å; D59-I64 HydrophobicContact CB-CG2 4.15Å; D59-V65 HydrophobicContact CB-CG2 3.92Å; D59-V65 WeakPolarHBondContact O-CG2 3.26Å | ||
| 60 | P | 94.6 | Very high | 97.3 | Very high | 125 Ų | 125 | 37.3 Ų | 37.3 | 81% | 0.812 | 24% | 0.236 | S | C | * | . | S | Bend | trans | -60.7 | -24.9 | 174.5 | -24.7 | 34.6 | 0 | 0 | 0 | 114.2 | V62 | P60-V62 PolarHBondContact O-N 3.35Š|
| 61 | S | 96.6 | Very high | 97.3 | Very high | 38 Ų | 38 | 37.2 Ų | 37.2 | 27% | 0.266 | 24% | 0.236 | S | C | . | . | trans | -84 | 110.3 | 178.1 | -178.4 | 0 | 0 | 0 | 0 | 111.4 | D59 A63 I64 V65 | D59-S61 PolarHBondContact O-N 2.74Å; D59-S61 VanDerWaalsContact OD1-CB 3.28Å; D59-S61 WeakPolarHBondContact OD1-CB 3.37Å; D59-S61 PolarHBondContact OD1-N 3.19Å; S61-A63 PolarHBondContact O-N 3.35Å; S61-A63 VanDerWaalsContact O-N 3.16Å; S61-I64 PolarHBondContact O-N 3.23Å; S61-V65 WeakPolarHBondContact O-CG2 3.44Å; S61-V65 PolarHBondContact O-N 3.24Å | ||
| 62 | V | 96.7 | Very high | 97.4 | Very high | 86 Ų | 86 | 35.3 Ų | 35.3 | 52% | 0.521 | 22% | 0.22 | S | C | . | . | H | α-helix | trans | -55.2 | -34.6 | 175.7 | 178.1 | 0 | 0 | 0 | 0 | 112.2 | P60 K66 L105 F106 | P60-V62 PolarHBondContact O-N 3.35Å; V62-K66 VanDerWaalsContact O-CB 3.25Å; V62-K66 WeakPolarHBondContact O-CB 3.46Å; V62-K66 PolarHBondContact O-N 3.24Å; V62-L105 HydrophobicContact CG1-CD2 3.6Å; V62-F106 HydrophobicContact CG1-CE2 4.46Å; V62-F106 HydrophobicContact CG1-CZ 3.86Å |
| 63 | A | 96.8 | Very high | 97.5 | Very high | 62 Ų | 62 | 36 Ų | 36 | 51% | 0.512 | 22% | 0.221 | S | C | . | . | H | α-helix | trans | -65.7 | -41.2 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | S61 K66 D67 | S61-A63 PolarHBondContact O-N 3.35Å; S61-A63 VanDerWaalsContact O-N 3.16Å; A63-K66 WeakPolarHBondContact O-CB 3.37Å; A63-K66 PolarHBondContact O-N 3.28Å; A63-D67 PolarHBondContact O-N 3.24Å; A63-D67 VanDerWaalsContact O-N 3.13Å |
| 64 | I | 97.3 | Very high | 97.5 | Very high | 3 Ų | 3 | 38.7 Ų | 38.7 | 2% | 0.015 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -67.7 | -47.4 | 177.5 | -65.6 | 175.1 | 0 | 0 | 0 | 109.8 | K23 T27 L56 D59 S61 K66 D67 C68 | K23-I64 HydrophobicContact CB-CD1 3.59Å; K23-I64 HydrophobicContact CD-CD1 4.24Å; T27-I64 HydrophobicContact CG2-CG2 4.12Å; L56-I64 HydrophobicContact CB-CG2 4.31Å; L56-I64 HydrophobicContact CD1-CG2 4.42Å; D59-I64 HydrophobicContact CB-CB 4.47Å; D59-I64 HydrophobicContact CB-CG2 4.15Å; S61-I64 PolarHBondContact O-N 3.23Å; I64-K66 VanDerWaalsContact C-N 3.25Å; I64-K66 PolarHBondContact O-N 3.22Å; I64-D67 PolarHBondContact O-N 3.15Å; I64-D67 VanDerWaalsContact O-N 3.13Å; I64-C68 PolarHBondContact O-N 2.92Å; I64-C68 PolarHBondContact O-SG 3.14Å |
| 65 | V | 97.9 | Very high | 97.6 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 5% | 0.048 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.1 | -42 | 177.6 | 178.1 | 0 | 0 | 0 | 0 | 110.9 | T57 D59 S61 D67 C68 Y69 F106 | T57-V65 VanDerWaalsContact O-CG1 3.22Å; T57-V65 WeakPolarHBondContact O-CG1 3.42Å; D59-V65 HydrophobicContact CB-CG2 3.92Å; D59-V65 WeakPolarHBondContact O-CG2 3.26Å; S61-V65 WeakPolarHBondContact O-CG2 3.44Å; S61-V65 PolarHBondContact O-N 3.24Å; V65-D67 PolarHBondContact O-N 3.22Å; V65-C68 PolarHBondContact O-N 3.1Å; V65-Y69 HydrophobicContact CG1-CD2 3.63Å; V65-Y69 HydrophobicContact CG1-CE2 3.54Å; V65-Y69 WeakPolarHBondContact O-CD2 3.42Å; V65-Y69 PolarHBondContact O-N 3.12Å; V65-F106 HydrophobicContact CB-CE2 3.81Å; V65-F106 HydrophobicContact CB-CZ 4.04Å; V65-F106 HydrophobicContact CG1-CD2 3.55Å; V65-F106 HydrophobicContact CG1-CE2 3.22Å; V65-F106 HydrophobicContact CG1-CG 4.38Å; V65-F106 HydrophobicContact CG1-CZ 3.8Å |
| 66 | K | 98.1 | Very high | 97.6 | Very high | 108 Ų | 108 | 35.1 Ų | 35.1 | 47% | 0.47 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -56.3 | -51.7 | 175.3 | -178 | -171.6 | 172.9 | -168.9 | 0 | 110.7 | V62 A63 I64 C68 Y69 H70 F106 | V62-K66 VanDerWaalsContact O-CB 3.25Å; V62-K66 WeakPolarHBondContact O-CB 3.46Å; V62-K66 PolarHBondContact O-N 3.24Å; A63-K66 WeakPolarHBondContact O-CB 3.37Å; A63-K66 PolarHBondContact O-N 3.28Å; I64-K66 VanDerWaalsContact C-N 3.25Å; I64-K66 PolarHBondContact O-N 3.22Å; K66-C68 VanDerWaalsContact C-N 3.32Å; K66-C68 PolarHBondContact O-N 3.31Å; K66-Y69 PolarHBondContact O-N 3.02Å; K66-H70 VanDerWaalsContact CG-CE1 3.49Å; K66-H70 WeakPolarHBondContact CG-CE1 3.31Å; K66-H70 PolarHBondContact O-N 3.2Å; K66-H70 PolarHBondContact O-ND1 3.38Å; K66-F106 HydrophobicContact CB-CE1 3.74Å; K66-F106 HydrophobicContact CB-CZ 4.05Å; K66-F106 HydrophobicContact CG-CE1 4.19Å |
| 67 | D | 98.3 | Very high | 97.7 | Very high | 34 Ų | 34 | 37.7 Ų | 37.7 | 18% | 0.182 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -60.8 | -42.8 | 179.7 | -68.6 | -12.3 | 0 | 0 | 0 | 111.4 | T27 A63 I64 V65 Y69 H70 I71 | T27-D67 PolarHBondContact OG1-OD2 2.95Å; A63-D67 PolarHBondContact O-N 3.24Å; A63-D67 VanDerWaalsContact O-N 3.13Å; I64-D67 PolarHBondContact O-N 3.15Å; I64-D67 VanDerWaalsContact O-N 3.13Å; V65-D67 PolarHBondContact O-N 3.22Å; D67-Y69 PolarHBondContact O-N 2.93Å; D67-H70 PolarHBondContact O-N 3.3Å; D67-I71 VanDerWaalsContact O-CG1 3.28Å; D67-I71 WeakPolarHBondContact O-CG1 3.19Å; D67-I71 PolarHBondContact O-N 3.17Å |
| 68 | C | 98.4 | Very high | 97.7 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -57.7 | -44.7 | 176.1 | -67.5 | 0 | 0 | 0 | 0 | 112.3 | L53 L56 T57 I64 V65 K66 I71 L72 | L53-C68 PolarHBondContact O-SG 3.18Å; L56-C68 VanDerWaalsContact CB-SG 3.57Å; T57-C68 HydrophobicContact CG2-CB 3.92Å; I64-C68 PolarHBondContact O-N 2.92Å; I64-C68 PolarHBondContact O-SG 3.14Å; V65-C68 PolarHBondContact O-N 3.1Å; K66-C68 VanDerWaalsContact C-N 3.32Å; K66-C68 PolarHBondContact O-N 3.31Å; C68-I71 PolarHBondContact O-N 3.07Å; C68-L72 WeakPolarHBondContact O-CG 3.47Å; C68-L72 PolarHBondContact O-N 3.04Å |
| 69 | Y | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 39.3 Ų | 39.3 | 0% | 0 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 176.1 | -84.9 | -66.2 | 0 | 0 | 0 | 112.9 | T57 V65 K66 D67 L72 I73 L95 F104 F106 Q109 I110 I113 | T57-Y69 HydrophobicContact CG2-CE1 4.47Å; T57-Y69 HydrophobicContact CG2-CE2 4.34Å; V65-Y69 HydrophobicContact CG1-CD2 3.63Å; V65-Y69 HydrophobicContact CG1-CE2 3.54Å; V65-Y69 WeakPolarHBondContact O-CD2 3.42Å; V65-Y69 PolarHBondContact O-N 3.12Å; K66-Y69 PolarHBondContact O-N 3.02Å; D67-Y69 PolarHBondContact O-N 2.93Å; Y69-L72 PolarHBondContact O-N 3.03Å; Y69-I73 WeakPolarHBondContact O-CG1 3.48Å; Y69-I73 PolarHBondContact O-N 3.15Å; Y69-L95 HydrophobicContact CE1-CD2 3.86Å; Y69-F104 HydrophobicContact CE2-CE1 4.27Å; Y69-F104 HydrophobicContact CE2-CZ 4.05Å; Y69-F104 AromaticContact CZ-CE1 4Å; Y69-F104 AromaticContact CZ-CZ 3.96Å; Y69-F104 WeakPolarHBondContact OH-CE1 3.42Å; Y69-F104 VanDerWaalsContact OH-CZ 3.23Å; Y69-F104 WeakPolarHBondContact OH-CZ 3.27Å; Y69-F106 HydrophobicContact CD2-CB 3.51Å; Y69-F106 AromaticContact CD2-CD1 3.91Å; Y69-F106 HydrophobicContact CD2-CD1 3.91Å; Y69-F106 AromaticContact CD2-CD2 3.87Å; Y69-F106 HydrophobicContact CD2-CD2 3.87Å; Y69-F106 AromaticContact CD2-CG 3.49Å; Y69-F106 HydrophobicContact CD2-CG 3.49Å; Y69-F106 VanDerWaalsContact CD2-CG 3.49Å; Y69-F106 HydrophobicContact CE2-CB 3.49Å; Y69-F106 VanDerWaalsContact CE2-CB 3.49Å; Y69-F106 AromaticContact CE2-CD2 3.75Å; Y69-F106 HydrophobicContact CE2-CD2 3.75Å; Y69-F106 AromaticContact CE2-CG 3.69Å; Y69-F106 HydrophobicContact CE2-CG 3.69Å; Y69-F106 HydrophobicContact CG-CB 4.08Å; Y69-F106 HydrophobicContact CG-CG 4.35Å; Y69-Q109 HydrophobicContact CD1-CB 4.13Å; Y69-Q109 HydrophobicContact CG-CB 4.16Å; Y69-I110 HydrophobicContact CE1-CD1 4.38Å; Y69-I110 HydrophobicContact CE1-CG1 3.75Å; Y69-I113 HydrophobicContact CD1-CD1 3.82Å; Y69-I113 HydrophobicContact CE1-CD1 4.41Å |
| 70 | H | 98.6 | Very high | 97.6 | Very high | 62 Ų | 62 | 41.3 Ų | 41.3 | 29% | 0.287 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -67.7 | -36.5 | 175.7 | -70.5 | 83.6 | 0 | 0 | 0 | 111.9 | L31 K66 D67 I73 N74 | L31-H70 HydrophobicContact CD1-CB 3.66Å; K66-H70 VanDerWaalsContact CG-CE1 3.49Å; K66-H70 WeakPolarHBondContact CG-CE1 3.31Å; K66-H70 PolarHBondContact O-N 3.2Å; K66-H70 PolarHBondContact O-ND1 3.38Å; D67-H70 PolarHBondContact O-N 3.3Å; H70-I73 PolarHBondContact O-N 2.73Å; H70-N74 PolarHBondContact O-N 3.33Å; H70-N74 VanDerWaalsContact O-N 3.07Å |
| 71 | I | 98.7 | Very high | 97.8 | Very high | 0 Ų | 0 | 35.3 Ų | 35.3 | 0% | 0 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -59.4 | -49.3 | 170.7 | -68 | 160.3 | 0 | 0 | 0 | 109.8 | I30 L31 L53 D67 C68 I73 N74 L75 | I30-I71 HydrophobicContact CB-CD1 4.05Å; I30-I71 HydrophobicContact CG2-CD1 3.81Å; I30-I71 HydrophobicContact CG2-CG1 4.27Å; I30-I71 HydrophobicContact CG2-CG2 4.17Å; L31-I71 HydrophobicContact CB-CD1 4.22Å; L31-I71 HydrophobicContact CB-CG1 3.86Å; L31-I71 HydrophobicContact CD1-CG1 3.89Å; L31-I71 HydrophobicContact CG-CG1 4.49Å; L53-I71 HydrophobicContact CD1-CG2 4.2Å; L53-I71 HydrophobicContact CD2-CD1 3.85Å; D67-I71 VanDerWaalsContact O-CG1 3.28Å; D67-I71 WeakPolarHBondContact O-CG1 3.19Å; D67-I71 PolarHBondContact O-N 3.17Å; C68-I71 PolarHBondContact O-N 3.07Å; I71-I73 VanDerWaalsContact C-N 3.29Å; I71-I73 PolarHBondContact O-N 3.18Å; I71-N74 PolarHBondContact O-N 3.39Å; I71-N74 VanDerWaalsContact O-N 3.15Å; I71-L75 HydrophobicContact CG2-CD1 3.67Å; I71-L75 HydrophobicContact CG2-CG 4.09Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.32Å; I71-L75 PolarHBondContact O-N 3.37Å |
| 72 | L | 98.8 | Very high | 97.8 | Very high | 5 Ų | 5 | 33.7 Ų | 33.7 | 3% | 0.026 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -63.6 | -32.9 | 179.2 | -68.1 | 171.1 | 0 | 0 | 0 | 112.9 | F54 T57 C68 Y69 S76 L85 I113 | F54-L72 HydrophobicContact CD2-CD1 4.02Å; T57-L72 HydrophobicContact CG2-CD1 3.84Å; C68-L72 WeakPolarHBondContact O-CG 3.47Å; C68-L72 PolarHBondContact O-N 3.04Å; Y69-L72 PolarHBondContact O-N 3.03Å; L72-S76 WeakPolarHBondContact O-CB 3.46Å; L72-S76 PolarHBondContact O-N 3.19Å; L72-S76 PolarHBondContact O-OG 2.95Å; L72-L85 HydrophobicContact CD2-CD2 4.13Å; L72-I113 HydrophobicContact CB-CD1 3.6Å; L72-I113 HydrophobicContact CB-CG1 4.22Å; L72-I113 HydrophobicContact CD1-CD1 4.46Å |
| 73 | I | 98.8 | Very high | 97.8 | Very high | 32 Ų | 32 | 32.6 Ų | 32.6 | 16% | 0.164 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -60.7 | -49.8 | 171.4 | -73.8 | 168 | 0 | 0 | 0 | 110.5 | Y69 H70 I71 L75 S76 A77 Q109 T112 I113 N116 | Y69-I73 WeakPolarHBondContact O-CG1 3.48Å; Y69-I73 PolarHBondContact O-N 3.15Å; H70-I73 PolarHBondContact O-N 2.73Å; I71-I73 VanDerWaalsContact C-N 3.29Å; I71-I73 PolarHBondContact O-N 3.18Å; I73-L75 PolarHBondContact O-N 3.15Å; I73-S76 PolarHBondContact O-N 3.2Å; I73-S76 PolarHBondContact O-OG 3.32Å; I73-A77 PolarHBondContact O-N 3.24Å; I73-A77 VanDerWaalsContact O-N 3.15Å; I73-Q109 HydrophobicContact CD1-CB 3.83Å; I73-Q109 HydrophobicContact CD1-CG 3.69Å; I73-T112 HydrophobicContact CD1-CG2 4.36Å; I73-T112 HydrophobicContact CG1-CG2 4.15Å; I73-T112 HydrophobicContact CG2-CG2 4.01Å; I73-I113 HydrophobicContact CG1-CD1 4.21Å; I73-I113 HydrophobicContact CG1-CG1 3.69Å; I73-N116 PolarHBondContact O-ND2 3.26Å |
| 74 | N | 98.6 | Very high | 97.8 | Very high | 57 Ų | 57 | 30.1 Ų | 30.1 | 31% | 0.305 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -61.8 | -44.4 | 179 | -69.1 | -13.1 | 0 | 0 | 0 | 111.6 | S34 H70 I71 A77 | S34-N74 WeakPolarHBondContact O-CB 3.29Å; S34-N74 PolarHBondContact OG-ND2 3.14Å; H70-N74 PolarHBondContact O-N 3.33Å; H70-N74 VanDerWaalsContact O-N 3.07Å; I71-N74 PolarHBondContact O-N 3.39Å; I71-N74 VanDerWaalsContact O-N 3.15Å; N74-A77 WeakPolarHBondContact O-CB 3.24Å; N74-A77 PolarHBondContact O-N 3.2Å |
| 75 | L | 98.6 | Very high | 97.9 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -68.7 | -38.9 | -179.1 | -63.7 | 176.2 | 0 | 0 | 0 | 112.6 | L43 L50 I71 I73 A77 D78 L81 L85 | L43-L75 HydrophobicContact CB-CD2 4.21Å; L43-L75 HydrophobicContact CD1-CD2 3.83Å; L50-L75 HydrophobicContact CD2-CD1 3.4Å; I71-L75 HydrophobicContact CG2-CD1 3.67Å; I71-L75 HydrophobicContact CG2-CG 4.09Å; I71-L75 VanDerWaalsContact O-CG 3.26Å; I71-L75 WeakPolarHBondContact O-CG 3.32Å; I71-L75 PolarHBondContact O-N 3.37Å; I73-L75 PolarHBondContact O-N 3.15Å; L75-A77 PolarHBondContact O-N 3.23Å; L75-D78 PolarHBondContact O-N 3.42Å; L75-L81 HydrophobicContact CB-CD1 4.2Å; L75-L81 HydrophobicContact CD2-CD1 3.58Å; L75-L81 HydrophobicContact CD2-CD2 4.28Å; L75-L81 HydrophobicContact CG-CD1 4.49Å; L75-L85 HydrophobicContact CB-CD1 4.17Å |
| 76 | S | 98.5 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.007 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -70.1 | -18.6 | 176.5 | 59.4 | 0 | 0 | 0 | 0 | 113 | L72 I73 D78 H82 N116 | L72-S76 WeakPolarHBondContact O-CB 3.46Å; L72-S76 PolarHBondContact O-N 3.19Å; L72-S76 PolarHBondContact O-OG 2.95Å; I73-S76 PolarHBondContact O-N 3.2Å; I73-S76 PolarHBondContact O-OG 3.32Å; S76-D78 VanDerWaalsContact C-N 3.28Å; S76-H82 PolarHBondContact O-NE2 2.81Å; S76-N116 VanDerWaalsContact O-CB 3.22Å; S76-N116 WeakPolarHBondContact O-CB 3.36Å; S76-N116 PolarHBondContact OG-ND2 3.26Å |
| 77 | A | 98 | Very high | 97.7 | Very high | 55 Ų | 55 | 28.5 Ų | 28.5 | 46% | 0.455 | 16% | 0.16 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -16 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | I73 N74 L75 | I73-A77 PolarHBondContact O-N 3.24Å; I73-A77 VanDerWaalsContact O-N 3.15Å; N74-A77 WeakPolarHBondContact O-CB 3.24Å; N74-A77 PolarHBondContact O-N 3.2Å; L75-A77 PolarHBondContact O-N 3.23Å |
| 78 | D | 97 | Very high | 97.6 | Very high | 33 Ų | 33 | 32.3 Ų | 32.3 | 18% | 0.176 | 18% | 0.177 | C | C | . | . | S | Bend | trans | -100.3 | 109 | 176.7 | -176.7 | -20.4 | 0 | 0 | 0 | 110.2 | L75 S76 T80 L81 H82 | L75-D78 PolarHBondContact O-N 3.42Å; S76-D78 VanDerWaalsContact C-N 3.28Å; D78-T80 VanDerWaalsContact CG-OG1 3.27Å; D78-T80 PolarHBondContact O-N 3.05Å; D78-T80 VanDerWaalsContact OD1-CB 3.26Å; D78-T80 WeakPolarHBondContact OD1-CB 3.44Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.47Å; D78-T80 PolarHBondContact OD1-N 2.95Å; D78-T80 PolarHBondContact OD1-OG1 3.26Å; D78-T80 PolarHBondContact OD2-OG1 3.32Å; D78-L81 HydrophobicContact CB-CD1 4Å; D78-L81 PolarHBondContact O-N 3.05Å; D78-H82 PolarHBondContact O-CD2 3.14Å; D78-H82 VanDerWaalsContact O-CD2 3.28Å |
| 79 | E | 95.9 | Very high | 97.6 | Very high | 101 Ų | 101 | 33.1 Ų | 33.1 | 47% | 0.472 | 18% | 0.181 | S | C | . | . | G | 310 helix | trans | -51 | -31.4 | -179.6 | -171.6 | -175.1 | -176 | 0 | 0 | 112.8 | L81 H82 H120 | E79-L81 PolarHBondContact O-N 3.42Å; E79-H82 WeakPolarHBondContact O-CB 3.32Å; E79-H82 PolarHBondContact O-N 3.28Å; E79-H82 VanDerWaalsContact O-N 3.17Å; E79-H120 HydrophobicContact CG-CB 4.5Å; E79-H120 IonicContact OE1-CD2 3.57Å; E79-H120 IonicContact OE1-CG 2.9Å; E79-H120 IonicContact OE1-ND1 3.84Å; E79-H120 IonicContact OE2-CE1 2.86Å; E79-H120 PolarHBondContact OE2-CE1 2.77Å; E79-H120 IonicContact OE2-CG 2.83Å; E79-H120 IonicContact OE2-ND1 3.74Å; E79-H120 IonicContact OE2-NE2 3.32Å |
| 80 | T | 95.8 | Very high | 97.5 | Very high | 57 Ų | 57 | 39 Ų | 39 | 35% | 0.35 | 21% | 0.209 | S | C | . | . | G | 310 helix | trans | -67.3 | -20.9 | -176.8 | 73.8 | 0 | 0 | 0 | 0 | 113.6 | R44 D78 | R44-T80 WeakPolarHBondContact CD-O 3.4Å; R44-T80 VanDerWaalsContact CZ-O 3.27Å; R44-T80 PolarHBondContact NE-O 3.2Å; D78-T80 VanDerWaalsContact CG-OG1 3.27Å; D78-T80 PolarHBondContact O-N 3.05Å; D78-T80 VanDerWaalsContact OD1-CB 3.26Å; D78-T80 WeakPolarHBondContact OD1-CB 3.44Å; D78-T80 WeakPolarHBondContact OD1-CG2 3.47Å; D78-T80 PolarHBondContact OD1-N 2.95Å; D78-T80 PolarHBondContact OD1-OG1 3.26Å; D78-T80 PolarHBondContact OD2-OG1 3.32Å |
| 81 | L | 97.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 20% | 0.196 | C | C | . | . | G | 310 helix | trans | -91.5 | -14.7 | 178 | -84.2 | 147.8 | 0 | 0 | 0 | 113.4 | C40 R44 L50 L75 D78 E79 Q83 V84 L85 | C40-L81 HydrophobicContact CB-CD1 3.79Å; R44-L81 HydrophobicContact CB-CD2 3.67Å; R44-L81 HydrophobicContact CB-CG 4.01Å; R44-L81 HydrophobicContact CG-CD2 4.15Å; R44-L81 HydrophobicContact CG-CG 4.32Å; L50-L81 HydrophobicContact CD1-CD2 3.88Å; L75-L81 HydrophobicContact CB-CD1 4.2Å; L75-L81 HydrophobicContact CD2-CD1 3.58Å; L75-L81 HydrophobicContact CD2-CD2 4.28Å; L75-L81 HydrophobicContact CG-CD1 4.49Å; D78-L81 HydrophobicContact CB-CD1 4Å; D78-L81 PolarHBondContact O-N 3.05Å; E79-L81 PolarHBondContact O-N 3.42Å; L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.32Å; L81-V84 PolarHBondContact O-N 2.86Å; L81-V84 VanDerWaalsContact O-N 3.09Å; L81-L85 HydrophobicContact CB-CD1 4.36Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.88Å |
| 82 | H | 97.9 | Very high | 97.5 | Very high | 3 Ų | 3 | 36.3 Ų | 36.3 | 1% | 0.014 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -53.9 | -47.8 | -172.2 | -75.7 | -161.4 | 0 | 0 | 0 | 112.8 | S76 D78 E79 V84 L85 V86 N116 L117 H120 T123 | S76-H82 PolarHBondContact O-NE2 2.81Å; D78-H82 PolarHBondContact O-CD2 3.14Å; D78-H82 VanDerWaalsContact O-CD2 3.28Å; E79-H82 WeakPolarHBondContact O-CB 3.32Å; E79-H82 PolarHBondContact O-N 3.28Å; E79-H82 VanDerWaalsContact O-N 3.17Å; H82-V84 VanDerWaalsContact C-N 3.33Å; H82-V84 PolarHBondContact O-N 3.1Å; H82-L85 PolarHBondContact O-N 2.84Å; H82-V86 WeakPolarHBondContact O-CG1 3.39Å; H82-V86 VanDerWaalsContact O-CG2 3.29Å; H82-V86 WeakPolarHBondContact O-CG2 3.29Å; H82-V86 PolarHBondContact O-N 3.37Å; H82-N116 PolarHBondContact CE1-O 3.31Å; H82-L117 HydrophobicContact CB-CD2 4.38Å; H82-H120 AromaticContact CE1-CD2 4Å; H82-T123 HydrophobicContact CB-CG2 3.84Å; H82-T123 WeakPolarHBondContact CB-OG1 3.35Å; H82-T123 PolarHBondContact ND1-OG1 3.42Å; H82-T123 VanDerWaalsContact ND1-OG1 3.14Å |
| 83 | Q | 96.1 | Very high | 97.5 | Very high | 63 Ų | 63 | 38.2 Ų | 38.2 | 29% | 0.294 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -64.2 | -38.1 | -177.5 | -62.4 | -62.9 | -69 | 0 | 0 | 112.1 | L81 C87 | L81-Q83 VanDerWaalsContact C-N 3.33Å; L81-Q83 PolarHBondContact O-N 3.32Å; Q83-C87 WeakPolarHBondContact O-CB 3.37Å; Q83-C87 PolarHBondContact O-N 2.87Å |
| 84 | V | 97.3 | Very high | 97.5 | Very high | 10 Ų | 10 | 39.1 Ų | 39.1 | 6% | 0.061 | 22% | 0.216 | C | C | . | . | I | π-helix | trans | -65.4 | -44.5 | 175.5 | -175.3 | 0 | 0 | 0 | 0 | 109.7 | R44 P47 L50 L81 H82 E88 V89 | R44-V84 HydrophobicContact CG-CG2 4.29Å; P47-V84 HydrophobicContact CB-CG1 3.98Å; P47-V84 HydrophobicContact CG-CG1 4.06Å; L50-V84 HydrophobicContact CD1-CG1 3.82Å; L81-V84 PolarHBondContact O-N 2.86Å; L81-V84 VanDerWaalsContact O-N 3.09Å; H82-V84 VanDerWaalsContact C-N 3.33Å; H82-V84 PolarHBondContact O-N 3.1Å; V84-E88 HydrophobicContact CG1-CB 4.29Å; V84-E88 WeakPolarHBondContact O-CB 3.35Å; V84-E88 PolarHBondContact O-N 2.83Å; V84-E88 VanDerWaalsContact O-N 3.11Å; V84-V89 HydrophobicContact CG1-CG2 4.46Å; V84-V89 PolarHBondContact O-N 3.27Å |
| 85 | L | 98.4 | Very high | 97.5 | Very high | 2 Ų | 2 | 36.5 Ų | 36.5 | 1% | 0.01 | 20% | 0.202 | C | C | . | . | I | π-helix | trans | -64.4 | -44.3 | 179.7 | -67.1 | 173.2 | 0 | 0 | 0 | 112.9 | L50 L72 L75 L81 H82 Q90 V91 L117 | L50-L85 HydrophobicContact CD1-CD2 4.36Å; L72-L85 HydrophobicContact CD2-CD2 4.13Å; L75-L85 HydrophobicContact CB-CD1 4.17Å; L81-L85 HydrophobicContact CB-CD1 4.36Å; L81-L85 WeakPolarHBondContact O-CG 3.49Å; L81-L85 PolarHBondContact O-N 2.88Å; H82-L85 PolarHBondContact O-N 2.84Å; L85-Q90 PolarHBondContact O-N 3.46Å; L85-V91 HydrophobicContact CB-CG2 4.3Å; L85-V91 HydrophobicContact CD2-CG1 4.46Å; L85-V91 PolarHBondContact O-N 3.22Å; L85-V91 VanDerWaalsContact O-N 3.07Å; L85-L117 HydrophobicContact CD1-CD2 4.15Å |
| 86 | V | 97.7 | Very high | 97.5 | Very high | 11 Ų | 11 | 36.6 Ų | 36.6 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | I | π-helix | trans | -87.2 | -34.3 | -174 | -54.2 | 0 | 0 | 0 | 0 | 113.3 | H82 Q90 L92 L117 T123 T126 | H82-V86 WeakPolarHBondContact O-CG1 3.39Å; H82-V86 VanDerWaalsContact O-CG2 3.29Å; H82-V86 WeakPolarHBondContact O-CG2 3.29Å; H82-V86 PolarHBondContact O-N 3.37Å; V86-Q90 WeakPolarHBondContact O-CA 3.5Å; V86-L92 HydrophobicContact CB-CD1 4.07Å; V86-L92 HydrophobicContact CG1-CD1 3.9Å; V86-L92 HydrophobicContact CG1-CG 4.13Å; V86-L117 HydrophobicContact CG1-CD1 4.26Å; V86-L117 HydrophobicContact CG1-CD2 4.34Å; V86-T123 HydrophobicContact CG1-CG2 4.07Å; V86-T126 HydrophobicContact CB-CG2 4.22Å; V86-T126 HydrophobicContact CG2-CG2 4.04Å |
| 87 | C | 95.3 | Very high | 97.5 | Very high | 72 Ų | 72 | 43.6 Ų | 43.6 | 49% | 0.486 | 23% | 0.233 | S | C | . | . | I | π-helix | trans | -97.8 | -42.9 | -175.6 | -58.6 | 0 | 0 | 0 | 0 | 113.2 | Q83 Q90 | Q83-C87 WeakPolarHBondContact O-CB 3.37Å; Q83-C87 PolarHBondContact O-N 2.87Å; C87-Q90 WeakPolarHBondContact O-CG 3.46Å |
| 88 | E | 95.6 | Very high | 97.5 | Very high | 115 Ų | 115 | 42.4 Ų | 42.4 | 54% | 0.537 | 22% | 0.219 | S | C | . | . | I | π-helix | trans | -89 | -51.7 | -175.7 | -60.9 | -178.3 | -129 | 0 | 0 | 111.2 | P47 V84 | P47-E88 WeakPolarHBondContact CB-OE2 3.18Å; P47-E88 WeakPolarHBondContact CG-OE2 3.45Å; V84-E88 HydrophobicContact CG1-CB 4.29Å; V84-E88 WeakPolarHBondContact O-CB 3.35Å; V84-E88 PolarHBondContact O-N 2.83Å; V84-E88 VanDerWaalsContact O-N 3.11Å |
| 89 | V | 97.4 | Very high | 97.5 | Very high | 16 Ų | 16 | 40.8 Ų | 40.8 | 10% | 0.097 | 21% | 0.211 | C | C | . | . | S | Bend | trans | -79.9 | -26.1 | 179.5 | -175.7 | 0 | 0 | 0 | 0 | 111.8 | L50 F54 V84 V91 | L50-V89 HydrophobicContact CB-CG2 3.74Å; F54-V89 HydrophobicContact CB-CG1 3.73Å; F54-V89 HydrophobicContact CD1-CG1 3.72Å; F54-V89 HydrophobicContact CG-CG1 3.87Å; V84-V89 HydrophobicContact CG1-CG2 4.46Å; V84-V89 PolarHBondContact O-N 3.27Å; V89-V91 HydrophobicContact CB-CG1 4.11Å; V89-V91 HydrophobicContact CG1-CG1 3.6Å |
| 90 | Q | 97.3 | Very high | 97.6 | Very high | 124 Ų | 124 | 39 Ų | 39 | 58% | 0.579 | 20% | 0.202 | S | C | * | . | trans | 54.3 | 54.2 | -179.8 | -62.1 | 177.3 | 83.4 | 0 | 0 | 112.6 | L85 V86 C87 L92 P93 | L85-Q90 PolarHBondContact O-N 3.46Å; V86-Q90 WeakPolarHBondContact O-CA 3.5Å; C87-Q90 WeakPolarHBondContact O-CG 3.46Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.21Å; Q90-P93 WeakPolarHBondContact O-CD 3.12Å | ||
| 91 | V | 98.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 39.6 Ų | 39.6 | 2% | 0.018 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -66.9 | -31.9 | -175.9 | -60.7 | 0 | 0 | 0 | 0 | 113.6 | F54 L85 V89 V94 L95 L117 | F54-V91 HydrophobicContact CD1-CG1 4.32Å; F54-V91 HydrophobicContact CD2-CB 4.35Å; F54-V91 HydrophobicContact CD2-CG1 3.82Å; F54-V91 HydrophobicContact CE1-CG1 4.31Å; F54-V91 HydrophobicContact CE2-CB 3.84Å; F54-V91 HydrophobicContact CE2-CG1 3.83Å; F54-V91 HydrophobicContact CG-CG1 4.05Å; F54-V91 VanDerWaalsContact CZ-CA 3.42Å; F54-V91 HydrophobicContact CZ-CB 3.91Å; F54-V91 HydrophobicContact CZ-CG1 4.05Å; L85-V91 HydrophobicContact CB-CG2 4.3Å; L85-V91 HydrophobicContact CD2-CG1 4.46Å; L85-V91 PolarHBondContact O-N 3.22Å; L85-V91 VanDerWaalsContact O-N 3.07Å; V89-V91 HydrophobicContact CB-CG1 4.11Å; V89-V91 HydrophobicContact CG1-CG1 3.6Å; V91-V94 PolarHBondContact O-N 3.32Å; V91-L95 HydrophobicContact CB-CD1 3.91Å; V91-L95 HydrophobicContact CB-CG 4.35Å; V91-L95 HydrophobicContact CG2-CD1 3.84Å; V91-L95 VanDerWaalsContact O-CG 3.26Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 3.31Å; V91-L95 VanDerWaalsContact O-N 3.12Å; V91-L117 HydrophobicContact CG2-CD1 4.16Å |
| 92 | L | 98.6 | Very high | 97.6 | Very high | 3 Ų | 3 | 42.3 Ų | 42.3 | 2% | 0.016 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.5 | -47.2 | -166.1 | -62.5 | 172.7 | 0 | 0 | 0 | 114.8 | V86 Q90 V94 L95 L96 L114 L117 T126 V127 V130 | V86-L92 HydrophobicContact CB-CD1 4.07Å; V86-L92 HydrophobicContact CG1-CD1 3.9Å; V86-L92 HydrophobicContact CG1-CG 4.13Å; Q90-L92 VanDerWaalsContact C-N 3.31Å; Q90-L92 PolarHBondContact O-N 3.21Å; L92-V94 VanDerWaalsContact C-N 3.34Å; L92-V94 PolarHBondContact O-N 3.47Å; L92-L95 PolarHBondContact O-N 3.48Å; L92-L96 WeakPolarHBondContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.23Å; L92-L96 PolarHBondContact O-N 3.43Å; L92-L114 HydrophobicContact CD2-CD2 3.67Å; L92-L117 HydrophobicContact CD2-CD1 3.84Å; L92-T126 HydrophobicContact CD1-CG2 4.19Å; L92-V127 HydrophobicContact CD1-CG2 4.12Å; L92-V127 HydrophobicContact CD2-CG2 3.99Å; L92-V130 HydrophobicContact CB-CB 4.17Å; L92-V130 HydrophobicContact CB-CG1 3.8Å; L92-V130 HydrophobicContact CB-CG2 4.43Å; L92-V130 HydrophobicContact CD1-CB 4.19Å; L92-V130 HydrophobicContact CD1-CG2 3.99Å |
| 93 | P | 98.5 | Very high | 97.6 | Very high | 45 Ų | 45 | 46.1 Ų | 46.1 | 29% | 0.292 | 24% | 0.239 | S | C | . | . | H | α-helix | trans | -60.8 | -40.5 | -177.8 | -24.4 | 35.9 | 0 | 0 | 0 | 113.2 | Q90 K97 V130 Q134 | Q90-P93 WeakPolarHBondContact O-CD 3.12Å; P93-K97 VanDerWaalsContact O-CB 3.27Å; P93-K97 WeakPolarHBondContact O-CB 3.41Å; P93-K97 PolarHBondContact O-N 3.19Å; P93-V130 HydrophobicContact CG-CG1 4.01Å; P93-Q134 HydrophobicContact CB-CG 4.46Å |
| 94 | V | 98.3 | Very high | 97.7 | Very high | 51 Ų | 51 | 44.7 Ų | 44.7 | 31% | 0.309 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -71.9 | -42 | 179.4 | -172.4 | 0 | 0 | 0 | 0 | 110.7 | F54 V91 L92 L96 K97 N98 | F54-V94 HydrophobicContact CE1-CB 4.35Å; F54-V94 HydrophobicContact CE1-CG2 3.89Å; F54-V94 HydrophobicContact CE2-CB 4.4Å; F54-V94 HydrophobicContact CZ-CB 3.6Å; F54-V94 HydrophobicContact CZ-CG1 4.22Å; F54-V94 HydrophobicContact CZ-CG2 3.65Å; V91-V94 PolarHBondContact O-N 3.32Å; L92-V94 VanDerWaalsContact C-N 3.34Å; L92-V94 PolarHBondContact O-N 3.47Å; V94-L96 PolarHBondContact O-N 2.87Å; V94-K97 PolarHBondContact O-N 2.94Å; V94-N98 WeakPolarHBondContact O-CB 3.29Å; V94-N98 VanDerWaalsContact O-CG 3.3Å; V94-N98 PolarHBondContact O-N 3.28Å |
| 95 | L | 98.7 | Very high | 97.7 | Very high | 1 Ų | 1 | 47.9 Ų | 47.9 | 1% | 0.005 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -60.1 | -47 | 177.5 | -67.1 | 177.3 | 0 | 0 | 0 | 111.1 | F54 Y69 V91 L92 K97 N98 L99 I110 I113 L114 | F54-L95 HydrophobicContact CE2-CD2 4.48Å; Y69-L95 HydrophobicContact CE1-CD2 3.86Å; V91-L95 HydrophobicContact CB-CD1 3.91Å; V91-L95 HydrophobicContact CB-CG 4.35Å; V91-L95 HydrophobicContact CG2-CD1 3.84Å; V91-L95 VanDerWaalsContact O-CG 3.26Å; V91-L95 WeakPolarHBondContact O-CG 3.48Å; V91-L95 PolarHBondContact O-N 3.31Å; V91-L95 VanDerWaalsContact O-N 3.12Å; L92-L95 PolarHBondContact O-N 3.48Å; L95-K97 PolarHBondContact O-N 2.87Å; L95-N98 PolarHBondContact O-N 3.27Å; L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 PolarHBondContact O-N 3.47Å; L95-I110 HydrophobicContact CB-CG2 3.99Å; L95-I110 HydrophobicContact CD2-CD1 4.41Å; L95-I110 HydrophobicContact CD2-CG1 3.89Å; L95-I113 HydrophobicContact CD1-CG2 3.72Å; L95-L114 HydrophobicContact CB-CD2 4.49Å; L95-L114 HydrophobicContact CD1-CD2 4.4Å |
| 96 | L | 98.6 | Very high | 97.7 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.251 | C | S | . | . | H | α-helix | trans | -68 | -34.1 | 179.1 | -70.6 | 167.3 | 0 | 0 | 0 | 112.7 | L92 V94 Q100 L114 V130 L131 Q134 L135 | L92-L96 WeakPolarHBondContact O-CB 3.3Å; L92-L96 WeakPolarHBondContact O-CG 3.23Å; L92-L96 PolarHBondContact O-N 3.43Å; V94-L96 PolarHBondContact O-N 2.87Å; L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-NE2 3.05Å; L96-Q100 VanDerWaalsContact O-NE2 3.14Å; L96-L114 HydrophobicContact CD2-CD1 3.85Å; L96-V130 HydrophobicContact CD1-CB 4.44Å; L96-V130 HydrophobicContact CD1-CG1 3.92Å; L96-L131 HydrophobicContact CD1-CB 4.41Å; L96-L131 HydrophobicContact CD2-CD1 3.65Å; L96-Q134 HydrophobicContact CB-CB 4.14Å; L96-Q134 HydrophobicContact CD1-CB 4.13Å; L96-Q134 HydrophobicContact CD1-CG 4.35Å; L96-L135 HydrophobicContact CD2-CD2 4.45Å |
| 97 | K | 98.1 | Very high | 97.7 | Very high | 148 Ų | 148 | 48.1 Ų | 48.1 | 64% | 0.643 | 25% | 0.248 | S | C | * | . | H | α-helix | trans | -65.3 | -46.5 | 172.3 | -178.3 | -178.1 | 177.4 | -176.8 | 0 | 111.6 | P93 V94 L95 L99 Q100 | P93-K97 VanDerWaalsContact O-CB 3.27Å; P93-K97 WeakPolarHBondContact O-CB 3.41Å; P93-K97 PolarHBondContact O-N 3.19Å; V94-K97 PolarHBondContact O-N 2.94Å; L95-K97 PolarHBondContact O-N 2.87Å; K97-L99 VanDerWaalsContact C-N 3.33Å; K97-L99 PolarHBondContact O-N 3.47Å; K97-Q100 WeakPolarHBondContact O-CB 3.29Å; K97-Q100 PolarHBondContact O-N 2.92Å |
| 98 | N | 98.1 | Very high | 97.9 | Very high | 30 Ų | 30 | 47.1 Ų | 47.1 | 16% | 0.16 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -68.8 | -32.6 | -179.8 | -70.5 | -1.7 | 0 | 0 | 0 | 111.9 | V94 L95 Q100 D101 F104 I110 | V94-N98 WeakPolarHBondContact O-CB 3.29Å; V94-N98 VanDerWaalsContact O-CG 3.3Å; V94-N98 PolarHBondContact O-N 3.28Å; L95-N98 PolarHBondContact O-N 3.27Å; N98-Q100 PolarHBondContact O-N 3.48Å; N98-D101 PolarHBondContact O-N 3.08Å; N98-D101 VanDerWaalsContact O-N 3.09Å; N98-F104 HydrophobicContact CB-CD1 3.99Å; N98-F104 HydrophobicContact CB-CD2 4.24Å; N98-F104 HydrophobicContact CB-CE1 3.87Å; N98-F104 HydrophobicContact CB-CE2 4.13Å; N98-F104 HydrophobicContact CB-CG 4.19Å; N98-F104 HydrophobicContact CB-CZ 3.96Å; N98-F104 WeakPolarHBondContact O-CB 3.11Å; N98-I110 HydrophobicContact CB-CD1 3.59Å |
| 99 | L | 98.1 | Very high | 98 | Very high | 0 Ų | 0 | 43.6 Ų | 43.6 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -60.9 | -27.9 | 174.7 | -175.2 | 65.2 | 0 | 0 | 0 | 112.8 | L95 K97 D101 I110 L114 L140 F149 L155 L158 | L95-L99 WeakPolarHBondContact O-CB 3.46Å; L95-L99 PolarHBondContact O-N 3.47Å; K97-L99 VanDerWaalsContact C-N 3.33Å; K97-L99 PolarHBondContact O-N 3.47Å; L99-D101 VanDerWaalsContact C-N 3.28Å; L99-D101 PolarHBondContact O-N 3.27Å; L99-I110 HydrophobicContact CB-CG2 4.11Å; L99-I110 HydrophobicContact CD1-CG2 4.26Å; L99-L114 HydrophobicContact CD2-CD1 4.04Å; L99-L140 HydrophobicContact CD2-CD1 3.89Å; L99-F149 WeakPolarHBondContact O-CE1 3.46Å; L99-L155 HydrophobicContact CD1-CD2 4.24Å; L99-L158 HydrophobicContact CD2-CD2 4.11Å |
| 100 | Q | 97.8 | Very high | 98.1 | Very high | 64 Ų | 64 | 42.9 Ų | 42.9 | 30% | 0.299 | 22% | 0.217 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -77.1 | -11.6 | 177.5 | -69.5 | 174.2 | 72 | 0 | 0 | 113.5 | L96 K97 N98 P102 Q134 L135 I143 F149 | L96-Q100 WeakPolarHBondContact O-CG 3.43Å; L96-Q100 PolarHBondContact O-NE2 3.05Å; L96-Q100 VanDerWaalsContact O-NE2 3.14Å; K97-Q100 WeakPolarHBondContact O-CB 3.29Å; K97-Q100 PolarHBondContact O-N 2.92Å; N98-Q100 PolarHBondContact O-N 3.48Å; Q100-P102 WeakPolarHBondContact O-CD 3.02Å; Q100-Q134 PolarHBondContact NE2-O 2.84Å; Q100-Q134 VanDerWaalsContact NE2-O 3.1Å; Q100-L135 HydrophobicContact CG-CD1 3.67Å; Q100-L135 HydrophobicContact CG-CD2 4.49Å; Q100-I143 HydrophobicContact CG-CD1 4.37Å; Q100-F149 WeakPolarHBondContact O-CZ 3.43Å |
| 101 | D | 97.4 | Very high | 98.2 | Very high | 69 Ų | 69 | 37 Ų | 37 | 37% | 0.369 | 19% | 0.189 | S | C | . | . | trans | -83.9 | 114.4 | 177.9 | 172.3 | 10.2 | 0 | 0 | 0 | 110.2 | N98 L99 E103 F104 N150 | N98-D101 PolarHBondContact O-N 3.08Å; N98-D101 VanDerWaalsContact O-N 3.09Å; L99-D101 VanDerWaalsContact C-N 3.28Å; L99-D101 PolarHBondContact O-N 3.27Å; D101-E103 PolarHBondContact O-N 3.19Å; D101-E103 VanDerWaalsContact O-N 3.12Å; D101-E103 PolarHBondContact OD1-N 2.94Å; D101-F104 HydrophobicContact CB-CB 3.88Å; D101-F104 WeakPolarHBondContact O-CB 3.45Å; D101-F104 PolarHBondContact O-N 3.47Å; D101-F104 VanDerWaalsContact O-N 3.13Å; D101-N150 PolarHBondContact O-ND2 3.2Å; D101-N150 VanDerWaalsContact O-ND2 3.16Å | ||
| 102 | P | 97 | Very high | 98.2 | Very high | 57 Ų | 57 | 38 Ų | 38 | 37% | 0.37 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -11.5 | -178.4 | 30 | -37.2 | 0 | 0 | 0 | 113.3 | Q100 F149 N150 | Q100-P102 WeakPolarHBondContact O-CD 3.02Å; P102-F149 WeakPolarHBondContact CA-O 3.49Å; P102-F149 WeakPolarHBondContact CB-O 3.4Å; P102-N150 WeakPolarHBondContact O-CA 3.36Å; P102-N150 WeakPolarHBondContact O-CB 3.42Å; P102-N150 PolarHBondContact O-ND2 2.97Å; P102-N150 PolarHBondContact O-OD1 2.99Å |
| 103 | E | 96.7 | Very high | 98.2 | Very high | 83 Ų | 83 | 38 Ų | 38 | 39% | 0.388 | 20% | 0.195 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -111 | 4.5 | 178.6 | -69.1 | -65.5 | 144.8 | 0 | 0 | 112.7 | D101 L105 K152 | D101-E103 PolarHBondContact O-N 3.19Å; D101-E103 VanDerWaalsContact O-N 3.12Å; D101-E103 PolarHBondContact OD1-N 2.94Å; E103-L105 PolarHBondContact O-N 3.45Å; E103-K152 WeakPolarHBondContact O-CD 3.5Å; E103-K152 PolarHBondContact O-NZ 2.88Å; E103-K152 WeakPolarHBondContact OE2-CE 3.27Å; E103-K152 IonicContact OE2-NZ 2.61Å; E103-K152 PolarHBondContact OE2-NZ 3.43Å; E103-K152 VanDerWaalsContact OE2-NZ 3.09Å |
| 104 | F | 97.6 | Very high | 98.2 | Very high | 32 Ų | 32 | 35.9 Ų | 35.9 | 14% | 0.14 | 18% | 0.182 | C | C | . | . | trans | -69.1 | 127.4 | 179.9 | -166.1 | -107.5 | 0 | 0 | 0 | 111.2 | Y69 N98 D101 F106 S107 I110 N150 | Y69-F104 HydrophobicContact CE2-CE1 4.27Å; Y69-F104 HydrophobicContact CE2-CZ 4.05Å; Y69-F104 AromaticContact CZ-CE1 4Å; Y69-F104 AromaticContact CZ-CZ 3.96Å; Y69-F104 WeakPolarHBondContact OH-CE1 3.42Å; Y69-F104 VanDerWaalsContact OH-CZ 3.23Å; Y69-F104 WeakPolarHBondContact OH-CZ 3.27Å; N98-F104 HydrophobicContact CB-CD1 3.99Å; N98-F104 HydrophobicContact CB-CD2 4.24Å; N98-F104 HydrophobicContact CB-CE1 3.87Å; N98-F104 HydrophobicContact CB-CE2 4.13Å; N98-F104 HydrophobicContact CB-CG 4.19Å; N98-F104 HydrophobicContact CB-CZ 3.96Å; N98-F104 WeakPolarHBondContact O-CB 3.11Å; D101-F104 HydrophobicContact CB-CB 3.88Å; D101-F104 WeakPolarHBondContact O-CB 3.45Å; D101-F104 PolarHBondContact O-N 3.47Å; D101-F104 VanDerWaalsContact O-N 3.13Å; F104-F106 HydrophobicContact CD1-CB 4.33Å; F104-F106 HydrophobicContact CE1-CB 3.66Å; F104-F106 HydrophobicContact CE1-CD2 4.45Å; F104-F106 HydrophobicContact CZ-CB 4.27Å; F104-F106 HydrophobicContact CZ-CD2 4.29Å; F104-S107 PolarHBondContact O-OG 3.26Å; F104-I110 HydrophobicContact CD1-CD1 3.8Å; F104-I110 HydrophobicContact CE1-CD1 3.46Å; F104-I110 VanDerWaalsContact CE1-CD1 3.46Å; F104-I110 HydrophobicContact CE1-CG1 4.36Å; F104-I110 HydrophobicContact CZ-CD1 4.45Å; F104-N150 PolarHBondContact O-ND2 3.46Å | ||
| 105 | L | 98.1 | Very high | 98.3 | Very high | 78 Ų | 78 | 33.6 Ų | 33.6 | 41% | 0.408 | 17% | 0.168 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -30.6 | -170.5 | 179.4 | 62.1 | 0 | 0 | 0 | 113.2 | V62 E103 K152 | V62-L105 HydrophobicContact CG1-CD2 3.6Å; E103-L105 PolarHBondContact O-N 3.45Å; L105-K152 HydrophobicContact CB-CD 4.48Å; L105-K152 HydrophobicContact CD1-CB 4.21Å; L105-K152 HydrophobicContact CD1-CD 4.09Å |
| 106 | F | 98.4 | Very high | 98.3 | Very high | 18 Ų | 18 | 33.9 Ų | 33.9 | 8% | 0.079 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -105.7 | 23.3 | -170.4 | -58.4 | -79 | 0 | 0 | 0 | 113.4 | V62 V65 K66 Y69 F104 D108 Q109 I110 | V62-F106 HydrophobicContact CG1-CE2 4.46Å; V62-F106 HydrophobicContact CG1-CZ 3.86Å; V65-F106 HydrophobicContact CB-CE2 3.81Å; V65-F106 HydrophobicContact CB-CZ 4.04Å; V65-F106 HydrophobicContact CG1-CD2 3.55Å; V65-F106 HydrophobicContact CG1-CE2 3.22Å; V65-F106 HydrophobicContact CG1-CG 4.38Å; V65-F106 HydrophobicContact CG1-CZ 3.8Å; K66-F106 HydrophobicContact CB-CE1 3.74Å; K66-F106 HydrophobicContact CB-CZ 4.05Å; K66-F106 HydrophobicContact CG-CE1 4.19Å; Y69-F106 HydrophobicContact CD2-CB 3.51Å; Y69-F106 AromaticContact CD2-CD1 3.91Å; Y69-F106 HydrophobicContact CD2-CD1 3.91Å; Y69-F106 AromaticContact CD2-CD2 3.87Å; Y69-F106 HydrophobicContact CD2-CD2 3.87Å; Y69-F106 AromaticContact CD2-CG 3.49Å; Y69-F106 HydrophobicContact CD2-CG 3.49Å; Y69-F106 VanDerWaalsContact CD2-CG 3.49Å; Y69-F106 HydrophobicContact CE2-CB 3.49Å; Y69-F106 VanDerWaalsContact CE2-CB 3.49Å; Y69-F106 AromaticContact CE2-CD2 3.75Å; Y69-F106 HydrophobicContact CE2-CD2 3.75Å; Y69-F106 AromaticContact CE2-CG 3.69Å; Y69-F106 HydrophobicContact CE2-CG 3.69Å; Y69-F106 HydrophobicContact CG-CB 4.08Å; Y69-F106 HydrophobicContact CG-CG 4.35Å; F104-F106 HydrophobicContact CD1-CB 4.33Å; F104-F106 HydrophobicContact CE1-CB 3.66Å; F104-F106 HydrophobicContact CE1-CD2 4.45Å; F104-F106 HydrophobicContact CZ-CB 4.27Å; F104-F106 HydrophobicContact CZ-CD2 4.29Å; F106-D108 VanDerWaalsContact C-N 3.27Å; F106-D108 PolarHBondContact O-N 2.85Å; F106-Q109 VanDerWaalsContact CA-OE1 3.24Å; F106-Q109 PolarHBondContact O-N 2.98Å; F106-Q109 VanDerWaalsContact O-N 3.14Å; F106-Q109 PolarHBondContact O-OE1 2.92Å; F106-I110 WeakPolarHBondContact O-CG1 3.36Å; F106-I110 PolarHBondContact O-N 3.04Å |
| 107 | S | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.8 Ų | 33.8 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -62.3 | -33.6 | -177.3 | -57.2 | 0 | 0 | 0 | 0 | 112.6 | F104 I110 C111 N150 | F104-S107 PolarHBondContact O-OG 3.26Å; S107-I110 WeakPolarHBondContact O-CB 3.5Å; S107-I110 PolarHBondContact O-N 3.36Å; S107-C111 PolarHBondContact O-N 2.96Å; S107-C111 PolarHBondContact O-SG 3.42Å; S107-N150 PolarHBondContact OG-ND2 3.5Å; S107-N150 VanDerWaalsContact OG-ND2 3.08Å |
| 108 | D | 98.6 | Very high | 98.3 | Very high | 50 Ų | 50 | 26.8 Ų | 26.8 | 27% | 0.267 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -63.9 | -41.9 | 174.4 | -78.4 | -30.3 | 0 | 0 | 0 | 111.8 | F106 I110 C111 T112 A153 K154 L155 | F106-D108 VanDerWaalsContact C-N 3.27Å; F106-D108 PolarHBondContact O-N 2.85Å; D108-I110 VanDerWaalsContact C-N 3.33Å; D108-I110 PolarHBondContact O-N 3.18Å; D108-C111 WeakPolarHBondContact O-CB 3.43Å; D108-C111 PolarHBondContact O-N 2.77Å; D108-T112 PolarHBondContact O-N 3.23Å; D108-T112 PolarHBondContact O-OG1 3.23Å; D108-A153 HydrophobicContact CB-CB 4.49Å; D108-A153 WeakPolarHBondContact OD2-CA 3.43Å; D108-K154 PolarHBondContact OD1-N 3.3Å; D108-K154 PolarHBondContact OD2-N 2.93Å; D108-L155 WeakPolarHBondContact OD1-CA 3.41Å; D108-L155 PolarHBondContact OD1-N 3.41Å |
| 109 | Q | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 31 Ų | 31 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -64.9 | -39.2 | 175.8 | -69.5 | 71.4 | 23.2 | 0 | 0 | 111.3 | Y69 I73 F106 C111 T112 I113 | Y69-Q109 HydrophobicContact CD1-CB 4.13Å; Y69-Q109 HydrophobicContact CG-CB 4.16Å; I73-Q109 HydrophobicContact CD1-CB 3.83Å; I73-Q109 HydrophobicContact CD1-CG 3.69Å; F106-Q109 VanDerWaalsContact CA-OE1 3.24Å; F106-Q109 PolarHBondContact O-N 2.98Å; F106-Q109 VanDerWaalsContact O-N 3.14Å; F106-Q109 PolarHBondContact O-OE1 2.92Å; Q109-C111 VanDerWaalsContact C-N 3.34Å; Q109-C111 PolarHBondContact O-N 2.94Å; Q109-T112 PolarHBondContact O-N 3.24Å; Q109-I113 WeakPolarHBondContact O-CD1 3.41Å; Q109-I113 VanDerWaalsContact O-CG1 3.27Å; Q109-I113 WeakPolarHBondContact O-CG1 3.31Å; Q109-I113 PolarHBondContact O-N 3.13Å |
| 110 | I | 98.9 | Very high | 98.2 | Very high | 0 Ų | 0 | 34.4 Ų | 34.4 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.1 | -46.6 | 173 | -66.5 | 176.5 | 0 | 0 | 0 | 110.6 | Y69 L95 N98 L99 F104 F106 S107 D108 T112 I113 L114 | Y69-I110 HydrophobicContact CE1-CD1 4.38Å; Y69-I110 HydrophobicContact CE1-CG1 3.75Å; L95-I110 HydrophobicContact CB-CG2 3.99Å; L95-I110 HydrophobicContact CD2-CD1 4.41Å; L95-I110 HydrophobicContact CD2-CG1 3.89Å; N98-I110 HydrophobicContact CB-CD1 3.59Å; L99-I110 HydrophobicContact CB-CG2 4.11Å; L99-I110 HydrophobicContact CD1-CG2 4.26Å; F104-I110 HydrophobicContact CD1-CD1 3.8Å; F104-I110 HydrophobicContact CE1-CD1 3.46Å; F104-I110 VanDerWaalsContact CE1-CD1 3.46Å; F104-I110 HydrophobicContact CE1-CG1 4.36Å; F104-I110 HydrophobicContact CZ-CD1 4.45Å; F106-I110 WeakPolarHBondContact O-CG1 3.36Å; F106-I110 PolarHBondContact O-N 3.04Å; S107-I110 WeakPolarHBondContact O-CB 3.5Å; S107-I110 PolarHBondContact O-N 3.36Å; D108-I110 VanDerWaalsContact C-N 3.33Å; D108-I110 PolarHBondContact O-N 3.18Å; I110-T112 VanDerWaalsContact C-N 3.3Å; I110-T112 PolarHBondContact O-N 3.38Å; I110-I113 PolarHBondContact O-N 3.47Å; I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.13Å; I110-L114 WeakPolarHBondContact O-CG 3.43Å; I110-L114 PolarHBondContact O-N 3.16Å |
| 111 | C | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 34.7 Ų | 34.7 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -44.1 | 177.9 | -64.1 | 0 | 0 | 0 | 0 | 111.5 | S107 D108 Q109 L114 S115 L158 | S107-C111 PolarHBondContact O-N 2.96Å; S107-C111 PolarHBondContact O-SG 3.42Å; D108-C111 WeakPolarHBondContact O-CB 3.43Å; D108-C111 PolarHBondContact O-N 2.77Å; Q109-C111 VanDerWaalsContact C-N 3.34Å; Q109-C111 PolarHBondContact O-N 2.94Å; C111-L114 PolarHBondContact O-N 2.95Å; C111-S115 VanDerWaalsContact O-CB 3.32Å; C111-S115 WeakPolarHBondContact O-CB 3.44Å; C111-S115 PolarHBondContact O-N 3.47Å; C111-L158 HydrophobicContact CB-CD2 4.22Å; C111-L158 HydrophobicContact CB-CG 4.44Å; C111-L158 VanDerWaalsContact SG-CD2 3.51Å; C111-L158 VanDerWaalsContact SG-CG 3.57Å |
| 112 | T | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 37.9 Ų | 37.9 | 15% | 0.147 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -62.6 | -46.1 | 176.7 | -56.7 | 0 | 0 | 0 | 0 | 112 | I73 D108 Q109 I110 S115 N116 Y157 | I73-T112 HydrophobicContact CD1-CG2 4.36Å; I73-T112 HydrophobicContact CG1-CG2 4.15Å; I73-T112 HydrophobicContact CG2-CG2 4.01Å; D108-T112 PolarHBondContact O-N 3.23Å; D108-T112 PolarHBondContact O-OG1 3.23Å; Q109-T112 PolarHBondContact O-N 3.24Å; I110-T112 VanDerWaalsContact C-N 3.3Å; I110-T112 PolarHBondContact O-N 3.38Å; T112-S115 PolarHBondContact O-N 2.95Å; T112-N116 VanDerWaalsContact O-CG 3.23Å; T112-N116 PolarHBondContact O-N 3.14Å; T112-N116 PolarHBondContact O-OD1 3.24Å; T112-Y157 HydrophobicContact CG2-CD1 4.43Å; T112-Y157 HydrophobicContact CG2-CE1 4.45Å |
| 113 | I | 98.9 | Very high | 98.1 | Very high | 3 Ų | 3 | 35.3 Ų | 35.3 | 2% | 0.015 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.5 | -48.7 | 178.2 | -67.9 | 160.9 | 0 | 0 | 0 | 110.6 | Y69 L72 I73 L95 Q109 I110 S115 N116 L117 | Y69-I113 HydrophobicContact CD1-CD1 3.82Å; Y69-I113 HydrophobicContact CE1-CD1 4.41Å; L72-I113 HydrophobicContact CB-CD1 3.6Å; L72-I113 HydrophobicContact CB-CG1 4.22Å; L72-I113 HydrophobicContact CD1-CD1 4.46Å; I73-I113 HydrophobicContact CG1-CD1 4.21Å; I73-I113 HydrophobicContact CG1-CG1 3.69Å; L95-I113 HydrophobicContact CD1-CG2 3.72Å; Q109-I113 WeakPolarHBondContact O-CD1 3.41Å; Q109-I113 VanDerWaalsContact O-CG1 3.27Å; Q109-I113 WeakPolarHBondContact O-CG1 3.31Å; Q109-I113 PolarHBondContact O-N 3.13Å; I110-I113 PolarHBondContact O-N 3.47Å; I113-S115 VanDerWaalsContact C-N 3.33Å; I113-S115 PolarHBondContact O-N 3.14Å; I113-N116 PolarHBondContact O-N 2.86Å; I113-L117 HydrophobicContact CG2-CD1 3.88Å; I113-L117 HydrophobicContact CG2-CG 4.38Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 3.12Å |
| 114 | L | 98.9 | Very high | 98.2 | Very high | 1 Ų | 1 | 31.3 Ų | 31.3 | 1% | 0.005 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -63.3 | -40.2 | 179.6 | -67.9 | 175.5 | 0 | 0 | 0 | 111.7 | L92 L95 L96 L99 I110 C111 L117 S118 L161 | L92-L114 HydrophobicContact CD2-CD2 3.67Å; L95-L114 HydrophobicContact CB-CD2 4.49Å; L95-L114 HydrophobicContact CD1-CD2 4.4Å; L96-L114 HydrophobicContact CD2-CD1 3.85Å; L99-L114 HydrophobicContact CD2-CD1 4.04Å; I110-L114 HydrophobicContact CG2-CD1 3.75Å; I110-L114 HydrophobicContact CG2-CG 4.13Å; I110-L114 WeakPolarHBondContact O-CG 3.43Å; I110-L114 PolarHBondContact O-N 3.16Å; C111-L114 PolarHBondContact O-N 2.95Å; L114-L117 PolarHBondContact O-N 3.37Å; L114-S118 WeakPolarHBondContact O-CB 3.49Å; L114-S118 PolarHBondContact O-N 3.33Å; L114-S118 VanDerWaalsContact O-N 3.09Å; L114-S118 PolarHBondContact O-OG 2.94Å; L114-S118 VanDerWaalsContact O-OG 3.05Å; L114-L161 HydrophobicContact CB-CD1 4.25Å; L114-L161 HydrophobicContact CB-CD2 3.88Å; L114-L161 HydrophobicContact CD1-CD2 4.2Å |
| 115 | S | 98.8 | Very high | 98.2 | Very high | 4 Ų | 4 | 34.7 Ų | 34.7 | 3% | 0.028 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -62.1 | -42.4 | 174.4 | 173.8 | 0 | 0 | 0 | 0 | 111.9 | C111 T112 I113 S118 R119 P160 N164 | C111-S115 VanDerWaalsContact O-CB 3.32Å; C111-S115 WeakPolarHBondContact O-CB 3.44Å; C111-S115 PolarHBondContact O-N 3.47Å; T112-S115 PolarHBondContact O-N 2.95Å; I113-S115 VanDerWaalsContact C-N 3.33Å; I113-S115 PolarHBondContact O-N 3.14Å; S115-S118 PolarHBondContact O-N 2.84Å; S115-S118 PolarHBondContact O-OG 3.49Å; S115-R119 WeakPolarHBondContact O-CG 3.36Å; S115-P160 WeakPolarHBondContact OG-CB 3.21Å; S115-N164 PolarHBondContact O-ND2 2.89Å |
| 116 | N | 98.8 | Very high | 98.3 | Very high | 7 Ų | 7 | 32.9 Ų | 32.9 | 4% | 0.037 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.3 | -47.1 | 177 | -66.5 | -14.4 | 0 | 0 | 0 | 111.8 | I73 S76 H82 T112 I113 S118 R119 | I73-N116 PolarHBondContact O-ND2 3.26Å; S76-N116 VanDerWaalsContact O-CB 3.22Å; S76-N116 WeakPolarHBondContact O-CB 3.36Å; S76-N116 PolarHBondContact OG-ND2 3.26Å; H82-N116 PolarHBondContact CE1-O 3.31Å; T112-N116 VanDerWaalsContact O-CG 3.23Å; T112-N116 PolarHBondContact O-N 3.14Å; T112-N116 PolarHBondContact O-OD1 3.24Å; I113-N116 PolarHBondContact O-N 2.86Å; N116-S118 PolarHBondContact O-N 3.5Å; N116-R119 WeakPolarHBondContact O-CG 3.44Å; N116-R119 PolarHBondContact O-N 3.32Å; N116-R119 VanDerWaalsContact OD1-CZ 3.26Å; N116-R119 PolarHBondContact OD1-NH2 2.99Å |
| 117 | L | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 32.1 Ų | 32.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -63.3 | -25.4 | -179.9 | -67.9 | 175.1 | 0 | 0 | 0 | 113 | H82 L85 V86 V91 L92 I113 L114 T123 V127 | H82-L117 HydrophobicContact CB-CD2 4.38Å; L85-L117 HydrophobicContact CD1-CD2 4.15Å; V86-L117 HydrophobicContact CG1-CD1 4.26Å; V86-L117 HydrophobicContact CG1-CD2 4.34Å; V91-L117 HydrophobicContact CG2-CD1 4.16Å; L92-L117 HydrophobicContact CD2-CD1 3.84Å; I113-L117 HydrophobicContact CG2-CD1 3.88Å; I113-L117 HydrophobicContact CG2-CG 4.38Å; I113-L117 WeakPolarHBondContact O-CG 3.21Å; I113-L117 PolarHBondContact O-N 3.12Å; L114-L117 PolarHBondContact O-N 3.37Å; L117-T123 HydrophobicContact CB-CG2 4.27Å; L117-T123 WeakPolarHBondContact O-CB 3.42Å; L117-T123 WeakPolarHBondContact O-CG2 3.5Å; L117-V127 HydrophobicContact CB-CG2 3.88Å |
| 118 | S | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -90 | -2.4 | -178.2 | 63.8 | 0 | 0 | 0 | 0 | 114.9 | L114 S115 N116 H120 C124 L161 N164 Q167 | L114-S118 WeakPolarHBondContact O-CB 3.49Å; L114-S118 PolarHBondContact O-N 3.33Å; L114-S118 VanDerWaalsContact O-N 3.09Å; L114-S118 PolarHBondContact O-OG 2.94Å; L114-S118 VanDerWaalsContact O-OG 3.05Å; S115-S118 PolarHBondContact O-N 2.84Å; S115-S118 PolarHBondContact O-OG 3.49Å; N116-S118 PolarHBondContact O-N 3.5Å; S118-H120 PolarHBondContact O-N 3.07Å; S118-C124 VanDerWaalsContact O-CB 3.26Å; S118-C124 WeakPolarHBondContact O-CB 3.24Å; S118-C124 PolarHBondContact O-SG 3.22Å; S118-L161 WeakPolarHBondContact OG-CD1 3.45Å; S118-N164 WeakPolarHBondContact O-CB 3.4Å; S118-N164 WeakPolarHBondContact OG-CB 3.44Å; S118-N164 PolarHBondContact OG-ND2 3.05Å; S118-Q167 PolarHBondContact O-NE2 3.35Å; S118-Q167 VanDerWaalsContact O-NE2 3.09Å |
| 119 | R | 97.7 | Very high | 98.3 | Very high | 120 Ų | 120 | 36.2 Ų | 36.2 | 45% | 0.453 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -63 | -37.5 | -176.3 | -69.1 | 177.5 | -173.6 | 173 | -1.6 | 114.1 | S115 N116 | S115-R119 WeakPolarHBondContact O-CG 3.36Å; N116-R119 WeakPolarHBondContact O-CG 3.44Å; N116-R119 PolarHBondContact O-N 3.32Å; N116-R119 VanDerWaalsContact OD1-CZ 3.26Å; N116-R119 PolarHBondContact OD1-NH2 2.99Å |
| 120 | H | 96.9 | Very high | 98.3 | Very high | 71 Ų | 71 | 35.2 Ų | 35.2 | 33% | 0.329 | 16% | 0.162 | S | C | . | . | S | Bend | trans | -104.6 | 132.5 | -174.6 | -60.5 | -82.2 | 0 | 0 | 0 | 111 | E79 H82 S118 K122 T123 C124 | E79-H120 HydrophobicContact CG-CB 4.5Å; E79-H120 IonicContact OE1-CD2 3.57Å; E79-H120 IonicContact OE1-CG 2.9Å; E79-H120 IonicContact OE1-ND1 3.84Å; E79-H120 IonicContact OE2-CE1 2.86Å; E79-H120 PolarHBondContact OE2-CE1 2.77Å; E79-H120 IonicContact OE2-CG 2.83Å; E79-H120 IonicContact OE2-ND1 3.74Å; E79-H120 IonicContact OE2-NE2 3.32Å; H82-H120 AromaticContact CE1-CD2 4Å; S118-H120 PolarHBondContact O-N 3.07Å; H120-K122 VanDerWaalsContact C-N 3.31Å; H120-K122 PolarHBondContact O-N 3.42Å; H120-K122 VanDerWaalsContact O-N 3.11Å; H120-T123 PolarHBondContact O-N 3Å; H120-C124 WeakPolarHBondContact O-CB 3.36Å; H120-C124 PolarHBondContact O-N 3.13Å |
| 121 | D | 95.7 | Very high | 98.3 | Very high | 70 Ų | 70 | 35.3 Ų | 35.3 | 37% | 0.374 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -43 | -51.9 | -173.6 | 177.2 | 90.9 | 0 | 0 | 0 | 113.2 | T123 C124 R125 | D121-T123 PolarHBondContact O-N 3.09Å; D121-C124 WeakPolarHBondContact O-CB 3.41Å; D121-C124 PolarHBondContact O-N 3.07Å; D121-R125 WeakPolarHBondContact O-CG 3.45Å; D121-R125 PolarHBondContact O-N 2.86Å; D121-R125 IonicContact OD1-CZ 2.72Å; D121-R125 IonicContact OD1-NE 3.83Å; D121-R125 PolarHBondContact OD1-NE 3.19Å; D121-R125 IonicContact OD1-NH2 3.17Å; D121-R125 PolarHBondContact OD1-NH2 3.45Å; D121-R125 IonicContact OD2-CZ 3.02Å; D121-R125 IonicContact OD2-NE 2.79Å; D121-R125 PolarHBondContact OD2-NE 3.44Å; D121-R125 IonicContact OD2-NH2 3.78Å |
| 122 | K | 96 | Very high | 98.2 | Very high | 135 Ų | 135 | 38.6 Ų | 38.6 | 59% | 0.587 | 18% | 0.178 | S | C | * | . | H | α-helix | trans | -56.8 | -48.7 | -177.7 | -178.1 | 179.8 | 176.2 | -178.1 | 0 | 112.8 | H120 | H120-K122 VanDerWaalsContact C-N 3.31Å; H120-K122 PolarHBondContact O-N 3.42Å; H120-K122 VanDerWaalsContact O-N 3.11Å |
| 123 | T | 98.1 | Very high | 98.2 | Very high | 3 Ų | 3 | 43.3 Ų | 43.3 | 2% | 0.018 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -77.3 | -33.4 | -178.7 | -50.6 | 0 | 0 | 0 | 0 | 110.4 | H82 V86 L117 H120 D121 R125 T126 V127 | H82-T123 HydrophobicContact CB-CG2 3.84Å; H82-T123 WeakPolarHBondContact CB-OG1 3.35Å; H82-T123 PolarHBondContact ND1-OG1 3.42Å; H82-T123 VanDerWaalsContact ND1-OG1 3.14Å; V86-T123 HydrophobicContact CG1-CG2 4.07Å; L117-T123 HydrophobicContact CB-CG2 4.27Å; L117-T123 WeakPolarHBondContact O-CB 3.42Å; L117-T123 WeakPolarHBondContact O-CG2 3.5Å; H120-T123 PolarHBondContact O-N 3Å; D121-T123 PolarHBondContact O-N 3.09Å; T123-R125 VanDerWaalsContact C-N 3.3Å; T123-R125 PolarHBondContact O-N 3.27Å; T123-T126 WeakPolarHBondContact O-CB 3.5Å; T123-T126 PolarHBondContact O-N 2.79Å; T123-T126 VanDerWaalsContact O-N 3.11Å; T123-V127 HydrophobicContact CG2-CG2 4.37Å; T123-V127 WeakPolarHBondContact O-CG2 3.31Å; T123-V127 PolarHBondContact O-N 3.41Å |
| 124 | C | 98.6 | Very high | 98.1 | Very high | 0 Ų | 0 | 47 Ų | 47 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -56.5 | -42.9 | 174.8 | -163.5 | 0 | 0 | 0 | 0 | 112.1 | S118 H120 D121 T126 V127 F128 N164 Q167 | S118-C124 VanDerWaalsContact O-CB 3.26Å; S118-C124 WeakPolarHBondContact O-CB 3.24Å; S118-C124 PolarHBondContact O-SG 3.22Å; H120-C124 WeakPolarHBondContact O-CB 3.36Å; H120-C124 PolarHBondContact O-N 3.13Å; D121-C124 WeakPolarHBondContact O-CB 3.41Å; D121-C124 PolarHBondContact O-N 3.07Å; C124-T126 VanDerWaalsContact C-N 3.34Å; C124-T126 PolarHBondContact O-N 3.11Å; C124-V127 PolarHBondContact O-N 2.91Å; C124-F128 WeakPolarHBondContact O-CB 3.45Å; C124-F128 PolarHBondContact O-N 3.37Å; C124-N164 PolarHBondContact SG-O 3.44Å; C124-N164 VanDerWaalsContact SG-O 3.36Å; C124-Q167 PolarHBondContact SG-NE2 3Å |
| 125 | R | 98.5 | Very high | 98 | Very high | 103 Ų | 103 | 47.7 Ų | 47.7 | 39% | 0.389 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -58.4 | -43.6 | 174.9 | -70.8 | 176.7 | -169.6 | -74.4 | -10.7 | 112.4 | D121 T123 F128 Q129 L168 E170 | D121-R125 WeakPolarHBondContact O-CG 3.45Å; D121-R125 PolarHBondContact O-N 2.86Å; D121-R125 IonicContact OD1-CZ 2.72Å; D121-R125 IonicContact OD1-NE 3.83Å; D121-R125 PolarHBondContact OD1-NE 3.19Å; D121-R125 IonicContact OD1-NH2 3.17Å; D121-R125 PolarHBondContact OD1-NH2 3.45Å; D121-R125 IonicContact OD2-CZ 3.02Å; D121-R125 IonicContact OD2-NE 2.79Å; D121-R125 PolarHBondContact OD2-NE 3.44Å; D121-R125 IonicContact OD2-NH2 3.78Å; T123-R125 VanDerWaalsContact C-N 3.3Å; T123-R125 PolarHBondContact O-N 3.27Å; R125-F128 PolarHBondContact O-N 2.96Å; R125-Q129 WeakPolarHBondContact O-CB 3.22Å; R125-Q129 PolarHBondContact O-N 3.33Å; R125-L168 HydrophobicContact CG-CD1 4.13Å; R125-L168 HydrophobicContact CG-CD2 3.7Å; R125-E170 IonicContact NH1-OE1 3.35Å |
| 126 | T | 98.3 | Very high | 97.9 | Very high | 40 Ų | 40 | 48.1 Ų | 48.1 | 25% | 0.245 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.2 | -45.6 | 175.4 | -53.4 | 0 | 0 | 0 | 0 | 111.7 | V86 L92 T123 C124 F128 Q129 V130 | V86-T126 HydrophobicContact CB-CG2 4.22Å; V86-T126 HydrophobicContact CG2-CG2 4.04Å; L92-T126 HydrophobicContact CD1-CG2 4.19Å; T123-T126 WeakPolarHBondContact O-CB 3.5Å; T123-T126 PolarHBondContact O-N 2.79Å; T123-T126 VanDerWaalsContact O-N 3.11Å; C124-T126 VanDerWaalsContact C-N 3.34Å; C124-T126 PolarHBondContact O-N 3.11Å; T126-F128 VanDerWaalsContact C-N 3.32Å; T126-F128 PolarHBondContact O-N 3.26Å; T126-Q129 PolarHBondContact O-N 3.36Å; T126-V130 WeakPolarHBondContact O-CG2 3.18Å; T126-V130 PolarHBondContact O-N 3.23Å |
| 127 | V | 98.7 | Very high | 97.8 | Very high | 2 Ų | 2 | 48 Ų | 48 | 1% | 0.012 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -58.1 | -46.5 | 175.9 | 174 | 0 | 0 | 0 | 0 | 110.6 | L92 L117 T123 C124 V130 L131 L161 L165 | L92-V127 HydrophobicContact CD1-CG2 4.12Å; L92-V127 HydrophobicContact CD2-CG2 3.99Å; L117-V127 HydrophobicContact CB-CG2 3.88Å; T123-V127 HydrophobicContact CG2-CG2 4.37Å; T123-V127 WeakPolarHBondContact O-CG2 3.31Å; T123-V127 PolarHBondContact O-N 3.41Å; C124-V127 PolarHBondContact O-N 2.91Å; V127-V130 PolarHBondContact O-N 2.98Å; V127-L131 WeakPolarHBondContact O-CB 3.23Å; V127-L131 PolarHBondContact O-N 3.2Å; V127-L161 HydrophobicContact CG1-CD1 4.38Å; V127-L165 HydrophobicContact CG1-CD2 4.34Å |
| 128 | F | 98.7 | Very high | 97.7 | Very high | 21 Ų | 21 | 48.4 Ų | 48.4 | 9% | 0.092 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -64.3 | -42.9 | 180 | -177.7 | -113.1 | 0 | 0 | 0 | 112.3 | C124 R125 T126 L131 Q132 L137 L165 L168 E170 A171 L174 | C124-F128 WeakPolarHBondContact O-CB 3.45Å; C124-F128 PolarHBondContact O-N 3.37Å; R125-F128 PolarHBondContact O-N 2.96Å; T126-F128 VanDerWaalsContact C-N 3.32Å; T126-F128 PolarHBondContact O-N 3.26Å; F128-L131 WeakPolarHBondContact O-CB 3.46Å; F128-L131 PolarHBondContact O-N 3.35Å; F128-Q132 HydrophobicContact CE1-CG 4.24Å; F128-Q132 HydrophobicContact CE2-CG 4.21Å; F128-Q132 VanDerWaalsContact CE2-NE2 3.29Å; F128-Q132 HydrophobicContact CZ-CG 4.04Å; F128-Q132 WeakPolarHBondContact O-CG 3.39Å; F128-Q132 PolarHBondContact O-N 3.27Å; F128-L137 HydrophobicContact CE2-CD2 4.35Å; F128-L165 HydrophobicContact CB-CD2 3.91Å; F128-L165 HydrophobicContact CD2-CD2 4.09Å; F128-L165 HydrophobicContact CG-CD2 4.47Å; F128-L168 HydrophobicContact CB-CD1 3.76Å; F128-L168 HydrophobicContact CD1-CD1 4.2Å; F128-L168 HydrophobicContact CG-CD1 4.05Å; F128-E170 HydrophobicContact CE1-CB 3.78Å; F128-E170 HydrophobicContact CZ-CB 4.3Å; F128-A171 HydrophobicContact CD2-CB 4.17Å; F128-A171 HydrophobicContact CE2-CB 3.67Å; F128-A171 HydrophobicContact CZ-CB 3.98Å; F128-L174 HydrophobicContact CE2-CD1 4.24Å; F128-L174 HydrophobicContact CZ-CD1 3.73Å |
| 129 | Q | 98.5 | Very high | 97.7 | Very high | 114 Ų | 114 | 52.4 Ų | 52.4 | 53% | 0.533 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -59 | -53.6 | 176.4 | -176.4 | -173.9 | -16.8 | 0 | 0 | 111.1 | R125 T126 L131 Q132 E133 | R125-Q129 WeakPolarHBondContact O-CB 3.22Å; R125-Q129 PolarHBondContact O-N 3.33Å; T126-Q129 PolarHBondContact O-N 3.36Å; Q129-L131 VanDerWaalsContact C-N 3.28Å; Q129-L131 PolarHBondContact O-N 3.45Å; Q129-Q132 PolarHBondContact O-N 3.42Å; Q129-Q132 VanDerWaalsContact O-N 3.16Å; Q129-E133 PolarHBondContact NE2-OE1 2.85Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.12Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 3.15Å; Q129-E133 VanDerWaalsContact O-N 3.13Å |
| 130 | V | 98.6 | Very high | 97.7 | Very high | 22 Ų | 22 | 46.7 Ų | 46.7 | 13% | 0.133 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -65.1 | -35.3 | 179.8 | -176 | 0 | 0 | 0 | 0 | 110.9 | L92 P93 L96 T126 V127 Q132 E133 Q134 | L92-V130 HydrophobicContact CB-CB 4.17Å; L92-V130 HydrophobicContact CB-CG1 3.8Å; L92-V130 HydrophobicContact CB-CG2 4.43Å; L92-V130 HydrophobicContact CD1-CB 4.19Å; L92-V130 HydrophobicContact CD1-CG2 3.99Å; P93-V130 HydrophobicContact CG-CG1 4.01Å; L96-V130 HydrophobicContact CD1-CB 4.44Å; L96-V130 HydrophobicContact CD1-CG1 3.92Å; T126-V130 WeakPolarHBondContact O-CG2 3.18Å; T126-V130 PolarHBondContact O-N 3.23Å; V127-V130 PolarHBondContact O-N 2.98Å; V130-Q132 PolarHBondContact O-N 2.85Å; V130-E133 PolarHBondContact O-N 2.86Å; V130-Q134 HydrophobicContact CG1-CG 3.77Å; V130-Q134 WeakPolarHBondContact O-CB 3.48Å; V130-Q134 VanDerWaalsContact O-CG 3.24Å; V130-Q134 WeakPolarHBondContact O-CG 3.44Å; V130-Q134 PolarHBondContact O-N 2.94Å |
| 131 | L | 98.6 | Very high | 97.8 | Very high | 2 Ų | 2 | 43.3 Ų | 43.3 | 1% | 0.01 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -57.2 | -48.4 | 173 | 176 | 70.9 | 0 | 0 | 0 | 111.2 | L96 V127 F128 Q129 E133 Q134 L135 G136 L137 L140 L165 | L96-L131 HydrophobicContact CD1-CB 4.41Å; L96-L131 HydrophobicContact CD2-CD1 3.65Å; V127-L131 WeakPolarHBondContact O-CB 3.23Å; V127-L131 PolarHBondContact O-N 3.2Å; F128-L131 WeakPolarHBondContact O-CB 3.46Å; F128-L131 PolarHBondContact O-N 3.35Å; Q129-L131 VanDerWaalsContact C-N 3.28Å; Q129-L131 PolarHBondContact O-N 3.45Å; L131-E133 VanDerWaalsContact C-N 3.29Å; L131-E133 PolarHBondContact O-N 3.42Å; L131-Q134 PolarHBondContact O-N 3.47Å; L131-L135 HydrophobicContact CD1-CB 4.05Å; L131-L135 HydrophobicContact CD1-CD2 3.91Å; L131-L135 HydrophobicContact CD1-CG 4.24Å; L131-L135 PolarHBondContact O-N 2.71Å; L131-G136 PolarHBondContact O-N 2.96Å; L131-L137 HydrophobicContact CD2-CD1 4.28Å; L131-L140 HydrophobicContact CD1-CB 4.39Å; L131-L140 HydrophobicContact CD1-CD1 4.45Å; L131-L140 HydrophobicContact CD1-CD2 4.05Å; L131-L140 HydrophobicContact CD2-CD2 3.83Å; L131-L165 HydrophobicContact CD2-CD1 3.55Å |
| 132 | Q | 98.1 | Very high | 97.9 | Very high | 69 Ų | 69 | 44.5 Ų | 44.5 | 32% | 0.322 | 21% | 0.212 | S | C | . | . | H | α-helix | trans | -62.6 | -36.8 | 178.3 | -67.9 | -48.5 | -60.6 | 0 | 0 | 112.5 | F128 Q129 V130 | F128-Q132 HydrophobicContact CE1-CG 4.24Å; F128-Q132 HydrophobicContact CE2-CG 4.21Å; F128-Q132 VanDerWaalsContact CE2-NE2 3.29Å; F128-Q132 HydrophobicContact CZ-CG 4.04Å; F128-Q132 WeakPolarHBondContact O-CG 3.39Å; F128-Q132 PolarHBondContact O-N 3.27Å; Q129-Q132 PolarHBondContact O-N 3.42Å; Q129-Q132 VanDerWaalsContact O-N 3.16Å; V130-Q132 PolarHBondContact O-N 2.85Å |
| 133 | E | 97.4 | Very high | 98 | Very high | 122 Ų | 122 | 38.3 Ų | 38.3 | 57% | 0.57 | 19% | 0.185 | S | C | * | . | H | α-helix | trans | -71.4 | -34.7 | 179.3 | -68.7 | 172 | -168.2 | 0 | 0 | 113.2 | Q129 V130 L131 | Q129-E133 PolarHBondContact NE2-OE1 2.85Å; Q129-E133 VanDerWaalsContact NE2-OE1 3.12Å; Q129-E133 WeakPolarHBondContact O-CG 3.49Å; Q129-E133 PolarHBondContact O-N 3.15Å; Q129-E133 VanDerWaalsContact O-N 3.13Å; V130-E133 PolarHBondContact O-N 2.86Å; L131-E133 VanDerWaalsContact C-N 3.29Å; L131-E133 PolarHBondContact O-N 3.42Å |
| 134 | Q | 97.2 | Very high | 98 | Very high | 82 Ų | 82 | 38.2 Ų | 38.2 | 38% | 0.383 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -102.7 | -23.5 | -170.2 | -58.5 | -61.3 | -49 | 0 | 0 | 114.9 | P93 L96 Q100 V130 L131 | P93-Q134 HydrophobicContact CB-CG 4.46Å; L96-Q134 HydrophobicContact CB-CB 4.14Å; L96-Q134 HydrophobicContact CD1-CB 4.13Å; L96-Q134 HydrophobicContact CD1-CG 4.35Å; Q100-Q134 PolarHBondContact NE2-O 2.84Å; Q100-Q134 VanDerWaalsContact NE2-O 3.1Å; V130-Q134 HydrophobicContact CG1-CG 3.77Å; V130-Q134 WeakPolarHBondContact O-CB 3.48Å; V130-Q134 VanDerWaalsContact O-CG 3.24Å; V130-Q134 WeakPolarHBondContact O-CG 3.44Å; V130-Q134 PolarHBondContact O-N 2.94Å; L131-Q134 PolarHBondContact O-N 3.47Å |
| 135 | L | 96.5 | Very high | 97.9 | Very high | 14 Ų | 14 | 39.7 Ų | 39.7 | 7% | 0.073 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -147.3 | -46.1 | -170.3 | 175.4 | 57.7 | 0 | 0 | 0 | 113 | L96 Q100 L131 Q139 L140 I143 | L96-L135 HydrophobicContact CD2-CD2 4.45Å; Q100-L135 HydrophobicContact CG-CD1 3.67Å; Q100-L135 HydrophobicContact CG-CD2 4.49Å; L131-L135 HydrophobicContact CD1-CB 4.05Å; L131-L135 HydrophobicContact CD1-CD2 3.91Å; L131-L135 HydrophobicContact CD1-CG 4.24Å; L131-L135 PolarHBondContact O-N 2.71Å; L135-Q139 HydrophobicContact CD1-CB 3.77Å; L135-Q139 HydrophobicContact CD1-CG 3.57Å; L135-Q139 HydrophobicContact CG-CB 4.34Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-OE1 3.25Å; L135-Q139 VanDerWaalsContact O-OE1 3.05Å; L135-L140 HydrophobicContact CD2-CB 4.09Å; L135-L140 HydrophobicContact CD2-CD1 3.76Å; L135-I143 HydrophobicContact CD1-CD1 3.98Å; L135-I143 HydrophobicContact CD2-CD1 4.21Å |
| 136 | G | 97.3 | Very high | 97.8 | Very high | 14 Ų | 14 | 38.1 Ų | 38.1 | 14% | 0.144 | 19% | 0.193 | C | C | . | . | trans | 84.6 | 146.8 | -172.6 | 0 | 0 | 0 | 0 | 0 | 113.3 | L131 A138 Q139 L140 | L131-G136 PolarHBondContact O-N 2.96Å; G136-A138 PolarHBondContact O-N 3.42Å; G136-Q139 PolarHBondContact O-N 3.15Å; G136-L140 PolarHBondContact O-N 3.49Å; G136-L140 VanDerWaalsContact O-N 3.08Å | ||
| 137 | L | 97.9 | Very high | 97.6 | Very high | 4 Ų | 4 | 41.6 Ų | 41.6 | 2% | 0.021 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -66 | -40 | -175.2 | -178 | 61 | 0 | 0 | 0 | 112.6 | F128 L131 Q139 L140 V141 L162 L165 A171 L174 L175 | F128-L137 HydrophobicContact CE2-CD2 4.35Å; L131-L137 HydrophobicContact CD2-CD1 4.28Å; L137-Q139 PolarHBondContact O-N 2.95Å; L137-L140 HydrophobicContact CD1-CD2 4.36Å; L137-L140 WeakPolarHBondContact O-CB 3.28Å; L137-L140 PolarHBondContact O-N 3.01Å; L137-V141 WeakPolarHBondContact O-CG2 3.44Å; L137-V141 PolarHBondContact O-N 3.41Å; L137-L162 HydrophobicContact CD1-CD2 3.7Å; L137-L165 HydrophobicContact CD1-CD1 4.06Å; L137-A171 HydrophobicContact CD2-CB 4.35Å; L137-L174 HydrophobicContact CB-CD1 4.32Å; L137-L174 HydrophobicContact CD2-CB 3.94Å; L137-L174 HydrophobicContact CD2-CD1 4.46Å; L137-L175 HydrophobicContact CD2-CD2 3.71Å; L137-L175 HydrophobicContact CD2-CG 3.73Å; L137-L175 HydrophobicContact CG-CD2 3.92Å; L137-L175 HydrophobicContact CG-CG 4.48Å |
| 138 | A | 96.7 | Very high | 97.4 | Very high | 8 Ų | 8 | 45.9 Ų | 45.9 | 7% | 0.066 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.9 | -38.8 | -179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | G136 L140 V141 E142 V182 | G136-A138 PolarHBondContact O-N 3.42Å; A138-L140 VanDerWaalsContact C-N 3.34Å; A138-V141 WeakPolarHBondContact O-CB 3.41Å; A138-V141 PolarHBondContact O-N 3.16Å; A138-E142 WeakPolarHBondContact O-CG 3.32Å; A138-E142 PolarHBondContact O-N 3.49Å; A138-V182 HydrophobicContact CB-CG2 4.07Å |
| 139 | Q | 97.3 | Very high | 97.4 | Very high | 84 Ų | 84 | 46.9 Ų | 46.9 | 39% | 0.393 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -69.3 | -35.5 | 176.1 | -165.5 | 179.3 | -11.3 | 0 | 0 | 111.1 | L135 G136 L137 V141 E142 I143 | L135-Q139 HydrophobicContact CD1-CB 3.77Å; L135-Q139 HydrophobicContact CD1-CG 3.57Å; L135-Q139 HydrophobicContact CG-CB 4.34Å; L135-Q139 WeakPolarHBondContact O-CB 3.4Å; L135-Q139 PolarHBondContact O-OE1 3.25Å; L135-Q139 VanDerWaalsContact O-OE1 3.05Å; G136-Q139 PolarHBondContact O-N 3.15Å; L137-Q139 PolarHBondContact O-N 2.95Å; Q139-V141 VanDerWaalsContact C-N 3.3Å; Q139-V141 PolarHBondContact O-N 3.42Å; Q139-E142 WeakPolarHBondContact O-CB 3.48Å; Q139-E142 PolarHBondContact O-N 3.28Å; Q139-I143 WeakPolarHBondContact O-CG1 3.49Å; Q139-I143 PolarHBondContact O-N 3.07Å |
| 140 | L | 98.5 | Very high | 97.3 | Very high | 0 Ų | 0 | 41.7 Ų | 41.7 | 0% | 0 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -59.3 | -42.1 | 170.4 | -174 | 70.7 | 0 | 0 | 0 | 111.7 | L99 L131 L135 G136 L137 A138 I143 F144 L158 L161 L162 L165 | L99-L140 HydrophobicContact CD2-CD1 3.89Å; L131-L140 HydrophobicContact CD1-CB 4.39Å; L131-L140 HydrophobicContact CD1-CD1 4.45Å; L131-L140 HydrophobicContact CD1-CD2 4.05Å; L131-L140 HydrophobicContact CD2-CD2 3.83Å; L135-L140 HydrophobicContact CD2-CB 4.09Å; L135-L140 HydrophobicContact CD2-CD1 3.76Å; G136-L140 PolarHBondContact O-N 3.49Å; G136-L140 VanDerWaalsContact O-N 3.08Å; L137-L140 HydrophobicContact CD1-CD2 4.36Å; L137-L140 WeakPolarHBondContact O-CB 3.28Å; L137-L140 PolarHBondContact O-N 3.01Å; A138-L140 VanDerWaalsContact C-N 3.34Å; L140-I143 PolarHBondContact O-N 3.11Å; L140-F144 WeakPolarHBondContact O-CB 3.12Å; L140-F144 PolarHBondContact O-N 3.21Å; L140-L158 HydrophobicContact CD1-CD1 4.32Å; L140-L158 HydrophobicContact CD1-CD2 3.88Å; L140-L161 HydrophobicContact CD2-CD2 3.93Å; L140-L161 HydrophobicContact CD2-CG 4.42Å; L140-L162 HydrophobicContact CD2-CD2 3.97Å; L140-L162 HydrophobicContact CG-CD2 4.5Å; L140-L165 HydrophobicContact CD2-CD1 4.16Å |
| 141 | V | 98.3 | Very high | 97 | Very high | 0 Ų | 0 | 49 Ų | 49 | 0% | 0 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 174.6 | 171 | 0 | 0 | 0 | 0 | 111.4 | L137 A138 Q139 F144 C145 L162 L175 V182 R185 L186 | L137-V141 WeakPolarHBondContact O-CG2 3.44Å; L137-V141 PolarHBondContact O-N 3.41Å; A138-V141 WeakPolarHBondContact O-CB 3.41Å; A138-V141 PolarHBondContact O-N 3.16Å; Q139-V141 VanDerWaalsContact C-N 3.3Å; Q139-V141 PolarHBondContact O-N 3.42Å; V141-F144 WeakPolarHBondContact O-CB 3.35Å; V141-F144 PolarHBondContact O-N 3.33Å; V141-C145 WeakPolarHBondContact O-CB 3.38Å; V141-C145 PolarHBondContact O-N 2.87Å; V141-C145 PolarHBondContact O-SG 3.46Å; V141-L162 HydrophobicContact CG2-CD1 4.28Å; V141-L162 HydrophobicContact CG2-CD2 3.84Å; V141-L175 HydrophobicContact CG2-CD2 3.93Å; V141-V182 HydrophobicContact CB-CG1 3.9Å; V141-V182 HydrophobicContact CG1-CG1 3.85Å; V141-V182 HydrophobicContact CG2-CG1 3.81Å; V141-R185 HydrophobicContact CG1-CB 4.28Å; V141-L186 HydrophobicContact CG1-CD2 3.83Å; V141-L186 HydrophobicContact CG1-CG 4.34Å; V141-L186 HydrophobicContact CG2-CD2 4.48Å |
| 142 | E | 97.3 | Very high | 96.9 | Very high | 96 Ų | 96 | 53.9 Ų | 53.9 | 45% | 0.449 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -62 | -45.3 | 174.2 | -73.7 | 170.9 | -174.7 | 0 | 0 | 112.6 | A138 Q139 F144 C145 N146 R185 | A138-E142 WeakPolarHBondContact O-CG 3.32Å; A138-E142 PolarHBondContact O-N 3.49Å; Q139-E142 WeakPolarHBondContact O-CB 3.48Å; Q139-E142 PolarHBondContact O-N 3.28Å; E142-F144 VanDerWaalsContact C-N 3.29Å; E142-F144 PolarHBondContact O-N 2.95Å; E142-C145 PolarHBondContact O-N 2.83Å; E142-N146 WeakPolarHBondContact O-CB 3.46Å; E142-N146 PolarHBondContact O-N 2.9Å; E142-N146 VanDerWaalsContact O-N 3.07Å; E142-R185 IonicContact OE1-CZ 3.14Å; E142-R185 IonicContact OE1-NH1 3.29Å; E142-R185 PolarHBondContact OE1-NH1 3.09Å; E142-R185 IonicContact OE1-NH2 3.88Å |
| 143 | I | 98.1 | Very high | 96.8 | Very high | 5 Ų | 5 | 51 Ų | 51 | 3% | 0.026 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -59.4 | -44.7 | 174.1 | -69.4 | 173 | 0 | 0 | 0 | 110.1 | Q100 L135 Q139 L140 N146 F149 L155 L158 | Q100-I143 HydrophobicContact CG-CD1 4.37Å; L135-I143 HydrophobicContact CD1-CD1 3.98Å; L135-I143 HydrophobicContact CD2-CD1 4.21Å; Q139-I143 WeakPolarHBondContact O-CG1 3.49Å; Q139-I143 PolarHBondContact O-N 3.07Å; L140-I143 PolarHBondContact O-N 3.11Å; I143-N146 PolarHBondContact O-N 3.45Å; I143-F149 HydrophobicContact CD1-CE1 4.33Å; I143-F149 HydrophobicContact CD1-CE2 4.34Å; I143-F149 HydrophobicContact CD1-CZ 3.9Å; I143-F149 HydrophobicContact CG1-CD2 4.12Å; I143-F149 HydrophobicContact CG1-CE1 4.15Å; I143-F149 HydrophobicContact CG1-CE2 3.72Å; I143-F149 HydrophobicContact CG1-CZ 3.73Å; I143-F149 HydrophobicContact CG2-CD1 3.65Å; I143-F149 HydrophobicContact CG2-CD2 4.48Å; I143-F149 HydrophobicContact CG2-CE1 3.75Å; I143-F149 HydrophobicContact CG2-CG 4.03Å; I143-F149 HydrophobicContact CG2-CZ 4.23Å; I143-L155 HydrophobicContact CG2-CD1 3.7Å; I143-L158 HydrophobicContact CG2-CD1 3.98Å |
| 144 | F | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 51.8 Ų | 51.8 | 0% | 0 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -60.5 | -51.9 | 177.9 | 174 | -106.3 | 0 | 0 | 0 | 111.8 | L140 V141 E142 N146 L158 L162 L186 F189 R198 V202 | L140-F144 WeakPolarHBondContact O-CB 3.12Å; L140-F144 PolarHBondContact O-N 3.21Å; V141-F144 WeakPolarHBondContact O-CB 3.35Å; V141-F144 PolarHBondContact O-N 3.33Å; E142-F144 VanDerWaalsContact C-N 3.29Å; E142-F144 PolarHBondContact O-N 2.95Å; F144-N146 PolarHBondContact O-N 2.93Å; F144-L158 HydrophobicContact CB-CB 4.4Å; F144-L158 HydrophobicContact CB-CD1 4.08Å; F144-L158 HydrophobicContact CD2-CB 3.62Å; F144-L158 HydrophobicContact CD2-CD1 4.48Å; F144-L158 HydrophobicContact CE2-CB 4.31Å; F144-L158 HydrophobicContact CG-CB 4.41Å; F144-L162 HydrophobicContact CB-CD1 4.43Å; F144-L162 HydrophobicContact CD1-CD1 4.05Å; F144-L162 HydrophobicContact CE1-CD1 4.41Å; F144-L162 HydrophobicContact CG-CD1 4.08Å; F144-L186 HydrophobicContact CD1-CD2 3.74Å; F144-L186 HydrophobicContact CE1-CD2 3.8Å; F144-F189 HydrophobicContact CE1-CB 4.39Å; F144-F189 HydrophobicContact CE1-CD1 4.49Å; F144-F189 HydrophobicContact CE1-CD2 4.24Å; F144-F189 HydrophobicContact CE1-CG 4.11Å; F144-R198 VanDerWaalsContact CD2-NH1 3.33Å; F144-R198 HydrophobicContact CE2-CG 3.62Å; F144-R198 VanDerWaalsContact CE2-CZ 3.43Å; F144-R198 VanDerWaalsContact CE2-NH1 3.26Å; F144-R198 HydrophobicContact CZ-CG 3.45Å; F144-R198 VanDerWaalsContact CZ-CG 3.45Å; F144-R198 PolarHBondContact O-NH1 3.35Å; F144-R198 PolarHBondContact O-NH2 2.75Å; F144-R198 VanDerWaalsContact O-NH2 3.1Å; F144-V202 HydrophobicContact CE1-CG2 3.55Å; F144-V202 HydrophobicContact CZ-CG2 3.52Å |
| 145 | C | 97.1 | Very high | 96.8 | Very high | 31 Ų | 31 | 48 Ų | 48 | 21% | 0.209 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -69.8 | -20 | -175.3 | -65.7 | 0 | 0 | 0 | 0 | 113.2 | V141 E142 E147 R185 F189 | V141-C145 WeakPolarHBondContact O-CB 3.38Å; V141-C145 PolarHBondContact O-N 2.87Å; V141-C145 PolarHBondContact O-SG 3.46Å; E142-C145 PolarHBondContact O-N 2.83Å; C145-E147 PolarHBondContact O-N 2.78Å; C145-R185 PolarHBondContact SG-O 2.9Å; C145-F189 HydrophobicContact CB-CE2 3.79Å; C145-F189 HydrophobicContact CB-CZ 4.1Å; C145-F189 WeakPolarHBondContact O-CZ 3.49Å |
| 146 | N | 96.6 | Very high | 96.9 | Very high | 70 Ų | 70 | 49.2 Ų | 49.2 | 37% | 0.374 | 25% | 0.245 | S | C | . | . | trans | -89.6 | 94.4 | 175 | -177.5 | -1.3 | 0 | 0 | 0 | 111.2 | E142 I143 F144 S148 F149 | E142-N146 WeakPolarHBondContact O-CB 3.46Å; E142-N146 PolarHBondContact O-N 2.9Å; E142-N146 VanDerWaalsContact O-N 3.07Å; I143-N146 PolarHBondContact O-N 3.45Å; F144-N146 PolarHBondContact O-N 2.93Å; N146-S148 PolarHBondContact O-N 3.42Å; N146-S148 VanDerWaalsContact O-N 3.1Å; N146-S148 WeakPolarHBondContact OD1-CA 3.4Å; N146-S148 PolarHBondContact OD1-N 3.09Å; N146-S148 PolarHBondContact OD1-OG 3.01Å; N146-F149 HydrophobicContact CB-CB 4.05Å; N146-F149 WeakPolarHBondContact O-CB 3.26Å; N146-F149 PolarHBondContact O-N 3.21Å; N146-F149 PolarHBondContact OD1-N 3.02Å | ||
| 147 | E | 93.3 | Very high | 97 | Very high | 114 Ų | 114 | 53 Ų | 53 | 53% | 0.533 | 26% | 0.256 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | -23.9 | 177.5 | -64.7 | -175.5 | -115.4 | 0 | 0 | 114.2 | C145 F189 Y192 | C145-E147 PolarHBondContact O-N 2.78Å; E147-F189 HydrophobicContact CG-CE1 4.43Å; E147-Y192 HydrophobicContact CG-CE2 4.25Å; E147-Y192 WeakPolarHBondContact OE2-CE2 3.4Å; E147-Y192 VanDerWaalsContact OE2-CZ 3.29Å; E147-Y192 PolarHBondContact OE2-OH 3.11Å |
| 148 | S | 95.3 | Very high | 97 | Very high | 92 Ų | 92 | 52.9 Ų | 52.9 | 64% | 0.643 | 26% | 0.255 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92.6 | 2.9 | 178.3 | 71.3 | 0 | 0 | 0 | 0 | 113.6 | N146 N150 | N146-S148 PolarHBondContact O-N 3.42Å; N146-S148 VanDerWaalsContact O-N 3.1Å; N146-S148 WeakPolarHBondContact OD1-CA 3.4Å; N146-S148 PolarHBondContact OD1-N 3.09Å; N146-S148 PolarHBondContact OD1-OG 3.01Å; S148-N150 VanDerWaalsContact C-N 3.31Å; S148-N150 PolarHBondContact O-N 3.4Å |
| 149 | F | 97.6 | Very high | 97.1 | Very high | 42 Ų | 42 | 52.5 Ų | 52.5 | 18% | 0.184 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -55.4 | -45.6 | -175.4 | 178.3 | -96.4 | 0 | 0 | 0 | 112 | L99 Q100 P102 I143 N146 L155 | L99-F149 WeakPolarHBondContact O-CE1 3.46Å; Q100-F149 WeakPolarHBondContact O-CZ 3.43Å; P102-F149 WeakPolarHBondContact CA-O 3.49Å; P102-F149 WeakPolarHBondContact CB-O 3.4Å; I143-F149 HydrophobicContact CD1-CE1 4.33Å; I143-F149 HydrophobicContact CD1-CE2 4.34Å; I143-F149 HydrophobicContact CD1-CZ 3.9Å; I143-F149 HydrophobicContact CG1-CD2 4.12Å; I143-F149 HydrophobicContact CG1-CE1 4.15Å; I143-F149 HydrophobicContact CG1-CE2 3.72Å; I143-F149 HydrophobicContact CG1-CZ 3.73Å; I143-F149 HydrophobicContact CG2-CD1 3.65Å; I143-F149 HydrophobicContact CG2-CD2 4.48Å; I143-F149 HydrophobicContact CG2-CE1 3.75Å; I143-F149 HydrophobicContact CG2-CG 4.03Å; I143-F149 HydrophobicContact CG2-CZ 4.23Å; N146-F149 HydrophobicContact CB-CB 4.05Å; N146-F149 WeakPolarHBondContact O-CB 3.26Å; N146-F149 PolarHBondContact O-N 3.21Å; N146-F149 PolarHBondContact OD1-N 3.02Å; F149-L155 HydrophobicContact CD1-CD1 3.89Å |
| 150 | N | 97.3 | Very high | 97.2 | Very high | 5 Ų | 5 | 49.8 Ų | 49.8 | 3% | 0.027 | 24% | 0.242 | C | C | . | . | trans | -127.2 | 122.8 | 177.8 | -174.8 | -46.5 | 0 | 0 | 0 | 110.9 | D101 P102 F104 S107 S148 K152 A153 | D101-N150 PolarHBondContact O-ND2 3.2Å; D101-N150 VanDerWaalsContact O-ND2 3.16Å; P102-N150 WeakPolarHBondContact O-CA 3.36Å; P102-N150 WeakPolarHBondContact O-CB 3.42Å; P102-N150 PolarHBondContact O-ND2 2.97Å; P102-N150 PolarHBondContact O-OD1 2.99Å; F104-N150 PolarHBondContact O-ND2 3.46Å; S107-N150 PolarHBondContact OG-ND2 3.5Å; S107-N150 VanDerWaalsContact OG-ND2 3.08Å; S148-N150 VanDerWaalsContact C-N 3.31Å; S148-N150 PolarHBondContact O-N 3.4Å; N150-K152 PolarHBondContact O-N 2.68Å; N150-K152 WeakPolarHBondContact OD1-CA 3.37Å; N150-K152 WeakPolarHBondContact OD1-CB 3.45Å; N150-K152 PolarHBondContact OD1-N 3.44Å; N150-A153 HydrophobicContact CB-CB 4.33Å; N150-A153 PolarHBondContact OD1-N 3.49Å; N150-A153 VanDerWaalsContact OD1-N 3.13Å | ||
| 151 | K | 93.3 | Very high | 97.2 | Very high | 175 Ų | 175 | 49.9 Ų | 49.9 | 76% | 0.761 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.4 | -175.6 | -66.8 | 175.9 | -176 | 164.5 | 0 | 113.8 | ||
| 152 | K | 95.6 | Very high | 97.2 | Very high | 105 Ų | 105 | 50 Ų | 50 | 46% | 0.457 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -108.3 | -4.6 | -175.4 | -58.4 | 177.5 | -167.1 | 154.2 | 0 | 112.9 | E103 L105 N150 | E103-K152 WeakPolarHBondContact O-CD 3.5Å; E103-K152 PolarHBondContact O-NZ 2.88Å; E103-K152 WeakPolarHBondContact OE2-CE 3.27Å; E103-K152 IonicContact OE2-NZ 2.61Å; E103-K152 PolarHBondContact OE2-NZ 3.43Å; E103-K152 VanDerWaalsContact OE2-NZ 3.09Å; L105-K152 HydrophobicContact CB-CD 4.48Å; L105-K152 HydrophobicContact CD1-CB 4.21Å; L105-K152 HydrophobicContact CD1-CD 4.09Å; N150-K152 PolarHBondContact O-N 2.68Å; N150-K152 WeakPolarHBondContact OD1-CA 3.37Å; N150-K152 WeakPolarHBondContact OD1-CB 3.45Å; N150-K152 PolarHBondContact OD1-N 3.44Å |
| 153 | A | 96.6 | Very high | 97.3 | Very high | 7 Ų | 7 | 46.5 Ų | 46.5 | 6% | 0.058 | 23% | 0.229 | C | C | . | . | trans | -140 | 161.1 | -177.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | D108 N150 L155 | D108-A153 HydrophobicContact CB-CB 4.49Å; D108-A153 WeakPolarHBondContact OD2-CA 3.43Å; N150-A153 HydrophobicContact CB-CB 4.33Å; N150-A153 PolarHBondContact OD1-N 3.49Å; N150-A153 VanDerWaalsContact OD1-N 3.13Å; A153-L155 HydrophobicContact CB-CD2 3.84Å; A153-L155 HydrophobicContact CB-CG 4.47Å | ||
| 154 | K | 96.1 | Very high | 97.3 | Very high | 139 Ų | 139 | 47.9 Ų | 47.9 | 60% | 0.604 | 24% | 0.237 | S | C | * | . | trans | -109 | -19.9 | 179.7 | -60.8 | -63.5 | -175.7 | -179.8 | 0 | 114 | D108 H156 R198 | D108-K154 PolarHBondContact OD1-N 3.3Å; D108-K154 PolarHBondContact OD2-N 2.93Å; K154-H156 VanDerWaalsContact CB-CD2 3.45Å; K154-H156 WeakPolarHBondContact CB-CD2 3.37Å; K154-H156 VanDerWaalsContact CB-NE2 3.3Å; K154-H156 WeakPolarHBondContact CB-NE2 3.37Å; K154-H156 PolarHBondContact O-N 3.47Å; K154-H156 VanDerWaalsContact O-N 3.16Å; K154-R198 PolarHBondContact O-NH2 3.24Å | ||
| 155 | L | 98.1 | Very high | 97.3 | Very high | 4 Ų | 4 | 48 Ų | 48 | 2% | 0.021 | 24% | 0.237 | C | C | . | . | trans | 59.6 | 24.9 | 175.6 | -45.4 | 179.4 | 0 | 0 | 0 | 113.5 | L99 D108 I143 F149 A153 Y157 L158 | L99-L155 HydrophobicContact CD1-CD2 4.24Å; D108-L155 WeakPolarHBondContact OD1-CA 3.41Å; D108-L155 PolarHBondContact OD1-N 3.41Å; I143-L155 HydrophobicContact CG2-CD1 3.7Å; F149-L155 HydrophobicContact CD1-CD1 3.89Å; A153-L155 HydrophobicContact CB-CD2 3.84Å; A153-L155 HydrophobicContact CB-CG 4.47Å; L155-Y157 PolarHBondContact O-N 3.07Å; L155-L158 HydrophobicContact CB-CD1 3.9Å; L155-L158 HydrophobicContact CB-CG 4.13Å; L155-L158 HydrophobicContact CD1-CD1 4.38Å; L155-L158 WeakPolarHBondContact O-CB 3.31Å; L155-L158 PolarHBondContact O-N 3.49Å; L155-L158 VanDerWaalsContact O-N 3.12Å | ||
| 156 | H | 98.3 | Very high | 97.4 | Very high | 38 Ų | 38 | 46.5 Ų | 46.5 | 18% | 0.176 | 23% | 0.227 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -35.4 | -177.7 | -63.8 | -50.2 | 0 | 0 | 0 | 112.5 | K154 L158 G159 P160 Y192 S195 V197 R198 | K154-H156 VanDerWaalsContact CB-CD2 3.45Å; K154-H156 WeakPolarHBondContact CB-CD2 3.37Å; K154-H156 VanDerWaalsContact CB-NE2 3.3Å; K154-H156 WeakPolarHBondContact CB-NE2 3.37Å; K154-H156 PolarHBondContact O-N 3.47Å; K154-H156 VanDerWaalsContact O-N 3.16Å; H156-L158 PolarHBondContact O-N 3.37Å; H156-G159 PolarHBondContact O-N 3.1Å; H156-P160 WeakPolarHBondContact O-CD 3.39Å; H156-Y192 AromaticContact CE1-CE1 3.85Å; H156-S195 VanDerWaalsContact CE1-CB 3.43Å; H156-S195 WeakPolarHBondContact CE1-CB 3.49Å; H156-S195 VanDerWaalsContact CG-OG 3.28Å; H156-S195 VanDerWaalsContact ND1-CB 3.29Å; H156-S195 WeakPolarHBondContact ND1-CB 3.35Å; H156-S195 PolarHBondContact ND1-OG 3.31Å; H156-V197 HydrophobicContact CB-CB 4.46Å; H156-V197 HydrophobicContact CB-CG1 4.46Å; H156-R198 PolarHBondContact ND1-NE 3.49Å |
| 157 | Y | 98.6 | Very high | 97.4 | Very high | 95 Ų | 95 | 46.5 Ų | 46.5 | 37% | 0.373 | 23% | 0.225 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.4 | -5.8 | -179.7 | -88.8 | -99.8 | 0 | 0 | 0 | 114.5 | T112 L155 G159 P160 L161 V197 | T112-Y157 HydrophobicContact CG2-CD1 4.43Å; T112-Y157 HydrophobicContact CG2-CE1 4.45Å; L155-Y157 PolarHBondContact O-N 3.07Å; Y157-G159 PolarHBondContact O-N 3.14Å; Y157-P160 HydrophobicContact CD1-CG 4.45Å; Y157-L161 PolarHBondContact O-N 2.92Å; Y157-V197 HydrophobicContact CD2-CG1 4.13Å; Y157-V197 HydrophobicContact CE2-CG1 4.15Å; Y157-V197 HydrophobicContact CE2-CG2 4.49Å; Y157-V197 HydrophobicContact CG-CG1 4.4Å |
| 158 | L | 98.8 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -64.6 | -26.9 | 164.7 | -67.6 | -173.4 | 0 | 0 | 0 | 112 | L99 C111 L140 I143 F144 L155 H156 L161 L162 | L99-L158 HydrophobicContact CD2-CD2 4.11Å; C111-L158 HydrophobicContact CB-CD2 4.22Å; C111-L158 HydrophobicContact CB-CG 4.44Å; C111-L158 VanDerWaalsContact SG-CD2 3.51Å; C111-L158 VanDerWaalsContact SG-CG 3.57Å; L140-L158 HydrophobicContact CD1-CD1 4.32Å; L140-L158 HydrophobicContact CD1-CD2 3.88Å; I143-L158 HydrophobicContact CG2-CD1 3.98Å; F144-L158 HydrophobicContact CB-CB 4.4Å; F144-L158 HydrophobicContact CB-CD1 4.08Å; F144-L158 HydrophobicContact CD2-CB 3.62Å; F144-L158 HydrophobicContact CD2-CD1 4.48Å; F144-L158 HydrophobicContact CE2-CB 4.31Å; F144-L158 HydrophobicContact CG-CB 4.41Å; L155-L158 HydrophobicContact CB-CD1 3.9Å; L155-L158 HydrophobicContact CB-CG 4.13Å; L155-L158 HydrophobicContact CD1-CD1 4.38Å; L155-L158 WeakPolarHBondContact O-CB 3.31Å; L155-L158 PolarHBondContact O-N 3.49Å; L155-L158 VanDerWaalsContact O-N 3.12Å; H156-L158 PolarHBondContact O-N 3.37Å; L158-L161 HydrophobicContact CD2-CD2 3.92Å; L158-L161 WeakPolarHBondContact O-CB 2.9Å; L158-L161 PolarHBondContact O-N 3.4Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.98Å |
| 159 | G | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -58.7 | -60.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | H156 Y157 L161 L162 S163 G201 | H156-G159 PolarHBondContact O-N 3.1Å; Y157-G159 PolarHBondContact O-N 3.14Å; G159-L161 VanDerWaalsContact C-N 3.26Å; G159-L161 PolarHBondContact O-N 3.1Å; G159-L162 PolarHBondContact O-N 3.15Å; G159-L162 VanDerWaalsContact O-N 3.1Å; G159-S163 PolarHBondContact O-N 2.72Å; G159-G201 VanDerWaalsContact C-CA 3.42Å; G159-G201 WeakPolarHBondContact O-CA 3.39Å |
| 160 | P | 98.8 | Very high | 97.8 | Very high | 28 Ų | 28 | 42.1 Ų | 42.1 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -55.3 | -36.1 | 172.7 | -30.1 | 36.1 | 0 | 0 | 0 | 114.2 | S115 H156 Y157 S163 N164 V197 | S115-P160 WeakPolarHBondContact OG-CB 3.21Å; H156-P160 WeakPolarHBondContact O-CD 3.39Å; Y157-P160 HydrophobicContact CD1-CG 4.45Å; P160-S163 PolarHBondContact O-N 3.34Å; P160-N164 WeakPolarHBondContact O-CB 3.35Å; P160-N164 PolarHBondContact O-N 3.3Å; P160-N164 PolarHBondContact O-OD1 3.1Å; P160-V197 HydrophobicContact CG-CG1 3.55Å |
| 161 | L | 98.9 | Very high | 97.8 | Very high | 2 Ų | 2 | 41.9 Ų | 41.9 | 1% | 0.01 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -60.1 | -48.5 | 172.6 | 173.4 | 60.4 | 0 | 0 | 0 | 111.5 | L114 S118 V127 L140 Y157 L158 G159 S163 N164 L165 | L114-L161 HydrophobicContact CB-CD1 4.25Å; L114-L161 HydrophobicContact CB-CD2 3.88Å; L114-L161 HydrophobicContact CD1-CD2 4.2Å; S118-L161 WeakPolarHBondContact OG-CD1 3.45Å; V127-L161 HydrophobicContact CG1-CD1 4.38Å; L140-L161 HydrophobicContact CD2-CD2 3.93Å; L140-L161 HydrophobicContact CD2-CG 4.42Å; Y157-L161 PolarHBondContact O-N 2.92Å; L158-L161 HydrophobicContact CD2-CD2 3.92Å; L158-L161 WeakPolarHBondContact O-CB 2.9Å; L158-L161 PolarHBondContact O-N 3.4Å; G159-L161 VanDerWaalsContact C-N 3.26Å; G159-L161 PolarHBondContact O-N 3.1Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 2.69Å; L161-N164 PolarHBondContact O-N 2.94Å; L161-L165 HydrophobicContact CD1-CD1 3.98Å; L161-L165 HydrophobicContact CD1-CD2 4.32Å; L161-L165 HydrophobicContact CD1-CG 3.94Å; L161-L165 HydrophobicContact CG-CD1 3.99Å; L161-L165 HydrophobicContact CG-CG 4.38Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.45Å; L161-L165 PolarHBondContact O-N 3.03Å |
| 162 | L | 98.9 | Very high | 98 | Very high | 1 Ų | 1 | 34.8 Ų | 34.8 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -61.1 | -42 | 177.4 | -69.5 | 171.2 | 0 | 0 | 0 | 111.9 | L137 L140 V141 F144 L158 G159 N164 L165 T166 L186 T205 | L137-L162 HydrophobicContact CD1-CD2 3.7Å; L140-L162 HydrophobicContact CD2-CD2 3.97Å; L140-L162 HydrophobicContact CG-CD2 4.5Å; V141-L162 HydrophobicContact CG2-CD1 4.28Å; V141-L162 HydrophobicContact CG2-CD2 3.84Å; F144-L162 HydrophobicContact CB-CD1 4.43Å; F144-L162 HydrophobicContact CD1-CD1 4.05Å; F144-L162 HydrophobicContact CE1-CD1 4.41Å; F144-L162 HydrophobicContact CG-CD1 4.08Å; L158-L162 VanDerWaalsContact O-CG 3.29Å; L158-L162 WeakPolarHBondContact O-CG 3.43Å; L158-L162 PolarHBondContact O-N 2.98Å; G159-L162 PolarHBondContact O-N 3.15Å; G159-L162 VanDerWaalsContact O-N 3.1Å; L162-N164 PolarHBondContact O-N 3.13Å; L162-L165 PolarHBondContact O-N 3.37Å; L162-T166 WeakPolarHBondContact O-CG2 3.42Å; L162-T166 PolarHBondContact O-N 3.29Å; L162-T166 PolarHBondContact O-OG1 2.85Å; L162-L186 HydrophobicContact CD1-CD2 4.13Å; L162-T205 VanDerWaalsContact C-OG1 3.28Å; L162-T205 WeakPolarHBondContact CB-OG1 3.05Å |
| 163 | S | 98.8 | Very high | 98.1 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 17% | 0.168 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 174.9 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | G159 P160 L161 L165 T166 T205 N208 | G159-S163 PolarHBondContact O-N 2.72Å; P160-S163 PolarHBondContact O-N 3.34Å; L161-S163 VanDerWaalsContact C-N 3.33Å; L161-S163 PolarHBondContact O-N 2.69Å; S163-L165 PolarHBondContact O-N 3.26Å; S163-T166 PolarHBondContact O-N 2.87Å; S163-T166 PolarHBondContact O-OG1 3.3Å; S163-T205 WeakPolarHBondContact CA-OG1 3.19Å; S163-T205 PolarHBondContact N-OG1 2.89Å; S163-T205 VanDerWaalsContact N-OG1 3.09Å; S163-N208 PolarHBondContact O-ND2 3Å |
| 164 | N | 98.8 | Very high | 98.1 | Very high | 34 Ų | 34 | 35.4 Ų | 35.4 | 18% | 0.182 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 177.9 | -73.7 | -6.8 | 0 | 0 | 0 | 112.7 | S115 S118 C124 P160 L161 L162 T166 Q167 | S115-N164 PolarHBondContact O-ND2 2.89Å; S118-N164 WeakPolarHBondContact O-CB 3.4Å; S118-N164 WeakPolarHBondContact OG-CB 3.44Å; S118-N164 PolarHBondContact OG-ND2 3.05Å; C124-N164 PolarHBondContact SG-O 3.44Å; C124-N164 VanDerWaalsContact SG-O 3.36Å; P160-N164 WeakPolarHBondContact O-CB 3.35Å; P160-N164 PolarHBondContact O-N 3.3Å; P160-N164 PolarHBondContact O-OD1 3.1Å; L161-N164 PolarHBondContact O-N 2.94Å; L162-N164 PolarHBondContact O-N 3.13Å; N164-T166 VanDerWaalsContact C-N 3.3Å; N164-T166 PolarHBondContact O-N 3.46Å; N164-Q167 WeakPolarHBondContact O-CB 3.43Å; N164-Q167 WeakPolarHBondContact O-CG 3.34Å; N164-Q167 PolarHBondContact O-N 2.98Å; N164-Q167 PolarHBondContact O-NE2 3.41Å |
| 165 | L | 98.8 | Very high | 98.1 | Very high | 1 Ų | 1 | 28.8 Ų | 28.8 | 1% | 0.005 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -63.8 | -38.2 | 178.8 | -69.2 | 172.1 | 0 | 0 | 0 | 111.3 | V127 F128 L131 L137 L140 L161 L162 S163 Q167 L168 A171 | V127-L165 HydrophobicContact CG1-CD2 4.34Å; F128-L165 HydrophobicContact CB-CD2 3.91Å; F128-L165 HydrophobicContact CD2-CD2 4.09Å; F128-L165 HydrophobicContact CG-CD2 4.47Å; L131-L165 HydrophobicContact CD2-CD1 3.55Å; L137-L165 HydrophobicContact CD1-CD1 4.06Å; L140-L165 HydrophobicContact CD2-CD1 4.16Å; L161-L165 HydrophobicContact CD1-CD1 3.98Å; L161-L165 HydrophobicContact CD1-CD2 4.32Å; L161-L165 HydrophobicContact CD1-CG 3.94Å; L161-L165 HydrophobicContact CG-CD1 3.99Å; L161-L165 HydrophobicContact CG-CG 4.38Å; L161-L165 VanDerWaalsContact O-CG 3.23Å; L161-L165 WeakPolarHBondContact O-CG 3.45Å; L161-L165 PolarHBondContact O-N 3.03Å; L162-L165 PolarHBondContact O-N 3.37Å; S163-L165 PolarHBondContact O-N 3.26Å; L165-Q167 PolarHBondContact O-N 3.42Å; L165-L168 VanDerWaalsContact O-CB 3.29Å; L165-L168 WeakPolarHBondContact O-CB 3.45Å; L165-L168 WeakPolarHBondContact O-CG 3.42Å; L165-L168 PolarHBondContact O-N 3.47Å; L165-A171 HydrophobicContact CB-CB 4.3Å; L165-A171 WeakPolarHBondContact O-CB 3.24Å |
| 166 | T | 98.6 | Very high | 98 | Very high | 1 Ų | 1 | 28.7 Ų | 28.7 | 1% | 0.006 | 15% | 0.151 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -73.9 | -1.6 | -178.6 | 49.6 | 0 | 0 | 0 | 0 | 115.3 | L162 S163 N164 L168 R172 L175 T205 N208 | L162-T166 WeakPolarHBondContact O-CG2 3.42Å; L162-T166 PolarHBondContact O-N 3.29Å; L162-T166 PolarHBondContact O-OG1 2.85Å; S163-T166 PolarHBondContact O-N 2.87Å; S163-T166 PolarHBondContact O-OG1 3.3Å; N164-T166 VanDerWaalsContact C-N 3.3Å; N164-T166 PolarHBondContact O-N 3.46Å; T166-L168 PolarHBondContact O-N 3.33Å; T166-R172 HydrophobicContact CG2-CG 4.37Å; T166-R172 VanDerWaalsContact O-CD 3.29Å; T166-R172 WeakPolarHBondContact O-CD 3.4Å; T166-R172 WeakPolarHBondContact O-CG 3.35Å; T166-R172 PolarHBondContact O-NH1 3.21Å; T166-L175 HydrophobicContact CG2-CD1 3.28Å; T166-L175 HydrophobicContact CG2-CG 4.35Å; T166-T205 HydrophobicContact CG2-CG2 3.93Å; T166-N208 WeakPolarHBondContact OG1-CB 3.29Å; T166-N208 PolarHBondContact OG1-ND2 2.93Å; T166-N208 VanDerWaalsContact OG1-ND2 3.15Å |
| 167 | Q | 97.3 | Very high | 97.8 | Very high | 69 Ų | 69 | 29.4 Ų | 29.4 | 32% | 0.322 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -27.5 | 160.9 | 85.9 | -170.2 | -63.5 | 0 | 0 | 111.3 | S118 C124 N164 L165 R172 | S118-Q167 PolarHBondContact O-NE2 3.35Å; S118-Q167 VanDerWaalsContact O-NE2 3.09Å; C124-Q167 PolarHBondContact SG-NE2 3Å; N164-Q167 WeakPolarHBondContact O-CB 3.43Å; N164-Q167 WeakPolarHBondContact O-CG 3.34Å; N164-Q167 PolarHBondContact O-N 2.98Å; N164-Q167 PolarHBondContact O-NE2 3.41Å; L165-Q167 PolarHBondContact O-N 3.42Å; Q167-R172 PolarHBondContact O-NH1 3.05Å; Q167-R172 VanDerWaalsContact O-NH1 3.1Å |
| 168 | L | 98.3 | Very high | 97.5 | Very high | 1 Ų | 1 | 31.7 Ų | 31.7 | 1% | 0.005 | 16% | 0.164 | C | C | . | . | S | Bend | trans | -82.6 | 129.1 | 178 | -54.7 | 179.1 | 0 | 0 | 0 | 111 | R125 F128 L165 T166 E170 A171 R172 | R125-L168 HydrophobicContact CG-CD1 4.13Å; R125-L168 HydrophobicContact CG-CD2 3.7Å; F128-L168 HydrophobicContact CB-CD1 3.76Å; F128-L168 HydrophobicContact CD1-CD1 4.2Å; F128-L168 HydrophobicContact CG-CD1 4.05Å; L165-L168 VanDerWaalsContact O-CB 3.29Å; L165-L168 WeakPolarHBondContact O-CB 3.45Å; L165-L168 WeakPolarHBondContact O-CG 3.42Å; L165-L168 PolarHBondContact O-N 3.47Å; T166-L168 PolarHBondContact O-N 3.33Å; L168-E170 PolarHBondContact O-N 3.11Å; L168-A171 HydrophobicContact CB-CB 4.25Å; L168-A171 PolarHBondContact O-N 3.33Å; L168-A171 VanDerWaalsContact O-N 3.15Å; L168-R172 PolarHBondContact O-N 3.03Å |
| 169 | P | 97.3 | Very high | 97.2 | Very high | 64 Ų | 64 | 39.1 Ų | 39.1 | 42% | 0.416 | 20% | 0.204 | S | C | . | . | H | α-helix | trans | -55.3 | -36.9 | 176 | -25.6 | 34.1 | 0 | 0 | 0 | 113.7 | A171 R172 S173 | P169-A171 VanDerWaalsContact C-N 3.33Å; P169-A171 PolarHBondContact O-N 2.89Å; P169-R172 PolarHBondContact O-N 2.87Å; P169-S173 WeakPolarHBondContact O-CB 3.42Å; P169-S173 PolarHBondContact O-N 2.71Å |
| 170 | E | 97.4 | Very high | 96.7 | Very high | 92 Ų | 92 | 44.4 Ų | 44.4 | 43% | 0.43 | 22% | 0.224 | S | C | . | . | H | α-helix | trans | -65.7 | -36.9 | -179.4 | -55.9 | 87 | 164.1 | 0 | 0 | 111.8 | R125 F128 L168 L174 | R125-E170 IonicContact NH1-OE1 3.35Å; F128-E170 HydrophobicContact CE1-CB 3.78Å; F128-E170 HydrophobicContact CZ-CB 4.3Å; L168-E170 PolarHBondContact O-N 3.11Å; E170-L174 WeakPolarHBondContact O-CG 3.29Å; E170-L174 PolarHBondContact O-N 2.88Å |
| 171 | A | 98.2 | Very high | 96.3 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -70 | -41.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 111.5 | F128 L137 L165 L168 P169 S173 L174 L175 | F128-A171 HydrophobicContact CD2-CB 4.17Å; F128-A171 HydrophobicContact CE2-CB 3.67Å; F128-A171 HydrophobicContact CZ-CB 3.98Å; L137-A171 HydrophobicContact CD2-CB 4.35Å; L165-A171 HydrophobicContact CB-CB 4.3Å; L165-A171 WeakPolarHBondContact O-CB 3.24Å; L168-A171 HydrophobicContact CB-CB 4.25Å; L168-A171 PolarHBondContact O-N 3.33Å; L168-A171 VanDerWaalsContact O-N 3.15Å; P169-A171 VanDerWaalsContact C-N 3.33Å; P169-A171 PolarHBondContact O-N 2.89Å; A171-S173 VanDerWaalsContact C-N 3.35Å; A171-L174 PolarHBondContact O-N 2.69Å; A171-L175 PolarHBondContact O-N 3.05Å; A171-L175 VanDerWaalsContact O-N 3.1Å |
| 172 | R | 98 | Very high | 96.1 | Very high | 26 Ų | 26 | 45.8 Ų | 45.8 | 10% | 0.098 | 23% | 0.234 | C | C | . | . | H | α-helix | trans | -60.7 | -45 | 174.8 | -63.3 | -166.2 | -57.4 | -96.6 | 12 | 111.4 | T166 Q167 L168 P169 L174 L175 M176 N208 D212 | T166-R172 HydrophobicContact CG2-CG 4.37Å; T166-R172 VanDerWaalsContact O-CD 3.29Å; T166-R172 WeakPolarHBondContact O-CD 3.4Å; T166-R172 WeakPolarHBondContact O-CG 3.35Å; T166-R172 PolarHBondContact O-NH1 3.21Å; Q167-R172 PolarHBondContact O-NH1 3.05Å; Q167-R172 VanDerWaalsContact O-NH1 3.1Å; L168-R172 PolarHBondContact O-N 3.03Å; P169-R172 PolarHBondContact O-N 2.87Å; R172-L174 VanDerWaalsContact C-N 3.26Å; R172-L174 PolarHBondContact O-N 2.89Å; R172-L175 PolarHBondContact O-N 3.03Å; R172-L175 VanDerWaalsContact O-N 3.12Å; R172-M176 HydrophobicContact CB-CE 3.88Å; R172-M176 WeakPolarHBondContact O-CB 3.13Å; R172-M176 WeakPolarHBondContact O-CG 3.24Å; R172-M176 PolarHBondContact O-N 2.78Å; R172-N208 WeakPolarHBondContact CD-O 3.4Å; R172-D212 IonicContact CZ-OD1 3.88Å; R172-D212 IonicContact CZ-OD2 2.69Å; R172-D212 VanDerWaalsContact NE-CG 3.31Å; R172-D212 IonicContact NE-OD1 2.87Å; R172-D212 PolarHBondContact NE-OD1 3.19Å; R172-D212 IonicContact NE-OD2 3.2Å; R172-D212 PolarHBondContact NE-OD2 3.32Å; R172-D212 IonicContact NH2-OD1 3.94Å; R172-D212 PolarHBondContact NH2-OD1 3.27Å; R172-D212 IonicContact NH2-OD2 3.77Å |
| 173 | S | 96.4 | Very high | 96.1 | Very high | 76 Ų | 76 | 45.8 Ų | 45.8 | 53% | 0.531 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -57.1 | -38.4 | 176.8 | -177.4 | 0 | 0 | 0 | 0 | 112.5 | P169 A171 D177 | P169-S173 WeakPolarHBondContact O-CB 3.42Å; P169-S173 PolarHBondContact O-N 2.71Å; A171-S173 VanDerWaalsContact C-N 3.35Å; S173-D177 PolarHBondContact O-N 3.05Å |
| 174 | L | 96.8 | Very high | 96 | Very high | 48 Ų | 48 | 46.4 Ų | 46.4 | 25% | 0.251 | 23% | 0.234 | S | C | . | . | H | α-helix | trans | -72.6 | -35.1 | 177 | -71.6 | -178.8 | 0 | 0 | 0 | 113.2 | F128 L137 E170 A171 R172 D177 | F128-L174 HydrophobicContact CE2-CD1 4.24Å; F128-L174 HydrophobicContact CZ-CD1 3.73Å; L137-L174 HydrophobicContact CB-CD1 4.32Å; L137-L174 HydrophobicContact CD2-CB 3.94Å; L137-L174 HydrophobicContact CD2-CD1 4.46Å; E170-L174 WeakPolarHBondContact O-CG 3.29Å; E170-L174 PolarHBondContact O-N 2.88Å; A171-L174 PolarHBondContact O-N 2.69Å; R172-L174 VanDerWaalsContact C-N 3.26Å; R172-L174 PolarHBondContact O-N 2.89Å; L174-D177 WeakPolarHBondContact O-CB 3.49Å |
| 175 | L | 96.9 | Very high | 95.9 | Very high | 0 Ų | 0 | 49.4 Ų | 49.4 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -72.5 | -36.2 | 176.2 | -71 | -174.6 | 0 | 0 | 0 | 112.5 | L137 V141 T166 A171 R172 D177 V182 I183 T205 | L137-L175 HydrophobicContact CD2-CD2 3.71Å; L137-L175 HydrophobicContact CD2-CG 3.73Å; L137-L175 HydrophobicContact CG-CD2 3.92Å; L137-L175 HydrophobicContact CG-CG 4.48Å; V141-L175 HydrophobicContact CG2-CD2 3.93Å; T166-L175 HydrophobicContact CG2-CD1 3.28Å; T166-L175 HydrophobicContact CG2-CG 4.35Å; A171-L175 PolarHBondContact O-N 3.05Å; A171-L175 VanDerWaalsContact O-N 3.1Å; R172-L175 PolarHBondContact O-N 3.03Å; R172-L175 VanDerWaalsContact O-N 3.12Å; L175-D177 VanDerWaalsContact C-N 3.26Å; L175-D177 PolarHBondContact O-N 3.39Å; L175-V182 HydrophobicContact CD2-CB 4.25Å; L175-V182 HydrophobicContact CD2-CG1 3.49Å; L175-V182 VanDerWaalsContact CD2-CG1 3.49Å; L175-I183 WeakPolarHBondContact O-CB 3.42Å; L175-I183 PolarHBondContact O-N 3.44Å; L175-T205 HydrophobicContact CD1-CG2 3.56Å |
| 176 | M | 95.8 | Very high | 95.9 | Very high | 3 Ų | 3 | 49.3 Ų | 49.3 | 2% | 0.015 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.4 | 15.6 | -179.6 | -63.5 | -169.6 | -63.7 | 0 | 0 | 113.4 | R172 R178 I183 C209 D212 H215 W218 | R172-M176 HydrophobicContact CB-CE 3.88Å; R172-M176 WeakPolarHBondContact O-CB 3.13Å; R172-M176 WeakPolarHBondContact O-CG 3.24Å; R172-M176 PolarHBondContact O-N 2.78Å; M176-R178 PolarHBondContact O-N 3.09Å; M176-I183 HydrophobicContact CG-CD1 4.26Å; M176-C209 HydrophobicContact CG-CB 4.26Å; M176-C209 HydrophobicContact SD-CB 3.78Å; M176-D212 HydrophobicContact CE-CB 3.77Å; M176-D212 WeakPolarHBondContact CE-OD2 3.39Å; M176-H215 HydrophobicContact CE-CB 4.5Å; M176-H215 HydrophobicContact SD-CB 3.8Å; M176-W218 HydrophobicContact CB-CH2 4.37Å; M176-W218 HydrophobicContact CB-CZ3 3.8Å; M176-W218 HydrophobicContact CG-CZ3 4.13Å |
| 177 | D | 94.1 | Very high | 95.8 | Very high | 53 Ų | 53 | 49.5 Ų | 49.5 | 28% | 0.283 | 24% | 0.243 | S | C | . | . | trans | -65.1 | 115.7 | 170.1 | -174.8 | -26.9 | 0 | 0 | 0 | 109.9 | S173 L174 L175 D179 R180 C181 | S173-D177 PolarHBondContact O-N 3.05Å; L174-D177 WeakPolarHBondContact O-CB 3.49Å; L175-D177 VanDerWaalsContact C-N 3.26Å; L175-D177 PolarHBondContact O-N 3.39Å; D177-D179 VanDerWaalsContact C-N 3.27Å; D177-D179 PolarHBondContact O-N 3.45Å; D177-D179 PolarHBondContact OD1-N 2.9Å; D177-R180 HydrophobicContact CB-CB 4.3Å; D177-R180 HydrophobicContact CB-CG 4.34Å; D177-R180 PolarHBondContact O-N 2.9Å; D177-R180 WeakPolarHBondContact OD2-CD 3.27Å; D177-C181 PolarHBondContact O-N 3.18Å | ||
| 178 | R | 93 | Very high | 95.8 | Very high | 143 Ų | 143 | 50.1 Ų | 50.1 | 54% | 0.54 | 25% | 0.253 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -27.2 | -173.2 | -59.3 | -171.2 | 179.1 | -174.9 | 0.4 | 113.1 | M176 W218 | M176-R178 PolarHBondContact O-N 3.09Å; R178-W218 HydrophobicContact CB-CZ2 4.32Å; R178-W218 HydrophobicContact CG-CD2 4.24Å; R178-W218 HydrophobicContact CG-CH2 4.48Å; R178-W218 HydrophobicContact CG-CZ2 3.9Å |
| 179 | D | 91 | Very high | 95.8 | Very high | 156 Ų | 156 | 50.9 Ų | 50.9 | 83% | 0.834 | 26% | 0.256 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -85.6 | -20.9 | -175.4 | -64.4 | -33.1 | 0 | 0 | 0 | 112.1 | D177 | D177-D179 VanDerWaalsContact C-N 3.27Å; D177-D179 PolarHBondContact O-N 3.45Å; D177-D179 PolarHBondContact OD1-N 2.9Å |
| 180 | R | 89.4 | Confident | 95.8 | Very high | 110 Ų | 110 | 47.8 Ų | 47.8 | 42% | 0.415 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -100 | -15.2 | -174.1 | -61.2 | -178.8 | 70.8 | 179.4 | 8.7 | 114.1 | D177 V182 | D177-R180 HydrophobicContact CB-CB 4.3Å; D177-R180 HydrophobicContact CB-CG 4.34Å; D177-R180 PolarHBondContact O-N 2.9Å; D177-R180 WeakPolarHBondContact OD2-CD 3.27Å; R180-V182 VanDerWaalsContact C-N 3.25Å; R180-V182 HydrophobicContact CB-CG2 3.72Å; R180-V182 PolarHBondContact O-N 3.23Å |
| 181 | C | 89.8 | Confident | 95.7 | Very high | 58 Ų | 58 | 46.8 Ų | 46.8 | 39% | 0.392 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 48.5 | 43.1 | 179.6 | -55.5 | 0 | 0 | 0 | 0 | 113.5 | D177 Q184 | D177-C181 PolarHBondContact O-N 3.18Å; C181-Q184 PolarHBondContact O-OE1 3.26Å |
| 182 | V | 95.2 | Very high | 95.6 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.006 | 24% | 0.238 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.5 | -46 | -173.7 | -173.1 | 0 | 0 | 0 | 0 | 110.8 | A138 V141 L175 R180 Q184 R185 | A138-V182 HydrophobicContact CB-CG2 4.07Å; V141-V182 HydrophobicContact CB-CG1 3.9Å; V141-V182 HydrophobicContact CG1-CG1 3.85Å; V141-V182 HydrophobicContact CG2-CG1 3.81Å; L175-V182 HydrophobicContact CD2-CB 4.25Å; L175-V182 HydrophobicContact CD2-CG1 3.49Å; L175-V182 VanDerWaalsContact CD2-CG1 3.49Å; R180-V182 VanDerWaalsContact C-N 3.25Å; R180-V182 HydrophobicContact CB-CG2 3.72Å; R180-V182 PolarHBondContact O-N 3.23Å; V182-Q184 VanDerWaalsContact C-N 3.31Å; V182-Q184 PolarHBondContact O-N 2.95Å; V182-R185 WeakPolarHBondContact O-CB 3.42Å; V182-R185 PolarHBondContact O-N 3.44Å |
| 183 | I | 97.2 | Very high | 95.4 | Very high | 1 Ų | 1 | 55.9 Ų | 55.9 | 1% | 0.005 | 27% | 0.274 | C | S | . | . | G | 310 helix | trans | -60.6 | -36.6 | -179.4 | -170.9 | 160.6 | 0 | 0 | 0 | 112.9 | L175 M176 R185 L186 L206 C209 W218 L219 | L175-I183 WeakPolarHBondContact O-CB 3.42Å; L175-I183 PolarHBondContact O-N 3.44Å; M176-I183 HydrophobicContact CG-CD1 4.26Å; I183-R185 PolarHBondContact O-N 3.07Å; I183-L186 WeakPolarHBondContact O-CB 3.36Å; I183-L186 PolarHBondContact O-N 2.83Å; I183-L206 HydrophobicContact CD1-CD2 3.84Å; I183-L206 HydrophobicContact CG1-CD2 3.69Å; I183-C209 HydrophobicContact CD1-CB 4.03Å; I183-W218 HydrophobicContact CG2-CH2 3.77Å; I183-W218 HydrophobicContact CG2-CZ3 4.29Å; I183-L219 HydrophobicContact CD1-CD2 3.85Å |
| 184 | Q | 97.3 | Very high | 95.4 | Very high | 37 Ų | 37 | 56 Ų | 56 | 17% | 0.173 | 28% | 0.28 | C | S | . | . | G | 310 helix | trans | -59.9 | -32.4 | 178.6 | -67.9 | 89.1 | -27.3 | 0 | 0 | 112.5 | C181 V182 L186 L187 A223 V224 | C181-Q184 PolarHBondContact O-OE1 3.26Å; V182-Q184 VanDerWaalsContact C-N 3.31Å; V182-Q184 PolarHBondContact O-N 2.95Å; Q184-L186 PolarHBondContact O-N 2.88Å; Q184-L187 PolarHBondContact O-N 3.07Å; Q184-A223 PolarHBondContact NE2-O 2.9Å; Q184-A223 VanDerWaalsContact NE2-O 3.1Å; Q184-V224 HydrophobicContact CG-CG1 4.31Å |
| 185 | R | 97.3 | Very high | 95.4 | Very high | 97 Ų | 97 | 54.3 Ų | 54.3 | 37% | 0.366 | 27% | 0.272 | S | S | . | . | G | 310 helix | trans | -67 | -20.5 | 179.2 | -59 | 176.4 | -170.2 | -172.1 | -0.2 | 112.8 | V141 E142 C145 V182 I183 | V141-R185 HydrophobicContact CG1-CB 4.28Å; E142-R185 IonicContact OE1-CZ 3.14Å; E142-R185 IonicContact OE1-NH1 3.29Å; E142-R185 PolarHBondContact OE1-NH1 3.09Å; E142-R185 IonicContact OE1-NH2 3.88Å; C145-R185 PolarHBondContact SG-O 2.9Å; V182-R185 WeakPolarHBondContact O-CB 3.42Å; V182-R185 PolarHBondContact O-N 3.44Å; I183-R185 PolarHBondContact O-N 3.07Å |
| 186 | L | 98.3 | Very high | 95.5 | Very high | 0 Ų | 0 | 57.4 Ų | 57.4 | 0% | 0 | 29% | 0.291 | C | S | . | . | G | 310 helix | trans | -83.9 | -24.6 | 179.2 | -59.2 | 177.9 | 0 | 0 | 0 | 112.2 | V141 F144 L162 I183 Q184 F189 V202 T205 | V141-L186 HydrophobicContact CG1-CD2 3.83Å; V141-L186 HydrophobicContact CG1-CG 4.34Å; V141-L186 HydrophobicContact CG2-CD2 4.48Å; F144-L186 HydrophobicContact CD1-CD2 3.74Å; F144-L186 HydrophobicContact CE1-CD2 3.8Å; L162-L186 HydrophobicContact CD1-CD2 4.13Å; I183-L186 WeakPolarHBondContact O-CB 3.36Å; I183-L186 PolarHBondContact O-N 2.83Å; Q184-L186 PolarHBondContact O-N 2.88Å; L186-F189 WeakPolarHBondContact O-CB 3.49Å; L186-F189 PolarHBondContact O-N 3.41Å; L186-V202 HydrophobicContact CB-CG1 4.09Å; L186-V202 WeakPolarHBondContact O-CG1 3.46Å; L186-T205 HydrophobicContact CD1-CG2 3.69Å |
| 187 | L | 97.8 | Very high | 95.6 | Very high | 4 Ų | 4 | 59.7 Ų | 59.7 | 2% | 0.021 | 31% | 0.305 | C | S | . | . | G | 310 helix | trans | -55.3 | -43.5 | -172 | -60 | 179.6 | 0 | 0 | 0 | 114.3 | Q184 F189 T190 L206 V224 V226 F229 | Q184-L187 PolarHBondContact O-N 3.07Å; L187-F189 PolarHBondContact O-N 3.14Å; L187-T190 WeakPolarHBondContact O-CG2 3.37Å; L187-T190 PolarHBondContact O-N 3.32Å; L187-T190 VanDerWaalsContact O-N 3.14Å; L187-T190 PolarHBondContact O-OG1 3.28Å; L187-L206 HydrophobicContact CD2-CD1 4.07Å; L187-L206 HydrophobicContact CD2-CD2 4.04Å; L187-V224 HydrophobicContact CD1-CG1 4.26Å; L187-V224 WeakPolarHBondContact CD1-O 3.12Å; L187-V226 HydrophobicContact CD2-CG2 3.86Å; L187-F229 HydrophobicContact CB-CB 4.32Å; L187-F229 HydrophobicContact CB-CD1 3.72Å; L187-F229 HydrophobicContact CB-CD2 3.75Å; L187-F229 HydrophobicContact CB-CE1 3.85Å; L187-F229 HydrophobicContact CB-CE2 3.89Å; L187-F229 HydrophobicContact CB-CG 3.66Å; L187-F229 HydrophobicContact CB-CZ 3.94Å; L187-F229 HydrophobicContact CD1-CD2 3.77Å; L187-F229 HydrophobicContact CD1-CE2 3.77Å; L187-F229 HydrophobicContact CD1-CG 4.48Å; L187-F229 HydrophobicContact CD1-CZ 4.48Å; L187-F229 HydrophobicContact CD2-CB 4.4Å; L187-F229 HydrophobicContact CD2-CD2 4.38Å; L187-F229 HydrophobicContact CD2-CG 4.45Å; L187-F229 HydrophobicContact CG-CD2 4.17Å; L187-F229 HydrophobicContact CG-CE2 4.42Å; L187-F229 HydrophobicContact CG-CG 4.41Å; L187-F229 WeakPolarHBondContact O-CD1 3.35Å |
| 188 | P | 96.6 | Very high | 95.8 | Very high | 83 Ų | 83 | 57.2 Ų | 57.2 | 54% | 0.539 | 29% | 0.292 | S | S | . | . | G | 310 helix | trans | -60.3 | -21.2 | 177.6 | -24.6 | 36 | 0 | 0 | 0 | 113.9 | T190 | P188-T190 VanDerWaalsContact C-N 3.34Š|
| 189 | F | 97.9 | Very high | 96 | Very high | 16 Ų | 16 | 51.5 Ų | 51.5 | 7% | 0.07 | 27% | 0.27 | C | S | . | . | G | 310 helix | trans | -85.8 | -1.3 | -177.4 | -63.9 | -84.9 | 0 | 0 | 0 | 113.9 | F144 C145 E147 L186 L187 Q191 Y192 R198 V202 | F144-F189 HydrophobicContact CE1-CB 4.39Å; F144-F189 HydrophobicContact CE1-CD1 4.49Å; F144-F189 HydrophobicContact CE1-CD2 4.24Å; F144-F189 HydrophobicContact CE1-CG 4.11Å; C145-F189 HydrophobicContact CB-CE2 3.79Å; C145-F189 HydrophobicContact CB-CZ 4.1Å; C145-F189 WeakPolarHBondContact O-CZ 3.49Å; E147-F189 HydrophobicContact CG-CE1 4.43Å; L186-F189 WeakPolarHBondContact O-CB 3.49Å; L186-F189 PolarHBondContact O-N 3.41Å; L187-F189 PolarHBondContact O-N 3.14Å; F189-Q191 PolarHBondContact O-N 3.03Å; F189-Y192 AromaticContact CD1-CD2 3.74Å; F189-Y192 HydrophobicContact CD1-CD2 3.74Å; F189-Y192 HydrophobicContact CD1-CE2 4.42Å; F189-Y192 HydrophobicContact CD1-CG 4.05Å; F189-Y192 AromaticContact CE1-CD2 3.99Å; F189-Y192 HydrophobicContact CE1-CD2 3.99Å; F189-Y192 HydrophobicContact CE1-CE2 4.27Å; F189-Y192 PolarHBondContact O-N 2.85Å; F189-R198 HydrophobicContact CD1-CG 4.37Å; F189-V202 HydrophobicContact CB-CB 4.39Å; F189-V202 HydrophobicContact CB-CG1 4.32Å; F189-V202 HydrophobicContact CB-CG2 3.74Å |
| 190 | T | 97.6 | Very high | 96.3 | Very high | 0 Ų | 0 | 44.9 Ų | 44.9 | 0% | 0 | 24% | 0.238 | C | C | . | . | G | 310 helix | trans | -64.5 | -22.5 | 171 | 62.8 | 0 | 0 | 0 | 0 | 112.2 | L187 P188 R199 V202 I203 L206 F229 | L187-T190 WeakPolarHBondContact O-CG2 3.37Å; L187-T190 PolarHBondContact O-N 3.32Å; L187-T190 VanDerWaalsContact O-N 3.14Å; L187-T190 PolarHBondContact O-OG1 3.28Å; P188-T190 VanDerWaalsContact C-N 3.34Å; T190-R199 WeakPolarHBondContact O-CD 3.48Å; T190-V202 HydrophobicContact CG2-CG1 3.98Å; T190-I203 HydrophobicContact CG2-CG1 4.16Å; T190-L206 HydrophobicContact CG2-CD1 3.69Å; T190-F229 WeakPolarHBondContact CB-O 3.45Å; T190-F229 HydrophobicContact CG2-CB 4.27Å; T190-F229 PolarHBondContact OG1-O 3.31Å |
| 191 | Q | 94.2 | Very high | 96.8 | Very high | 70 Ų | 70 | 39.9 Ų | 39.9 | 33% | 0.327 | 22% | 0.221 | S | C | . | . | G | 310 helix | trans | -118.1 | 21.7 | 179.3 | -65.2 | -177.2 | 100.4 | 0 | 0 | 113 | F189 E193 L232 P233 | F189-Q191 PolarHBondContact O-N 3.03Å; Q191-E193 PolarHBondContact O-N 2.95Å; Q191-L232 VanDerWaalsContact OE1-CG 3.31Å; Q191-P233 HydrophobicContact CG-CB 4.45Å; Q191-P233 HydrophobicContact CG-CG 3.79Å |
| 192 | Y | 96.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 37.1 Ų | 37.1 | 14% | 0.137 | 20% | 0.202 | C | C | . | . | trans | -63.3 | 97.3 | -179.1 | -172.2 | -100.1 | 0 | 0 | 0 | 113.2 | E147 H156 F189 A194 S195 R198 R199 | E147-Y192 HydrophobicContact CG-CE2 4.25Å; E147-Y192 WeakPolarHBondContact OE2-CE2 3.4Å; E147-Y192 VanDerWaalsContact OE2-CZ 3.29Å; E147-Y192 PolarHBondContact OE2-OH 3.11Å; H156-Y192 AromaticContact CE1-CE1 3.85Å; F189-Y192 AromaticContact CD1-CD2 3.74Å; F189-Y192 HydrophobicContact CD1-CD2 3.74Å; F189-Y192 HydrophobicContact CD1-CE2 4.42Å; F189-Y192 HydrophobicContact CD1-CG 4.05Å; F189-Y192 AromaticContact CE1-CD2 3.99Å; F189-Y192 HydrophobicContact CE1-CD2 3.99Å; F189-Y192 HydrophobicContact CE1-CE2 4.27Å; F189-Y192 PolarHBondContact O-N 2.85Å; Y192-A194 VanDerWaalsContact C-N 3.35Å; Y192-A194 HydrophobicContact CD1-CB 4.38Å; Y192-A194 HydrophobicContact CE1-CB 3.63Å; Y192-A194 PolarHBondContact O-N 3.38Å; Y192-S195 PolarHBondContact O-N 2.69Å; Y192-R198 HydrophobicContact CD1-CB 3.92Å; Y192-R198 VanDerWaalsContact CD1-CD 3.4Å; Y192-R198 HydrophobicContact CD1-CG 3.99Å; Y192-R198 HydrophobicContact CE1-CB 4.46Å; Y192-R198 VanDerWaalsContact CE1-CD 3.48Å; Y192-R198 HydrophobicContact CE1-CG 4.48Å; Y192-R198 HydrophobicContact CG-CG 4.34Å; Y192-R199 VanDerWaalsContact N-CD 3.33Å; Y192-R199 WeakPolarHBondContact O-CD 3.18Å; Y192-R199 WeakPolarHBondContact O-CG 3.5Å; Y192-R199 PolarHBondContact O-NH1 3.45Å | ||
| 193 | E | 94.3 | Very high | 97.4 | Very high | 182 Ų | 182 | 37 Ų | 37 | 85% | 0.85 | 20% | 0.202 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.3 | -40.4 | -169.8 | -65.1 | -178.2 | 174.3 | 0 | 0 | 113.8 | Q191 S195 R199 | Q191-E193 PolarHBondContact O-N 2.95Å; E193-S195 PolarHBondContact O-N 3.26Å; E193-S195 VanDerWaalsContact O-N 3.08Å; E193-R199 PolarHBondContact O-NH1 2.97Å; E193-R199 VanDerWaalsContact O-NH1 3.1Å |
| 194 | A | 95.5 | Very high | 97.4 | Very high | 79 Ų | 79 | 37.1 Ų | 37.1 | 65% | 0.653 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -69.5 | -10.3 | -171.6 | 0 | 0 | 0 | 0 | 0 | 114.6 | Y192 | Y192-A194 VanDerWaalsContact C-N 3.35Å; Y192-A194 HydrophobicContact CD1-CB 4.38Å; Y192-A194 HydrophobicContact CE1-CB 3.63Å; Y192-A194 PolarHBondContact O-N 3.38Å |
| 195 | S | 97.6 | Very high | 97.5 | Very high | 13 Ų | 13 | 35.4 Ų | 35.4 | 9% | 0.091 | 20% | 0.195 | C | C | . | . | trans | -156.2 | 113.3 | 179.6 | -177.5 | 0 | 0 | 0 | 0 | 114.4 | H156 Y192 E193 V197 R198 R199 | H156-S195 VanDerWaalsContact CE1-CB 3.43Å; H156-S195 WeakPolarHBondContact CE1-CB 3.49Å; H156-S195 VanDerWaalsContact CG-OG 3.28Å; H156-S195 VanDerWaalsContact ND1-CB 3.29Å; H156-S195 WeakPolarHBondContact ND1-CB 3.35Å; H156-S195 PolarHBondContact ND1-OG 3.31Å; Y192-S195 PolarHBondContact O-N 2.69Å; E193-S195 PolarHBondContact O-N 3.26Å; E193-S195 VanDerWaalsContact O-N 3.08Å; S195-V197 VanDerWaalsContact C-N 3.27Å; S195-V197 PolarHBondContact O-N 2.91Å; S195-V197 PolarHBondContact OG-N 3.43Å; S195-R198 PolarHBondContact O-N 3.21Å; S195-R198 PolarHBondContact OG-N 2.99Å; S195-R199 PolarHBondContact O-N 2.95Å; S195-R199 VanDerWaalsContact O-N 3.14Å | ||
| 196 | V | 98.3 | Very high | 97.6 | Very high | 65 Ų | 65 | 30.9 Ų | 30.9 | 39% | 0.394 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -56.2 | -42 | 169.5 | -178.7 | 0 | 0 | 0 | 0 | 111.1 | R198 R199 G200 D264 I267 | V196-R198 VanDerWaalsContact C-N 3.28Å; V196-R198 PolarHBondContact O-N 2.93Å; V196-R199 PolarHBondContact O-N 3.38Å; V196-G200 PolarHBondContact O-N 2.71Å; V196-D264 HydrophobicContact CG1-CB 4.22Å; V196-D264 WeakPolarHBondContact CG1-OD2 3.4Å; V196-I267 HydrophobicContact CG1-CD1 3.69Å |
| 197 | V | 98.3 | Very high | 97.6 | Very high | 51 Ų | 51 | 34 Ų | 34 | 31% | 0.309 | 19% | 0.19 | S | C | . | . | H | α-helix | trans | -58.8 | -41.4 | 178.9 | 178.8 | 0 | 0 | 0 | 0 | 111.5 | H156 Y157 P160 S195 G201 | H156-V197 HydrophobicContact CB-CB 4.46Å; H156-V197 HydrophobicContact CB-CG1 4.46Å; Y157-V197 HydrophobicContact CD2-CG1 4.13Å; Y157-V197 HydrophobicContact CE2-CG1 4.15Å; Y157-V197 HydrophobicContact CE2-CG2 4.49Å; Y157-V197 HydrophobicContact CG-CG1 4.4Å; P160-V197 HydrophobicContact CG-CG1 3.55Å; S195-V197 VanDerWaalsContact C-N 3.27Å; S195-V197 PolarHBondContact O-N 2.91Å; S195-V197 PolarHBondContact OG-N 3.43Å; V197-G201 PolarHBondContact O-N 3.49Å |
| 198 | R | 97.8 | Very high | 97.6 | Very high | 1 Ų | 1 | 34.9 Ų | 34.9 | 0% | 0.004 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.4 | -45.9 | -179.9 | -170.3 | 169.3 | -98.5 | -100 | 9.3 | 111.3 | F144 K154 H156 F189 Y192 S195 V196 V202 | F144-R198 VanDerWaalsContact CD2-NH1 3.33Å; F144-R198 HydrophobicContact CE2-CG 3.62Å; F144-R198 VanDerWaalsContact CE2-CZ 3.43Å; F144-R198 VanDerWaalsContact CE2-NH1 3.26Å; F144-R198 HydrophobicContact CZ-CG 3.45Å; F144-R198 VanDerWaalsContact CZ-CG 3.45Å; F144-R198 PolarHBondContact O-NH1 3.35Å; F144-R198 PolarHBondContact O-NH2 2.75Å; F144-R198 VanDerWaalsContact O-NH2 3.1Å; K154-R198 PolarHBondContact O-NH2 3.24Å; H156-R198 PolarHBondContact ND1-NE 3.49Å; F189-R198 HydrophobicContact CD1-CG 4.37Å; Y192-R198 HydrophobicContact CD1-CB 3.92Å; Y192-R198 VanDerWaalsContact CD1-CD 3.4Å; Y192-R198 HydrophobicContact CD1-CG 3.99Å; Y192-R198 HydrophobicContact CE1-CB 4.46Å; Y192-R198 VanDerWaalsContact CE1-CD 3.48Å; Y192-R198 HydrophobicContact CE1-CG 4.48Å; Y192-R198 HydrophobicContact CG-CG 4.34Å; S195-R198 PolarHBondContact O-N 3.21Å; S195-R198 PolarHBondContact OG-N 2.99Å; V196-R198 VanDerWaalsContact C-N 3.28Å; V196-R198 PolarHBondContact O-N 2.93Å; R198-V202 WeakPolarHBondContact O-CG2 3.21Å; R198-V202 PolarHBondContact O-N 3.09Å; R198-V202 VanDerWaalsContact O-N 3.13Å |
| 199 | R | 97.9 | Very high | 97.7 | Very high | 23 Ų | 23 | 31 Ų | 31 | 9% | 0.087 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.5 | -53.4 | 175.5 | -64.4 | -165.4 | -55.9 | -91.2 | 12.4 | 111.8 | T190 Y192 E193 S195 V196 G201 V202 I203 E262 I267 | T190-R199 WeakPolarHBondContact O-CD 3.48Å; Y192-R199 VanDerWaalsContact N-CD 3.33Å; Y192-R199 WeakPolarHBondContact O-CD 3.18Å; Y192-R199 WeakPolarHBondContact O-CG 3.5Å; Y192-R199 PolarHBondContact O-NH1 3.45Å; E193-R199 PolarHBondContact O-NH1 2.97Å; E193-R199 VanDerWaalsContact O-NH1 3.1Å; S195-R199 PolarHBondContact O-N 2.95Å; S195-R199 VanDerWaalsContact O-N 3.14Å; V196-R199 PolarHBondContact O-N 3.38Å; R199-G201 VanDerWaalsContact C-N 3.3Å; R199-G201 PolarHBondContact O-N 3.21Å; R199-V202 PolarHBondContact O-N 2.96Å; R199-V202 VanDerWaalsContact O-N 3.11Å; R199-I203 WeakPolarHBondContact O-CG1 3.38Å; R199-I203 PolarHBondContact O-N 3.1Å; R199-E262 IonicContact CZ-OE1 2.95Å; R199-E262 IonicContact CZ-OE2 3.37Å; R199-E262 IonicContact NE-OE1 2.73Å; R199-E262 IonicContact NE-OE2 3.28Å; R199-E262 PolarHBondContact NE-OE2 3.19Å; R199-E262 IonicContact NH2-OE1 3.75Å; R199-E262 PolarHBondContact NH2-OE1 3.31Å; R199-E262 IonicContact NH2-OE2 3.43Å; R199-E262 PolarHBondContact NH2-OE2 2.71Å; R199-I267 HydrophobicContact CB-CD1 4.12Å |
| 200 | G | 98.5 | Very high | 97.7 | Very high | 16 Ų | 16 | 30.4 Ų | 30.4 | 17% | 0.165 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -59.5 | -39.4 | -179.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | V196 I203 G204 | V196-G200 PolarHBondContact O-N 2.71Å; G200-I203 PolarHBondContact O-N 2.57Å; G200-G204 PolarHBondContact O-N 3.09Å |
| 201 | G | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 34.1 Ų | 34.1 | 5% | 0.052 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64 | -39.5 | 175 | 0 | 0 | 0 | 0 | 0 | 113.9 | G159 V197 R199 T205 | G159-G201 VanDerWaalsContact C-CA 3.42Å; G159-G201 WeakPolarHBondContact O-CA 3.39Å; V197-G201 PolarHBondContact O-N 3.49Å; R199-G201 VanDerWaalsContact C-N 3.3Å; R199-G201 PolarHBondContact O-N 3.21Å; G201-T205 WeakPolarHBondContact O-CB 3.43Å; G201-T205 PolarHBondContact O-N 3.26Å; G201-T205 PolarHBondContact O-OG1 3.19Å |
| 202 | V | 98.7 | Very high | 97.6 | Very high | 0 Ų | 0 | 32.9 Ų | 32.9 | 0% | 0 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -69.2 | -45.5 | 176.2 | 165.3 | 0 | 0 | 0 | 0 | 111.1 | F144 L186 F189 T190 R198 R199 G204 T205 L206 | F144-V202 HydrophobicContact CE1-CG2 3.55Å; F144-V202 HydrophobicContact CZ-CG2 3.52Å; L186-V202 HydrophobicContact CB-CG1 4.09Å; L186-V202 WeakPolarHBondContact O-CG1 3.46Å; F189-V202 HydrophobicContact CB-CB 4.39Å; F189-V202 HydrophobicContact CB-CG1 4.32Å; F189-V202 HydrophobicContact CB-CG2 3.74Å; T190-V202 HydrophobicContact CG2-CG1 3.98Å; R198-V202 WeakPolarHBondContact O-CG2 3.21Å; R198-V202 PolarHBondContact O-N 3.09Å; R198-V202 VanDerWaalsContact O-N 3.13Å; R199-V202 PolarHBondContact O-N 2.96Å; R199-V202 VanDerWaalsContact O-N 3.11Å; V202-G204 VanDerWaalsContact C-N 3.32Å; V202-G204 PolarHBondContact O-N 3.02Å; V202-T205 WeakPolarHBondContact O-CA 3.26Å; V202-T205 VanDerWaalsContact O-CB 3.28Å; V202-T205 WeakPolarHBondContact O-CB 3.4Å; V202-T205 PolarHBondContact O-N 3.25Å; V202-T205 VanDerWaalsContact O-N 3.13Å; V202-L206 HydrophobicContact CG1-CD1 4.34Å; V202-L206 WeakPolarHBondContact O-CG 3.34Å; V202-L206 PolarHBondContact O-N 3.4Å |
| 203 | I | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 33.7 Ų | 33.7 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -64.7 | -40.1 | 179.2 | -66.7 | 164.8 | 0 | 0 | 0 | 110.1 | T190 R199 G200 T205 L206 R207 I267 M270 L271 | T190-I203 HydrophobicContact CG2-CG1 4.16Å; R199-I203 WeakPolarHBondContact O-CG1 3.38Å; R199-I203 PolarHBondContact O-N 3.1Å; G200-I203 PolarHBondContact O-N 2.57Å; I203-T205 VanDerWaalsContact C-N 3.31Å; I203-T205 PolarHBondContact O-N 3.49Å; I203-L206 PolarHBondContact O-N 2.89Å; I203-R207 WeakPolarHBondContact O-CB 3.35Å; I203-R207 PolarHBondContact O-N 3.13Å; I203-I267 HydrophobicContact CD1-CG2 3.25Å; I203-M270 HydrophobicContact CB-SD 4.19Å; I203-M270 HydrophobicContact CG2-CB 4Å; I203-M270 HydrophobicContact CG2-CG 3.79Å; I203-M270 HydrophobicContact CG2-SD 3.76Å; I203-L271 HydrophobicContact CD1-CD1 4.21Å; I203-L271 HydrophobicContact CD1-CD2 3.83Å; I203-L271 HydrophobicContact CD1-CG 4.03Å; I203-L271 HydrophobicContact CG1-CD2 3.94Å; I203-L271 HydrophobicContact CG2-CD2 3.77Å; I203-L271 HydrophobicContact CG2-CG 3.91Å |
| 204 | G | 98.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 28.8 Ų | 28.8 | 3% | 0.031 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -38.4 | 173 | 0 | 0 | 0 | 0 | 0 | 112.8 | G200 V202 R207 N208 M270 | G200-G204 PolarHBondContact O-N 3.09Å; V202-G204 VanDerWaalsContact C-N 3.32Å; V202-G204 PolarHBondContact O-N 3.02Å; G204-R207 PolarHBondContact O-N 3.3Å; G204-N208 WeakPolarHBondContact O-CB 3.44Å; G204-N208 PolarHBondContact O-N 3.49Å; G204-N208 PolarHBondContact O-ND2 3.49Å; G204-M270 WeakPolarHBondContact CA-SD 3.4Å; G204-M270 PolarHBondContact N-SD 3.47Å |
| 205 | T | 98.8 | Very high | 97.5 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 173 | -62.8 | 0 | 0 | 0 | 0 | 111.8 | L162 S163 T166 L175 L186 G201 V202 I203 N208 C209 | L162-T205 VanDerWaalsContact C-OG1 3.28Å; L162-T205 WeakPolarHBondContact CB-OG1 3.05Å; S163-T205 WeakPolarHBondContact CA-OG1 3.19Å; S163-T205 PolarHBondContact N-OG1 2.89Å; S163-T205 VanDerWaalsContact N-OG1 3.09Å; T166-T205 HydrophobicContact CG2-CG2 3.93Å; L175-T205 HydrophobicContact CD1-CG2 3.56Å; L186-T205 HydrophobicContact CD1-CG2 3.69Å; G201-T205 WeakPolarHBondContact O-CB 3.43Å; G201-T205 PolarHBondContact O-N 3.26Å; G201-T205 PolarHBondContact O-OG1 3.19Å; V202-T205 WeakPolarHBondContact O-CA 3.26Å; V202-T205 VanDerWaalsContact O-CB 3.28Å; V202-T205 WeakPolarHBondContact O-CB 3.4Å; V202-T205 PolarHBondContact O-N 3.25Å; V202-T205 VanDerWaalsContact O-N 3.13Å; I203-T205 VanDerWaalsContact C-N 3.31Å; I203-T205 PolarHBondContact O-N 3.49Å; T205-N208 PolarHBondContact O-N 2.9Å; T205-C209 PolarHBondContact O-N 3.33Å; T205-C209 VanDerWaalsContact O-N 3.07Å; T205-C209 PolarHBondContact O-SG 3.09Å |
| 206 | L | 98.6 | Very high | 97.5 | Very high | 2 Ų | 2 | 26.6 Ų | 26.6 | 1% | 0.01 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -65.2 | -44.4 | 177.8 | -65.3 | 177 | 0 | 0 | 0 | 111.7 | I183 L187 T190 V202 I203 N208 C209 C210 L230 | I183-L206 HydrophobicContact CD1-CD2 3.84Å; I183-L206 HydrophobicContact CG1-CD2 3.69Å; L187-L206 HydrophobicContact CD2-CD1 4.07Å; L187-L206 HydrophobicContact CD2-CD2 4.04Å; T190-L206 HydrophobicContact CG2-CD1 3.69Å; V202-L206 HydrophobicContact CG1-CD1 4.34Å; V202-L206 WeakPolarHBondContact O-CG 3.34Å; V202-L206 PolarHBondContact O-N 3.4Å; I203-L206 PolarHBondContact O-N 2.89Å; L206-N208 VanDerWaalsContact C-N 3.32Å; L206-N208 PolarHBondContact O-N 3.03Å; L206-C209 WeakPolarHBondContact O-CB 3.29Å; L206-C209 PolarHBondContact O-N 3.12Å; L206-C210 PolarHBondContact O-N 3.02Å; L206-C210 PolarHBondContact O-SG 3.14Å; L206-L230 HydrophobicContact CD1-CD2 4.14Å |
| 207 | R | 98.6 | Very high | 97.4 | Very high | 66 Ų | 66 | 26 Ų | 26 | 25% | 0.249 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -55.1 | -48.4 | 174.5 | -173.3 | 178.8 | 173.2 | -78.9 | 4.9 | 111.2 | I203 G204 C209 C210 M270 E273 T274 L277 | I203-R207 WeakPolarHBondContact O-CB 3.35Å; I203-R207 PolarHBondContact O-N 3.13Å; G204-R207 PolarHBondContact O-N 3.3Å; R207-C209 VanDerWaalsContact C-N 3.32Å; R207-C209 PolarHBondContact O-N 3.19Å; R207-C210 WeakPolarHBondContact O-CB 3.42Å; R207-C210 PolarHBondContact O-N 3.43Å; R207-M270 HydrophobicContact CB-CG 4.44Å; R207-E273 IonicContact CZ-OE2 3.32Å; R207-E273 IonicContact NE-OE2 2.82Å; R207-E273 PolarHBondContact NE-OE2 3.12Å; R207-E273 IonicContact NH2-OE2 3.51Å; R207-E273 PolarHBondContact NH2-OE2 3.33Å; R207-T274 VanDerWaalsContact CB-OG1 3.26Å; R207-T274 WeakPolarHBondContact CB-OG1 3.31Å; R207-L277 HydrophobicContact CG-CD1 3.87Å |
| 208 | N | 98.4 | Very high | 97.4 | Very high | 23 Ų | 23 | 24.6 Ų | 24.6 | 12% | 0.123 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -61.9 | -41.2 | 179.4 | -72.6 | -13.3 | 0 | 0 | 0 | 111.9 | S163 T166 R172 G204 T205 L206 C210 F211 | S163-N208 PolarHBondContact O-ND2 3Å; T166-N208 WeakPolarHBondContact OG1-CB 3.29Å; T166-N208 PolarHBondContact OG1-ND2 2.93Å; T166-N208 VanDerWaalsContact OG1-ND2 3.15Å; R172-N208 WeakPolarHBondContact CD-O 3.4Å; G204-N208 WeakPolarHBondContact O-CB 3.44Å; G204-N208 PolarHBondContact O-N 3.49Å; G204-N208 PolarHBondContact O-ND2 3.49Å; T205-N208 PolarHBondContact O-N 2.9Å; L206-N208 VanDerWaalsContact C-N 3.32Å; L206-N208 PolarHBondContact O-N 3.03Å; N208-C210 PolarHBondContact O-N 3.35Å; N208-F211 WeakPolarHBondContact O-CD2 3.17Å; N208-F211 PolarHBondContact O-N 3.37Å |
| 209 | C | 98.1 | Very high | 97.4 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -60.6 | -31.7 | 174 | -66.1 | 0 | 0 | 0 | 0 | 112.8 | M176 I183 T205 L206 R207 F211 D212 | M176-C209 HydrophobicContact CG-CB 4.26Å; M176-C209 HydrophobicContact SD-CB 3.78Å; I183-C209 HydrophobicContact CD1-CB 4.03Å; T205-C209 PolarHBondContact O-N 3.33Å; T205-C209 VanDerWaalsContact O-N 3.07Å; T205-C209 PolarHBondContact O-SG 3.09Å; L206-C209 WeakPolarHBondContact O-CB 3.29Å; L206-C209 PolarHBondContact O-N 3.12Å; R207-C209 VanDerWaalsContact C-N 3.32Å; R207-C209 PolarHBondContact O-N 3.19Å; C209-F211 PolarHBondContact O-N 3.26Å; C209-D212 PolarHBondContact O-N 3.29Å |
| 210 | C | 97.4 | Very high | 97.4 | Very high | 4 Ų | 4 | 24.4 Ų | 24.4 | 3% | 0.027 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74 | -6.6 | 179 | -63.6 | 0 | 0 | 0 | 0 | 114.3 | L206 R207 N208 D212 H216 T274 L277 | L206-C210 PolarHBondContact O-N 3.02Å; L206-C210 PolarHBondContact O-SG 3.14Å; R207-C210 WeakPolarHBondContact O-CB 3.42Å; R207-C210 PolarHBondContact O-N 3.43Å; N208-C210 PolarHBondContact O-N 3.35Å; C210-D212 VanDerWaalsContact C-N 3.27Å; C210-H216 PolarHBondContact O-NE2 2.91Å; C210-T274 HydrophobicContact CB-CG2 4.46Å; C210-L277 HydrophobicContact CB-CB 3.92Å; C210-L277 HydrophobicContact CB-CD1 4.16Å |
| 211 | F | 95.4 | Very high | 97.3 | Very high | 78 Ų | 78 | 25.5 Ų | 25.5 | 34% | 0.342 | 15% | 0.146 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -26.6 | 167.9 | -73.8 | -69.3 | 0 | 0 | 0 | 112.5 | N208 C209 H213 L277 | N208-F211 WeakPolarHBondContact O-CD2 3.17Å; N208-F211 PolarHBondContact O-N 3.37Å; C209-F211 PolarHBondContact O-N 3.26Å; F211-H213 PolarHBondContact O-N 3.39Å; F211-L277 HydrophobicContact CD1-CD1 4.37Å; F211-L277 HydrophobicContact CD1-CD2 3.92Å; F211-L277 HydrophobicContact CE1-CD1 4.12Å; F211-L277 HydrophobicContact CE1-CD2 3.79Å; F211-L277 HydrophobicContact CE2-CD1 4.36Å; F211-L277 HydrophobicContact CZ-CD1 4.1Å |
| 212 | D | 94.7 | Very high | 97.1 | Very high | 44 Ų | 44 | 32.4 Ų | 32.4 | 24% | 0.235 | 18% | 0.182 | C | C | . | . | trans | -84.8 | 80.5 | 176.8 | -63 | -27.5 | 0 | 0 | 0 | 109.9 | R172 M176 C209 C210 A214 H215 | R172-D212 IonicContact CZ-OD1 3.88Å; R172-D212 IonicContact CZ-OD2 2.69Å; R172-D212 VanDerWaalsContact NE-CG 3.31Å; R172-D212 IonicContact NE-OD1 2.87Å; R172-D212 PolarHBondContact NE-OD1 3.19Å; R172-D212 IonicContact NE-OD2 3.2Å; R172-D212 PolarHBondContact NE-OD2 3.32Å; R172-D212 IonicContact NH2-OD1 3.94Å; R172-D212 PolarHBondContact NH2-OD1 3.27Å; R172-D212 IonicContact NH2-OD2 3.77Å; M176-D212 HydrophobicContact CE-CB 3.77Å; M176-D212 WeakPolarHBondContact CE-OD2 3.39Å; C209-D212 PolarHBondContact O-N 3.29Å; C210-D212 VanDerWaalsContact C-N 3.27Å; D212-A214 PolarHBondContact O-N 2.77Å; D212-H215 PolarHBondContact O-N 3.1Å | ||
| 213 | H | 94.3 | Very high | 97 | Very high | 53 Ų | 53 | 35.2 Ų | 35.2 | 25% | 0.245 | 21% | 0.205 | C | C | . | . | G | 310 helix | trans | -54.3 | -24.8 | -174.4 | 54.9 | 75.5 | 0 | 0 | 0 | 115.2 | F211 H215 H216 T281 N331 E334 | F211-H213 PolarHBondContact O-N 3.39Å; H213-H215 PolarHBondContact O-N 2.73Å; H213-H215 VanDerWaalsContact O-N 3.09Å; H213-H216 WeakPolarHBondContact O-CB 3.35Å; H213-H216 PolarHBondContact O-N 3.07Å; H213-H216 VanDerWaalsContact O-N 3.11Å; H213-T281 HydrophobicContact CB-CG2 3.95Å; H213-N331 PolarHBondContact CE1-ND2 3.47Å; H213-N331 VanDerWaalsContact CE1-ND2 3.25Å; H213-N331 PolarHBondContact ND1-ND2 3.12Å; H213-E334 IonicContact CE1-OE1 3.67Å; H213-E334 PolarHBondContact CE1-OE1 3.18Å; H213-E334 IonicContact NE2-OE1 3.61Å |
| 214 | A | 94.6 | Very high | 96.9 | Very high | 78 Ų | 78 | 35.6 Ų | 35.6 | 65% | 0.645 | 21% | 0.208 | S | C | * | . | G | 310 helix | trans | -57.5 | -22.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | D212 | D212-A214 PolarHBondContact O-N 2.77Š|
| 215 | H | 95.6 | Very high | 96.7 | Very high | 45 Ų | 45 | 38.1 Ų | 38.1 | 21% | 0.208 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -94.9 | -8.6 | -180 | -67.7 | -92.2 | 0 | 0 | 0 | 114 | M176 D212 H213 A217 W218 L219 | M176-H215 HydrophobicContact CE-CB 4.5Å; M176-H215 HydrophobicContact SD-CB 3.8Å; D212-H215 PolarHBondContact O-N 3.1Å; H213-H215 PolarHBondContact O-N 2.73Å; H213-H215 VanDerWaalsContact O-N 3.09Å; H215-A217 PolarHBondContact O-N 3.39Å; H215-W218 HydrophobicContact CB-CE3 4.28Å; H215-W218 AromaticContact ND1-CE3 3.88Å; H215-W218 WeakPolarHBondContact O-CA 3.44Å; H215-W218 WeakPolarHBondContact O-CB 3.08Å; H215-W218 PolarHBondContact O-N 3.49Å; H215-L219 HydrophobicContact CB-CD1 4.26Å; H215-L219 HydrophobicContact CB-CG 4.32Å; H215-L219 WeakPolarHBondContact O-CG 3.44Å; H215-L219 PolarHBondContact O-N 3.38Å |
| 216 | H | 97.1 | Very high | 96.7 | Very high | 2 Ų | 2 | 38.2 Ų | 38.2 | 1% | 0.009 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -55.3 | -47 | -174.7 | -71 | 178.1 | 0 | 0 | 0 | 113.2 | C210 H213 W218 L219 L220 L277 L278 T281 | C210-H216 PolarHBondContact O-NE2 2.91Å; H213-H216 WeakPolarHBondContact O-CB 3.35Å; H213-H216 PolarHBondContact O-N 3.07Å; H213-H216 VanDerWaalsContact O-N 3.11Å; H216-W218 PolarHBondContact O-N 2.84Å; H216-L219 PolarHBondContact O-N 3.34Å; H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 WeakPolarHBondContact O-CG 3.32Å; H216-L220 PolarHBondContact O-N 3.45Å; H216-L277 PolarHBondContact CE1-O 2.92Å; H216-L278 HydrophobicContact CB-CD2 4.32Å; H216-T281 HydrophobicContact CB-CG2 4.42Å; H216-T281 WeakPolarHBondContact ND1-CG2 3.28Å; H216-T281 PolarHBondContact ND1-OG1 3.4Å |
| 217 | A | 97.1 | Very high | 96.7 | Very high | 53 Ų | 53 | 38.3 Ų | 38.3 | 44% | 0.438 | 22% | 0.222 | S | C | . | . | H | α-helix | trans | -61.1 | -33.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | H215 S221 T283 | H215-A217 PolarHBondContact O-N 3.39Å; A217-S221 WeakPolarHBondContact O-CB 2.96Å; A217-S221 PolarHBondContact O-N 2.74Å; A217-T283 HydrophobicContact CB-CG2 3.94Å |
| 218 | W | 97.5 | Very high | 96.6 | Very high | 21 Ų | 21 | 35.3 Ų | 35.3 | 8% | 0.08 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -77.5 | -43.8 | 177.1 | 170.2 | 65.2 | 0 | 0 | 0 | 111.9 | M176 R178 I183 H215 H216 L220 S221 V224 | M176-W218 HydrophobicContact CB-CH2 4.37Å; M176-W218 HydrophobicContact CB-CZ3 3.8Å; M176-W218 HydrophobicContact CG-CZ3 4.13Å; R178-W218 HydrophobicContact CB-CZ2 4.32Å; R178-W218 HydrophobicContact CG-CD2 4.24Å; R178-W218 HydrophobicContact CG-CH2 4.48Å; R178-W218 HydrophobicContact CG-CZ2 3.9Å; I183-W218 HydrophobicContact CG2-CH2 3.77Å; I183-W218 HydrophobicContact CG2-CZ3 4.29Å; H215-W218 HydrophobicContact CB-CE3 4.28Å; H215-W218 AromaticContact ND1-CE3 3.88Å; H215-W218 WeakPolarHBondContact O-CA 3.44Å; H215-W218 WeakPolarHBondContact O-CB 3.08Å; H215-W218 PolarHBondContact O-N 3.49Å; H216-W218 PolarHBondContact O-N 2.84Å; W218-L220 PolarHBondContact O-N 3.18Å; W218-S221 WeakPolarHBondContact O-CB 3.47Å; W218-S221 PolarHBondContact O-N 2.95Å; W218-S221 VanDerWaalsContact O-N 3.1Å; W218-S221 PolarHBondContact O-OG 3.02Å; W218-V224 HydrophobicContact CD2-CG2 3.81Å; W218-V224 VanDerWaalsContact CE2-CG2 3.4Å; W218-V224 HydrophobicContact CE3-CG2 4.17Å; W218-V224 HydrophobicContact CG-CG2 4.42Å; W218-V224 HydrophobicContact CH2-CG2 3.91Å; W218-V224 HydrophobicContact CZ2-CG2 3.48Å; W218-V224 VanDerWaalsContact CZ2-CG2 3.48Å; W218-V224 HydrophobicContact CZ3-CG2 4.21Å |
| 219 | L | 97.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 36.7 Ų | 36.7 | 1% | 0.01 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -59 | -37.2 | 176.6 | -68.7 | 172.1 | 0 | 0 | 0 | 112.1 | I183 H215 H216 V224 V226 | I183-L219 HydrophobicContact CD1-CD2 3.85Å; H215-L219 HydrophobicContact CB-CD1 4.26Å; H215-L219 HydrophobicContact CB-CG 4.32Å; H215-L219 WeakPolarHBondContact O-CG 3.44Å; H215-L219 PolarHBondContact O-N 3.38Å; H216-L219 PolarHBondContact O-N 3.34Å; L219-V224 HydrophobicContact CD2-CG1 4.16Å; L219-V224 WeakPolarHBondContact O-CB 3.41Å; L219-V226 HydrophobicContact CB-CG1 4.14Å; L219-V226 WeakPolarHBondContact O-CB 3.36Å; L219-V226 VanDerWaalsContact O-CG1 3.23Å; L219-V226 WeakPolarHBondContact O-CG1 3.47Å; L219-V226 PolarHBondContact O-N 3.31Å; L219-V226 VanDerWaalsContact O-N 3.14Å |
| 220 | L | 97.9 | Very high | 96.7 | Very high | 17 Ų | 17 | 36.7 Ų | 36.7 | 9% | 0.089 | 22% | 0.216 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86 | -6.4 | 178.5 | -69.1 | 170.3 | 0 | 0 | 0 | 114.2 | H216 W218 V226 L227 L278 T287 L288 | H216-L220 WeakPolarHBondContact O-CB 3.38Å; H216-L220 WeakPolarHBondContact O-CG 3.32Å; H216-L220 PolarHBondContact O-N 3.45Å; W218-L220 PolarHBondContact O-N 3.18Å; L220-V226 HydrophobicContact CD2-CG1 4.2Å; L220-L227 HydrophobicContact CD2-CB 4.13Å; L220-L227 HydrophobicContact CD2-CD1 4.47Å; L220-L278 HydrophobicContact CD1-CD2 4.42Å; L220-L278 HydrophobicContact CD2-CD1 4.19Å; L220-L278 HydrophobicContact CG-CD2 4.32Å; L220-T287 HydrophobicContact CB-CG2 4.22Å; L220-T287 HydrophobicContact CD1-CG2 4.47Å; L220-L288 HydrophobicContact CD1-CD1 4.01Å; L220-L288 HydrophobicContact CD2-CD1 3.93Å |
| 221 | S | 96.8 | Very high | 96.7 | Very high | 40 Ų | 40 | 36.5 Ų | 36.5 | 28% | 0.28 | 21% | 0.214 | S | C | . | . | S | Bend | trans | -82.3 | 163.4 | 176.9 | 73.9 | 0 | 0 | 0 | 0 | 111.6 | A217 W218 A223 V224 D225 | A217-S221 WeakPolarHBondContact O-CB 2.96Å; A217-S221 PolarHBondContact O-N 2.74Å; W218-S221 WeakPolarHBondContact O-CB 3.47Å; W218-S221 PolarHBondContact O-N 2.95Å; W218-S221 VanDerWaalsContact O-N 3.1Å; W218-S221 PolarHBondContact O-OG 3.02Å; S221-A223 PolarHBondContact O-N 3.04Å; S221-A223 PolarHBondContact OG-N 2.91Å; S221-V224 PolarHBondContact O-N 2.88Å; S221-D225 PolarHBondContact O-N 3.22Å |
| 222 | D | 94.9 | Very high | 96.8 | Very high | 149 Ų | 149 | 34.2 Ų | 34.2 | 80% | 0.797 | 21% | 0.205 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.1 | -15 | 175.9 | -54.1 | -23.3 | 0 | 0 | 0 | 114.1 | V224 | D222-V224 VanDerWaalsContact C-N 3.34Š|
| 223 | A | 95.4 | Very high | 97 | Very high | 60 Ų | 60 | 32.3 Ų | 32.3 | 50% | 0.496 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -24.2 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.9 | Q184 S221 | Q184-A223 PolarHBondContact NE2-O 2.9Å; Q184-A223 VanDerWaalsContact NE2-O 3.1Å; S221-A223 PolarHBondContact O-N 3.04Å; S221-A223 PolarHBondContact OG-N 2.91Å |
| 224 | V | 96.7 | Very high | 97.2 | Very high | 8 Ų | 8 | 29.8 Ų | 29.8 | 5% | 0.048 | 18% | 0.184 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -122.9 | -41.5 | 177.1 | -179.4 | 0 | 0 | 0 | 0 | 110.3 | Q184 L187 W218 L219 S221 D222 V226 | Q184-V224 HydrophobicContact CG-CG1 4.31Å; L187-V224 HydrophobicContact CD1-CG1 4.26Å; L187-V224 WeakPolarHBondContact CD1-O 3.12Å; W218-V224 HydrophobicContact CD2-CG2 3.81Å; W218-V224 VanDerWaalsContact CE2-CG2 3.4Å; W218-V224 HydrophobicContact CE3-CG2 4.17Å; W218-V224 HydrophobicContact CG-CG2 4.42Å; W218-V224 HydrophobicContact CH2-CG2 3.91Å; W218-V224 HydrophobicContact CZ2-CG2 3.48Å; W218-V224 VanDerWaalsContact CZ2-CG2 3.48Å; W218-V224 HydrophobicContact CZ3-CG2 4.21Å; L219-V224 HydrophobicContact CD2-CG1 4.16Å; L219-V224 WeakPolarHBondContact O-CB 3.41Å; S221-V224 PolarHBondContact O-N 2.88Å; D222-V224 VanDerWaalsContact C-N 3.34Å; V224-V226 HydrophobicContact CG1-CB 4.18Å; V224-V226 PolarHBondContact O-N 3.09Å |
| 225 | D | 96 | Very high | 97.4 | Very high | 56 Ų | 56 | 26.2 Ų | 26.2 | 30% | 0.299 | 15% | 0.154 | S | C | . | . | trans | 49 | 54.4 | -178.2 | -162.3 | 22.6 | 0 | 0 | 0 | 112.1 | S221 L227 P228 F229 | S221-D225 PolarHBondContact O-N 3.22Å; D225-L227 VanDerWaalsContact C-N 3.26Å; D225-L227 PolarHBondContact O-N 3.41Å; D225-P228 WeakPolarHBondContact O-CD 3.48Å; D225-P228 VanDerWaalsContact OD1-CD 3.29Å; D225-P228 WeakPolarHBondContact OD1-CD 3.2Å; D225-F229 VanDerWaalsContact O-CD2 3.29Å; D225-F229 WeakPolarHBondContact O-CD2 3.45Å | ||
| 226 | V | 98 | Very high | 97.4 | Very high | 2 Ų | 2 | 24.3 Ų | 24.3 | 1% | 0.012 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -69 | -26.2 | -175.5 | 75.3 | 0 | 0 | 0 | 0 | 112.7 | L187 L219 L220 V224 F229 L230 L278 | L187-V226 HydrophobicContact CD2-CG2 3.86Å; L219-V226 HydrophobicContact CB-CG1 4.14Å; L219-V226 WeakPolarHBondContact O-CB 3.36Å; L219-V226 VanDerWaalsContact O-CG1 3.23Å; L219-V226 WeakPolarHBondContact O-CG1 3.47Å; L219-V226 PolarHBondContact O-N 3.31Å; L219-V226 VanDerWaalsContact O-N 3.14Å; L220-V226 HydrophobicContact CD2-CG1 4.2Å; V224-V226 HydrophobicContact CG1-CB 4.18Å; V224-V226 PolarHBondContact O-N 3.09Å; V226-F229 PolarHBondContact O-N 3.46Å; V226-L230 HydrophobicContact CG1-CD1 4.24Å; V226-L230 HydrophobicContact CG2-CD1 4.01Å; V226-L230 HydrophobicContact CG2-CG 4.12Å; V226-L230 PolarHBondContact O-N 2.97Å; V226-L278 HydrophobicContact CG1-CD1 4.33Å |
| 227 | L | 97.9 | Very high | 97.3 | Very high | 4 Ų | 4 | 26.8 Ų | 26.8 | 2% | 0.021 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -63.6 | -46.6 | -165.6 | -176.1 | 63.2 | 0 | 0 | 0 | 113.4 | L220 D225 F229 L230 L231 L275 L288 K291 V293 | L220-L227 HydrophobicContact CD2-CB 4.13Å; L220-L227 HydrophobicContact CD2-CD1 4.47Å; D225-L227 VanDerWaalsContact C-N 3.26Å; D225-L227 PolarHBondContact O-N 3.41Å; L227-F229 VanDerWaalsContact C-N 3.28Å; L227-F229 PolarHBondContact O-N 3.23Å; L227-L230 PolarHBondContact O-N 2.93Å; L227-L231 HydrophobicContact CD1-CD1 3.72Å; L227-L231 HydrophobicContact CD1-CD2 4.49Å; L227-L231 HydrophobicContact CD1-CG 3.95Å; L227-L231 HydrophobicContact CD2-CD1 4.29Å; L227-L231 HydrophobicContact CG-CD1 3.63Å; L227-L231 HydrophobicContact CG-CG 4.27Å; L227-L231 WeakPolarHBondContact O-CG 3.27Å; L227-L231 PolarHBondContact O-N 3.03Å; L227-L231 VanDerWaalsContact O-N 3.07Å; L227-L275 HydrophobicContact CD1-CD2 3.65Å; L227-L288 HydrophobicContact CD1-CD1 4.37Å; L227-L288 HydrophobicContact CD1-CG 4.14Å; L227-K291 HydrophobicContact CD2-CB 3.7Å; L227-K291 HydrophobicContact CD2-CG 3.89Å; L227-V293 HydrophobicContact CD1-CG2 4.19Å; L227-V293 HydrophobicContact CD2-CG2 4.16Å |
| 228 | P | 97.9 | Very high | 97.1 | Very high | 2 Ų | 2 | 27.3 Ų | 27.3 | 1% | 0.013 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -55.7 | -41.8 | 175.1 | -24 | 33.7 | 0 | 0 | 0 | 112.9 | D225 L230 L231 L232 P249 D251 | D225-P228 WeakPolarHBondContact O-CD 3.48Å; D225-P228 VanDerWaalsContact OD1-CD 3.29Å; D225-P228 WeakPolarHBondContact OD1-CD 3.2Å; P228-L230 VanDerWaalsContact C-N 3.27Å; P228-L230 PolarHBondContact O-N 2.97Å; P228-L231 PolarHBondContact O-N 3.44Å; P228-L232 VanDerWaalsContact O-CB 3.22Å; P228-L232 WeakPolarHBondContact O-CB 3.5Å; P228-L232 PolarHBondContact O-N 3.2Å; P228-P249 HydrophobicContact CB-CB 4.43Å; P228-P249 HydrophobicContact CG-CB 3.75Å; P228-P249 HydrophobicContact CG-CG 4.28Å; P228-D251 HydrophobicContact CB-CB 4.32Å |
| 229 | F | 98.4 | Very high | 96.8 | Very high | 53 Ų | 53 | 35.4 Ų | 35.4 | 23% | 0.232 | 20% | 0.195 | C | C | . | . | H | α-helix | trans | -69.3 | -22.4 | -178.1 | -63.4 | -85.2 | 0 | 0 | 0 | 114.1 | L187 T190 D225 V226 L227 P233 | L187-F229 HydrophobicContact CB-CB 4.32Å; L187-F229 HydrophobicContact CB-CD1 3.72Å; L187-F229 HydrophobicContact CB-CD2 3.75Å; L187-F229 HydrophobicContact CB-CE1 3.85Å; L187-F229 HydrophobicContact CB-CE2 3.89Å; L187-F229 HydrophobicContact CB-CG 3.66Å; L187-F229 HydrophobicContact CB-CZ 3.94Å; L187-F229 HydrophobicContact CD1-CD2 3.77Å; L187-F229 HydrophobicContact CD1-CE2 3.77Å; L187-F229 HydrophobicContact CD1-CG 4.48Å; L187-F229 HydrophobicContact CD1-CZ 4.48Å; L187-F229 HydrophobicContact CD2-CB 4.4Å; L187-F229 HydrophobicContact CD2-CD2 4.38Å; L187-F229 HydrophobicContact CD2-CG 4.45Å; L187-F229 HydrophobicContact CG-CD2 4.17Å; L187-F229 HydrophobicContact CG-CE2 4.42Å; L187-F229 HydrophobicContact CG-CG 4.41Å; L187-F229 WeakPolarHBondContact O-CD1 3.35Å; T190-F229 WeakPolarHBondContact CB-O 3.45Å; T190-F229 HydrophobicContact CG2-CB 4.27Å; T190-F229 PolarHBondContact OG1-O 3.31Å; D225-F229 VanDerWaalsContact O-CD2 3.29Å; D225-F229 WeakPolarHBondContact O-CD2 3.45Å; V226-F229 PolarHBondContact O-N 3.46Å; L227-F229 VanDerWaalsContact C-N 3.28Å; L227-F229 PolarHBondContact O-N 3.23Å; F229-P233 VanDerWaalsContact O-CD 3.31Å; F229-P233 WeakPolarHBondContact O-CD 3.37Å; F229-P233 WeakPolarHBondContact O-CG 3.47Å |
| 230 | L | 98.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 36.6 Ų | 36.6 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -86 | -33.8 | 174.1 | -64.1 | 175.5 | 0 | 0 | 0 | 112.3 | L206 V226 L227 P228 L271 T274 L275 L278 | L206-L230 HydrophobicContact CD1-CD2 4.14Å; V226-L230 HydrophobicContact CG1-CD1 4.24Å; V226-L230 HydrophobicContact CG2-CD1 4.01Å; V226-L230 HydrophobicContact CG2-CG 4.12Å; V226-L230 PolarHBondContact O-N 2.97Å; L227-L230 PolarHBondContact O-N 2.93Å; P228-L230 VanDerWaalsContact C-N 3.27Å; P228-L230 PolarHBondContact O-N 2.97Å; L230-L271 HydrophobicContact CB-CD2 4.45Å; L230-L271 HydrophobicContact CD2-CD2 3.83Å; L230-T274 HydrophobicContact CD1-CG2 3.81Å; L230-T274 HydrophobicContact CD2-CG2 3.92Å; L230-L275 HydrophobicContact CB-CD2 4.02Å; L230-L275 HydrophobicContact CB-CG 4.44Å; L230-L275 HydrophobicContact CD1-CD2 4.1Å; L230-L278 HydrophobicContact CD1-CD1 3.68Å |
| 231 | L | 98.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -86.6 | -35.6 | -176.2 | -67.4 | 172.9 | 0 | 0 | 0 | 113.2 | L227 P228 P233 L234 A235 L252 L275 V293 | L227-L231 HydrophobicContact CD1-CD1 3.72Å; L227-L231 HydrophobicContact CD1-CD2 4.49Å; L227-L231 HydrophobicContact CD1-CG 3.95Å; L227-L231 HydrophobicContact CD2-CD1 4.29Å; L227-L231 HydrophobicContact CG-CD1 3.63Å; L227-L231 HydrophobicContact CG-CG 4.27Å; L227-L231 WeakPolarHBondContact O-CG 3.27Å; L227-L231 PolarHBondContact O-N 3.03Å; L227-L231 VanDerWaalsContact O-N 3.07Å; P228-L231 PolarHBondContact O-N 3.44Å; L231-P233 VanDerWaalsContact C-CD 3.46Å; L231-L234 CarbonylContact O-C 3.56Å; L231-L234 WeakPolarHBondContact O-CA 3.42Å; L231-L234 WeakPolarHBondContact O-CB 3.17Å; L231-L234 PolarHBondContact O-N 3.45Å; L231-A235 PolarHBondContact O-N 2.82Å; L231-L252 HydrophobicContact CB-CD1 3.66Å; L231-L252 HydrophobicContact CB-CD2 3.88Å; L231-L252 HydrophobicContact CB-CG 4.41Å; L231-L252 HydrophobicContact CD1-CD1 3.66Å; L231-L252 HydrophobicContact CG-CD1 4.34Å; L231-L275 HydrophobicContact CD2-CD1 3.71Å; L231-L275 HydrophobicContact CD2-CD2 4.09Å; L231-L275 HydrophobicContact CG-CD2 4.49Å; L231-V293 HydrophobicContact CD1-CG2 3.79Å; L231-V293 HydrophobicContact CD2-CG1 3.71Å; L231-V293 HydrophobicContact CD2-CG2 4.23Å |
| 232 | L | 97.9 | Very high | 96.5 | Very high | 29 Ų | 29 | 43.9 Ų | 43.9 | 15% | 0.152 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.4 | -38 | -175.1 | -166.2 | 58.6 | 0 | 0 | 0 | 113.1 | Q191 P228 L234 A235 L252 L255 K259 | Q191-L232 VanDerWaalsContact OE1-CG 3.31Å; P228-L232 VanDerWaalsContact O-CB 3.22Å; P228-L232 WeakPolarHBondContact O-CB 3.5Å; P228-L232 PolarHBondContact O-N 3.2Å; L232-L234 PolarHBondContact O-N 2.69Å; L232-A235 PolarHBondContact O-N 2.87Å; L232-L252 HydrophobicContact CB-CD2 4.33Å; L232-L252 HydrophobicContact CD1-CD2 3.98Å; L232-L252 HydrophobicContact CD1-CG 4.4Å; L232-L255 HydrophobicContact CD1-CD1 4.22Å; L232-L255 HydrophobicContact CD1-CD2 3.73Å; L232-K259 VanDerWaalsContact O-CE 3.27Å; L232-K259 WeakPolarHBondContact O-CE 3.31Å; L232-K259 PolarHBondContact O-NZ 3.08Å |
| 233 | P | 98.1 | Very high | 96.4 | Very high | 5 Ų | 5 | 44.5 Ų | 44.5 | 3% | 0.032 | 23% | 0.234 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -65.8 | -21.7 | 171.3 | -12.2 | 23.6 | 0 | 0 | 0 | 113.9 | Q191 F229 L231 R261 E262 L271 | Q191-P233 HydrophobicContact CG-CB 4.45Å; Q191-P233 HydrophobicContact CG-CG 3.79Å; F229-P233 VanDerWaalsContact O-CD 3.31Å; F229-P233 WeakPolarHBondContact O-CD 3.37Å; F229-P233 WeakPolarHBondContact O-CG 3.47Å; L231-P233 VanDerWaalsContact C-CD 3.46Å; P233-R261 CarbonylContact O-C 3.53Å; P233-R261 WeakPolarHBondContact O-CA 3.21Å; P233-E262 HydrophobicContact CB-CB 4.14Å; P233-E262 PolarHBondContact O-N 3.11Å; P233-L271 HydrophobicContact CB-CD1 3.63Å; P233-L271 HydrophobicContact CG-CD1 3.96Å; P233-L271 HydrophobicContact CG-CD2 4.5Å |
| 234 | L | 98.4 | Very high | 96.4 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -89.7 | -18.7 | 178.9 | -61 | -177 | 0 | 0 | 0 | 113.2 | L231 L232 R261 R268 L271 L272 L275 I296 L300 | L231-L234 CarbonylContact O-C 3.56Å; L231-L234 WeakPolarHBondContact O-CA 3.42Å; L231-L234 WeakPolarHBondContact O-CB 3.17Å; L231-L234 PolarHBondContact O-N 3.45Å; L232-L234 PolarHBondContact O-N 2.69Å; L234-R261 WeakPolarHBondContact O-CD 3.29Å; L234-R261 PolarHBondContact O-NE 3.41Å; L234-R268 HydrophobicContact CD2-CB 4.15Å; L234-R268 HydrophobicContact CD2-CG 4.19Å; L234-L271 HydrophobicContact CD1-CB 4.05Å; L234-L271 HydrophobicContact CD2-CB 3.97Å; L234-L271 HydrophobicContact CD2-CD1 3.76Å; L234-L271 HydrophobicContact CG-CB 4.14Å; L234-L271 HydrophobicContact CG-CD1 4.08Å; L234-L272 HydrophobicContact CD1-CD2 3.9Å; L234-L272 HydrophobicContact CD1-CG 4.19Å; L234-L275 HydrophobicContact CD1-CD1 3.76Å; L234-I296 HydrophobicContact CB-CG2 4.36Å; L234-L300 HydrophobicContact CB-CD2 4.15Å; L234-L300 HydrophobicContact CD1-CD2 4.29Å; L234-L300 HydrophobicContact CD2-CD2 3.92Å; L234-L300 HydrophobicContact CG-CD2 4.34Å |
| 235 | A | 97.9 | Very high | 96.2 | Very high | 2 Ų | 2 | 43.2 Ų | 43.2 | 2% | 0.017 | 22% | 0.217 | C | C | . | . | trans | -79.3 | 141.5 | -179.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L231 L232 L252 L255 K259 R261 I296 | L231-A235 PolarHBondContact O-N 2.82Å; L232-A235 PolarHBondContact O-N 2.87Å; A235-L252 HydrophobicContact CB-CD2 3.79Å; A235-L255 HydrophobicContact CB-CD1 3.44Å; A235-L255 VanDerWaalsContact CB-CD1 3.44Å; A235-K259 PolarHBondContact O-NZ 2.9Å; A235-R261 WeakPolarHBondContact O-CG 3.35Å; A235-I296 HydrophobicContact CB-CD1 4.15Å; A235-I296 HydrophobicContact CB-CG2 4.26Å | ||
| 236 | G | 96.3 | Very high | 96.1 | Very high | 5 Ų | 5 | 46.7 Ų | 46.7 | 5% | 0.052 | 23% | 0.232 | C | C | . | . | trans | -115.3 | -165.8 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E238 | G236-E238 VanDerWaalsContact C-N 3.27Å; G236-E238 WeakPolarHBondContact CA-OE2 3.28Å; G236-E238 PolarHBondContact O-N 3.09Å | ||
| 237 | P | 95.3 | Very high | 95.9 | Very high | 54 Ų | 54 | 47.7 Ų | 47.7 | 35% | 0.351 | 24% | 0.243 | S | C | . | . | S | Bend | trans | -87.9 | 13.6 | -175 | 37 | -34.9 | 0 | 0 | 0 | 113.2 | E257 K259 | P237-E257 VanDerWaalsContact CB-O 3.28Å; P237-E257 WeakPolarHBondContact CB-O 3.38Å; P237-K259 WeakPolarHBondContact CD-O 3.46Å |
| 238 | E | 93.8 | Very high | 95.8 | Very high | 64 Ų | 64 | 47.8 Ų | 47.8 | 30% | 0.299 | 24% | 0.243 | S | C | . | . | trans | -67.3 | 139.6 | -176.5 | -62.6 | 79.1 | -174.7 | 0 | 0 | 112.3 | G236 L240 R261 E299 | G236-E238 VanDerWaalsContact C-N 3.27Å; G236-E238 WeakPolarHBondContact CA-OE2 3.28Å; G236-E238 PolarHBondContact O-N 3.09Å; E238-L240 PolarHBondContact O-N 3.23Å; E238-R261 IonicContact OE1-CZ 3.56Å; E238-R261 VanDerWaalsContact OE1-CZ 3.23Å; E238-R261 IonicContact OE1-NH1 2.74Å; E238-R261 PolarHBondContact OE1-NH1 3.13Å; E238-R261 IonicContact OE1-NH2 3.77Å; E238-R261 PolarHBondContact OE1-NH2 3.12Å; E238-R261 IonicContact OE2-CZ 3.33Å; E238-R261 IonicContact OE2-NH1 3.9Å; E238-R261 IonicContact OE2-NH2 2.65Å; E238-R261 PolarHBondContact OE2-NH2 3.34Å; E238-E299 HydrophobicContact CB-CB 4.48Å; E238-E299 HydrophobicContact CB-CG 4.18Å; E238-E299 HydrophobicContact CG-CB 4.18Å; E238-E299 HydrophobicContact CG-CG 4.29Å | ||
| 239 | E | 91.1 | Very high | 95.7 | Very high | 192 Ų | 192 | 48.1 Ų | 48.1 | 90% | 0.897 | 25% | 0.245 | S | C | * | . | trans | -74.9 | 109.1 | 172.2 | -67.4 | -175.3 | 174 | 0 | 0 | 110.3 | ||||
| 240 | L | 94 | Very high | 95.5 | Very high | 26 Ų | 26 | 51.2 Ų | 51.2 | 14% | 0.136 | 27% | 0.268 | C | S | . | . | trans | -84.3 | 156.2 | 170.1 | -57.8 | 179 | 0 | 0 | 0 | 110.7 | E238 E244 N245 L248 P295 I296 E299 | E238-L240 PolarHBondContact O-N 3.23Å; L240-E244 HydrophobicContact CB-CB 4.07Å; L240-N245 WeakPolarHBondContact CB-ND2 3.34Å; L240-N245 PolarHBondContact O-ND2 2.73Å; L240-L248 HydrophobicContact CD1-CD1 3.54Å; L240-P295 HydrophobicContact CD1-CB 4.37Å; L240-P295 HydrophobicContact CD2-CB 4.14Å; L240-I296 HydrophobicContact CD1-CD1 4Å; L240-E299 HydrophobicContact CD2-CG 3.98Å | ||
| 241 | T | 95.9 | Very high | 95.3 | Very high | 77 Ų | 77 | 55.6 Ų | 55.6 | 47% | 0.472 | 29% | 0.291 | S | S | . | . | trans | -64.5 | 162.2 | 175.3 | 72.1 | 0 | 0 | 0 | 0 | 111.2 | E243 E244 N245 | T241-E243 VanDerWaalsContact C-N 3.33Å; T241-E243 PolarHBondContact O-N 3.17Å; T241-E244 PolarHBondContact N-OE2 3.19Å; T241-E244 VanDerWaalsContact N-OE2 3.15Å; T241-E244 PolarHBondContact O-N 2.9Å; T241-E244 WeakPolarHBondContact OG1-CB 3.34Å; T241-E244 VanDerWaalsContact OG1-CG 3.23Å; T241-E244 WeakPolarHBondContact OG1-CG 3.26Å; T241-E244 PolarHBondContact OG1-N 2.85Å; T241-E244 VanDerWaalsContact OG1-N 3.16Å; T241-N245 PolarHBondContact O-N 3.35Å; T241-N245 PolarHBondContact O-ND2 3.26Å | ||
| 242 | E | 94.8 | Very high | 95.2 | Very high | 134 Ų | 134 | 55.7 Ų | 55.7 | 63% | 0.626 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -59.1 | -45.5 | 177.2 | -169.8 | 171.2 | -163.3 | 0 | 0 | 111.2 | E244 N245 E246 | E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.42Å; E242-N245 PolarHBondContact O-N 3.28Å; E242-E246 WeakPolarHBondContact O-CG 3.32Å; E242-E246 PolarHBondContact O-N 3.1Å |
| 243 | E | 94.3 | Very high | 95.1 | Very high | 162 Ų | 162 | 57 Ų | 57 | 76% | 0.757 | 30% | 0.298 | S | S | * | . | H | α-helix | trans | -61.7 | -38.7 | 176.2 | -62.6 | 179.8 | -179.5 | 0 | 0 | 112.7 | T241 N292 | T241-E243 VanDerWaalsContact C-N 3.33Å; T241-E243 PolarHBondContact O-N 3.17Å; E243-N292 PolarHBondContact O-ND2 3.48Å |
| 244 | E | 94.3 | Very high | 94.9 | Very high | 31 Ų | 31 | 63.8 Ų | 63.8 | 15% | 0.145 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -65.8 | -46.7 | 175.8 | -75.1 | 175.8 | 152 | 0 | 0 | 110.7 | L240 T241 E242 G247 N292 P295 R298 | L240-E244 HydrophobicContact CB-CB 4.07Å; T241-E244 PolarHBondContact N-OE2 3.19Å; T241-E244 VanDerWaalsContact N-OE2 3.15Å; T241-E244 PolarHBondContact O-N 2.9Å; T241-E244 WeakPolarHBondContact OG1-CB 3.34Å; T241-E244 VanDerWaalsContact OG1-CG 3.23Å; T241-E244 WeakPolarHBondContact OG1-CG 3.26Å; T241-E244 PolarHBondContact OG1-N 2.85Å; T241-E244 VanDerWaalsContact OG1-N 3.16Å; E242-E244 VanDerWaalsContact C-N 3.34Å; E242-E244 PolarHBondContact O-N 3.42Å; E244-G247 PolarHBondContact O-N 2.92Å; E244-N292 PolarHBondContact O-ND2 2.86Å; E244-P295 HydrophobicContact CB-CB 4.43Å; E244-P295 HydrophobicContact CB-CG 4.12Å; E244-P295 HydrophobicContact CG-CB 4.27Å; E244-P295 HydrophobicContact CG-CG 3.71Å; E244-R298 IonicContact OE1-CZ 3.99Å; E244-R298 VanDerWaalsContact OE1-CZ 3.28Å; E244-R298 IonicContact OE1-NH1 3.43Å; E244-R298 PolarHBondContact OE1-NH1 2.74Å; E244-R298 IonicContact OE1-NH2 3.54Å; E244-R298 PolarHBondContact OE1-NH2 3.2Å; E244-R298 IonicContact OE2-NH2 3.61Å; E244-R298 PolarHBondContact OE2-NH2 3.38Å |
| 245 | N | 93 | Very high | 94.7 | Very high | 10 Ų | 10 | 65.9 Ų | 65.9 | 5% | 0.053 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -61.8 | -46.5 | 178.5 | -85.6 | -68.8 | 0 | 0 | 0 | 112.6 | L240 T241 E242 G247 L248 Q253 Y254 | L240-N245 WeakPolarHBondContact CB-ND2 3.34Å; L240-N245 PolarHBondContact O-ND2 2.73Å; T241-N245 PolarHBondContact O-N 3.35Å; T241-N245 PolarHBondContact O-ND2 3.26Å; E242-N245 PolarHBondContact O-N 3.28Å; N245-G247 PolarHBondContact O-N 3.38Å; N245-G247 VanDerWaalsContact O-N 3.15Å; N245-L248 WeakPolarHBondContact O-CB 3.4Å; N245-L248 PolarHBondContact O-N 3.42Å; N245-Q253 VanDerWaalsContact O-CG 3.32Å; N245-Q253 WeakPolarHBondContact O-CG 3.46Å; N245-Q253 PolarHBondContact O-NE2 3.4Å; N245-Y254 HydrophobicContact CB-CE1 4.21Å; N245-Y254 HydrophobicContact CB-CE2 4.35Å; N245-Y254 PolarHBondContact OD1-N 2.88Å |
| 246 | E | 93.3 | Very high | 94.6 | Very high | 129 Ų | 129 | 69.2 Ų | 69.2 | 60% | 0.603 | 36% | 0.356 | S | S | * | . | H | α-helix | trans | -59.2 | -30.5 | -177.2 | -76.7 | -175 | 168 | 0 | 0 | 113 | E242 | E242-E246 WeakPolarHBondContact O-CG 3.32Å; E242-E246 PolarHBondContact O-N 3.1Å |
| 247 | G | 93.8 | Very high | 94.5 | Very high | 23 Ų | 23 | 77.5 Ų | 77.5 | 24% | 0.237 | 39% | 0.393 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -84.9 | -10 | 177.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | E244 N245 K291 N292 | E244-G247 PolarHBondContact O-N 2.92Å; N245-G247 PolarHBondContact O-N 3.38Å; N245-G247 VanDerWaalsContact O-N 3.15Å; G247-K291 CarbonylContact O-C 3.12Å; G247-K291 VanDerWaalsContact O-CA 3.24Å; G247-K291 WeakPolarHBondContact O-CA 3.26Å; G247-N292 WeakPolarHBondContact CA-ND2 3.36Å |
| 248 | L | 96.2 | Very high | 94.5 | Very high | 6 Ų | 6 | 80.8 Ų | 80.8 | 3% | 0.031 | 41% | 0.408 | C | S | . | . | S | Bend | trans | -75 | 156 | 177.3 | -72.9 | 172.2 | 0 | 0 | 0 | 111.8 | L240 N245 L252 Q253 N292 I296 | L240-L248 HydrophobicContact CD1-CD1 3.54Å; N245-L248 WeakPolarHBondContact O-CB 3.4Å; N245-L248 PolarHBondContact O-N 3.42Å; L248-L252 HydrophobicContact CB-CB 4.16Å; L248-L252 HydrophobicContact CD1-CB 4.26Å; L248-Q253 HydrophobicContact CB-CG 4.11Å; L248-Q253 PolarHBondContact O-NE2 2.9Å; L248-N292 HydrophobicContact CD2-CB 4.2Å; L248-N292 WeakPolarHBondContact CD2-O 3.48Å; L248-N292 HydrophobicContact CG-CB 4.4Å; L248-I296 HydrophobicContact CD1-CD1 4.11Å; L248-I296 HydrophobicContact CD2-CD1 4.21Å; L248-I296 HydrophobicContact CD2-CG1 3.81Å |
| 249 | P | 96.2 | Very high | 94.6 | Very high | 8 Ų | 8 | 78.9 Ų | 78.9 | 5% | 0.052 | 40% | 0.399 | C | S | . | . | trans | -56.1 | 148 | 163.7 | -18 | 29.5 | 0 | 0 | 0 | 111.4 | P228 D251 L252 K291 | P228-P249 HydrophobicContact CB-CB 4.43Å; P228-P249 HydrophobicContact CG-CB 3.75Å; P228-P249 HydrophobicContact CG-CG 4.28Å; P249-D251 VanDerWaalsContact C-N 3.25Å; P249-D251 PolarHBondContact O-N 2.95Å; P249-D251 VanDerWaalsContact O-N 3.14Å; P249-L252 HydrophobicContact CB-CD1 4.04Å; P249-L252 HydrophobicContact CG-CD1 3.74Å; P249-L252 WeakPolarHBondContact O-CB 3.32Å; P249-L252 PolarHBondContact O-N 3.48Å; P249-K291 HydrophobicContact CG-CB 4.45Å; P249-K291 HydrophobicContact CG-CD 4.4Å | ||
| 250 | V | 94.6 | Very high | 94.8 | Very high | 118 Ų | 118 | 76.4 Ų | 76.4 | 72% | 0.715 | 39% | 0.387 | S | S | * | . | G | 310 helix | trans | -53.9 | -40.8 | -171.2 | 177.4 | 0 | 0 | 0 | 0 | 112.6 | L252 Q253 | V250-L252 PolarHBondContact O-N 2.97Å; V250-L252 VanDerWaalsContact O-N 3.15Å; V250-Q253 PolarHBondContact O-N 2.93Å |
| 251 | D | 93.9 | Very high | 95 | Very high | 92 Ų | 92 | 76.1 Ų | 76.1 | 49% | 0.492 | 38% | 0.384 | S | S | . | . | G | 310 helix | trans | -68.2 | -11.8 | -178.7 | -56.5 | -46.3 | 0 | 0 | 0 | 114.3 | P228 P249 L255 | P228-D251 HydrophobicContact CB-CB 4.32Å; P249-D251 VanDerWaalsContact C-N 3.25Å; P249-D251 PolarHBondContact O-N 2.95Å; P249-D251 VanDerWaalsContact O-N 3.14Å; D251-L255 WeakPolarHBondContact O-CD2 3.44Å |
| 252 | L | 96.3 | Very high | 95.1 | Very high | 2 Ų | 2 | 73.1 Ų | 73.1 | 1% | 0.01 | 37% | 0.365 | C | S | . | . | G | 310 helix | trans | -104.7 | -5.2 | 179.5 | -74.1 | 145.7 | 0 | 0 | 0 | 113.1 | L231 L232 A235 L248 P249 V250 I296 | L231-L252 HydrophobicContact CB-CD1 3.66Å; L231-L252 HydrophobicContact CB-CD2 3.88Å; L231-L252 HydrophobicContact CB-CG 4.41Å; L231-L252 HydrophobicContact CD1-CD1 3.66Å; L231-L252 HydrophobicContact CG-CD1 4.34Å; L232-L252 HydrophobicContact CB-CD2 4.33Å; L232-L252 HydrophobicContact CD1-CD2 3.98Å; L232-L252 HydrophobicContact CD1-CG 4.4Å; A235-L252 HydrophobicContact CB-CD2 3.79Å; L248-L252 HydrophobicContact CB-CB 4.16Å; L248-L252 HydrophobicContact CD1-CB 4.26Å; P249-L252 HydrophobicContact CB-CD1 4.04Å; P249-L252 HydrophobicContact CG-CD1 3.74Å; P249-L252 WeakPolarHBondContact O-CB 3.32Å; P249-L252 PolarHBondContact O-N 3.48Å; V250-L252 PolarHBondContact O-N 2.97Å; V250-L252 VanDerWaalsContact O-N 3.15Å; L252-I296 HydrophobicContact CD2-CD1 4.33Å |
| 253 | Q | 95.9 | Very high | 95.2 | Very high | 58 Ų | 58 | 70.7 Ų | 70.7 | 27% | 0.271 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -80.6 | 135 | -179 | -57.7 | -171.8 | 1.3 | 0 | 0 | 110.3 | N245 L248 V250 L255 | N245-Q253 VanDerWaalsContact O-CG 3.32Å; N245-Q253 WeakPolarHBondContact O-CG 3.46Å; N245-Q253 PolarHBondContact O-NE2 3.4Å; L248-Q253 HydrophobicContact CB-CG 4.11Å; L248-Q253 PolarHBondContact O-NE2 2.9Å; V250-Q253 PolarHBondContact O-N 2.93Å; Q253-L255 PolarHBondContact O-N 3.34Å |
| 254 | Y | 93.8 | Very high | 95.4 | Very high | 147 Ų | 147 | 65 Ų | 65 | 58% | 0.576 | 34% | 0.342 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 51 | 52.5 | 172.8 | -51.1 | -74.7 | 0 | 0 | 0 | 113.7 | N245 | N245-Y254 HydrophobicContact CB-CE1 4.21Å; N245-Y254 HydrophobicContact CB-CE2 4.35Å; N245-Y254 PolarHBondContact OD1-N 2.88Å |
| 255 | L | 95.3 | Very high | 95.5 | Very high | 44 Ų | 44 | 65.6 Ų | 65.6 | 23% | 0.23 | 35% | 0.348 | C | S | . | . | trans | -60.1 | 147.9 | 177.4 | -63.2 | 176.5 | 0 | 0 | 0 | 111.3 | L232 A235 D251 Q253 K259 | L232-L255 HydrophobicContact CD1-CD1 4.22Å; L232-L255 HydrophobicContact CD1-CD2 3.73Å; A235-L255 HydrophobicContact CB-CD1 3.44Å; A235-L255 VanDerWaalsContact CB-CD1 3.44Å; D251-L255 WeakPolarHBondContact O-CD2 3.44Å; Q253-L255 PolarHBondContact O-N 3.34Å; L255-K259 HydrophobicContact CB-CB 4.27Å; L255-K259 HydrophobicContact CB-CG 4.26Å; L255-K259 HydrophobicContact CD1-CG 4.09Å | ||
| 256 | P | 95 | Very high | 95.8 | Very high | 72 Ų | 72 | 70.6 Ų | 70.6 | 47% | 0.468 | 38% | 0.375 | S | S | . | . | trans | -72.9 | 158 | -178.7 | 32.8 | -37.8 | 0 | 0 | 0 | 112 | D258 K259 | P256-D258 VanDerWaalsContact CB-OD1 3.24Å; P256-D258 WeakPolarHBondContact CB-OD1 3.34Å; P256-D258 VanDerWaalsContact CG-OD1 3.24Å; P256-D258 WeakPolarHBondContact CG-OD1 3.13Å; P256-D258 PolarHBondContact O-N 2.82Å; P256-D258 VanDerWaalsContact O-N 3.15Å; P256-K259 HydrophobicContact CG-CB 4.32Å; P256-K259 WeakPolarHBondContact O-CB 3.48Å; P256-K259 PolarHBondContact O-N 3.13Å | ||
| 257 | E | 94.4 | Very high | 96 | Very high | 179 Ų | 179 | 64.7 Ų | 64.7 | 84% | 0.836 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.9 | -22.8 | -179 | -64.8 | -178.7 | -176.1 | 0 | 0 | 113.8 | P237 K259 | P237-E257 VanDerWaalsContact CB-O 3.28Å; P237-E257 WeakPolarHBondContact CB-O 3.38Å; E257-K259 VanDerWaalsContact C-N 3.32Å |
| 258 | D | 94.9 | Very high | 96.2 | Very high | 122 Ų | 122 | 64.2 Ų | 64.2 | 65% | 0.652 | 34% | 0.339 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.3 | -2.3 | 177.2 | 67.6 | -21.1 | 0 | 0 | 0 | 113.2 | P256 Q260 | P256-D258 VanDerWaalsContact CB-OD1 3.24Å; P256-D258 WeakPolarHBondContact CB-OD1 3.34Å; P256-D258 VanDerWaalsContact CG-OD1 3.24Å; P256-D258 WeakPolarHBondContact CG-OD1 3.13Å; P256-D258 PolarHBondContact O-N 2.82Å; P256-D258 VanDerWaalsContact O-N 3.15Å; D258-Q260 WeakPolarHBondContact O-CG 3.38Å; D258-Q260 PolarHBondContact O-N 3.34Å; D258-Q260 VanDerWaalsContact O-N 3.13Å; D258-Q260 PolarHBondContact O-NE2 3.16Å |
| 259 | K | 96.4 | Very high | 96.3 | Very high | 25 Ų | 25 | 67.1 Ų | 67.1 | 11% | 0.109 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -56.4 | 118.1 | 178.5 | 179.5 | 65.9 | 178.9 | 65.7 | 0 | 111 | L232 A235 P237 L255 P256 E257 | L232-K259 VanDerWaalsContact O-CE 3.27Å; L232-K259 WeakPolarHBondContact O-CE 3.31Å; L232-K259 PolarHBondContact O-NZ 3.08Å; A235-K259 PolarHBondContact O-NZ 2.9Å; P237-K259 WeakPolarHBondContact CD-O 3.46Å; L255-K259 HydrophobicContact CB-CB 4.27Å; L255-K259 HydrophobicContact CB-CG 4.26Å; L255-K259 HydrophobicContact CD1-CG 4.09Å; P256-K259 HydrophobicContact CG-CB 4.32Å; P256-K259 WeakPolarHBondContact O-CB 3.48Å; P256-K259 PolarHBondContact O-N 3.13Å; E257-K259 VanDerWaalsContact C-N 3.32Å |
| 260 | Q | 95.4 | Very high | 96.4 | Very high | 139 Ų | 139 | 69 Ų | 69 | 65% | 0.65 | 36% | 0.36 | S | S | * | . | P | Polyproline II helix | trans | -102.8 | 143.8 | 174.4 | -59.1 | -52.5 | -53.5 | 0 | 0 | 111.5 | D258 | D258-Q260 WeakPolarHBondContact O-CG 3.38Å; D258-Q260 PolarHBondContact O-N 3.34Å; D258-Q260 VanDerWaalsContact O-N 3.13Å; D258-Q260 PolarHBondContact O-NE2 3.16Å |
| 261 | R | 97.1 | Very high | 96.6 | Very high | 20 Ų | 20 | 63.3 Ų | 63.3 | 8% | 0.075 | 33% | 0.326 | C | S | . | . | P | Polyproline II helix | trans | -71.5 | 161.4 | 166.7 | -67.6 | -179.8 | 171.7 | 86.7 | 7.9 | 110.5 | P233 L234 A235 E238 A263 W303 | P233-R261 CarbonylContact O-C 3.53Å; P233-R261 WeakPolarHBondContact O-CA 3.21Å; L234-R261 WeakPolarHBondContact O-CD 3.29Å; L234-R261 PolarHBondContact O-NE 3.41Å; A235-R261 WeakPolarHBondContact O-CG 3.35Å; E238-R261 IonicContact OE1-CZ 3.56Å; E238-R261 VanDerWaalsContact OE1-CZ 3.23Å; E238-R261 IonicContact OE1-NH1 2.74Å; E238-R261 PolarHBondContact OE1-NH1 3.13Å; E238-R261 IonicContact OE1-NH2 3.77Å; E238-R261 PolarHBondContact OE1-NH2 3.12Å; E238-R261 IonicContact OE2-CZ 3.33Å; E238-R261 IonicContact OE2-NH1 3.9Å; E238-R261 IonicContact OE2-NH2 2.65Å; E238-R261 PolarHBondContact OE2-NH2 3.34Å; R261-A263 PolarHBondContact O-N 3.06Å; R261-W303 HydrophobicContact CB-CH2 4.05Å; R261-W303 HydrophobicContact CB-CZ2 4.43Å; R261-W303 HydrophobicContact CB-CZ3 4.27Å |
| 262 | E | 97.9 | Very high | 96.9 | Very high | 15 Ų | 15 | 59 Ų | 59 | 7% | 0.07 | 30% | 0.303 | C | S | . | . | P | Polyproline II helix | trans | -54 | 128.8 | 166 | 172.5 | 58.3 | -103.7 | 0 | 0 | 109.5 | R199 P233 D264 I267 R268 | R199-E262 IonicContact CZ-OE1 2.95Å; R199-E262 IonicContact CZ-OE2 3.37Å; R199-E262 IonicContact NE-OE1 2.73Å; R199-E262 IonicContact NE-OE2 3.28Å; R199-E262 PolarHBondContact NE-OE2 3.19Å; R199-E262 IonicContact NH2-OE1 3.75Å; R199-E262 PolarHBondContact NH2-OE1 3.31Å; R199-E262 IonicContact NH2-OE2 3.43Å; R199-E262 PolarHBondContact NH2-OE2 2.71Å; P233-E262 HydrophobicContact CB-CB 4.14Å; P233-E262 PolarHBondContact O-N 3.11Å; E262-D264 HydrophobicContact CG-CB 4.39Å; E262-D264 PolarHBondContact OE1-N 2.99Å; E262-I267 HydrophobicContact CG-CB 3.77Å; E262-I267 HydrophobicContact CG-CG2 3.68Å; E262-R268 HydrophobicContact CB-CG 3.93Å; E262-R268 HydrophobicContact CG-CG 4.08Å; E262-R268 VanDerWaalsContact O-CD 3.26Å; E262-R268 WeakPolarHBondContact O-CD 3.38Å; E262-R268 PolarHBondContact O-NH1 3.14Å |
| 263 | A | 96.9 | Very high | 97 | Very high | 82 Ų | 82 | 61 Ų | 61 | 68% | 0.678 | 31% | 0.312 | S | S | * | . | S | Bend | trans | -80.2 | -30.2 | -175 | 0 | 0 | 0 | 0 | 0 | 112.1 | R261 P265 R268 | R261-A263 PolarHBondContact O-N 3.06Å; A263-P265 WeakPolarHBondContact O-CD 3.32Å; A263-R268 PolarHBondContact O-NH1 3.14Å |
| 264 | D | 98 | Very high | 97.1 | Very high | 44 Ų | 44 | 58.3 Ų | 58.3 | 24% | 0.235 | 30% | 0.299 | C | S | . | . | trans | -79.5 | 117.3 | -178 | -171.4 | -66.5 | 0 | 0 | 0 | 111.7 | V196 E262 D266 I267 R268 | V196-D264 HydrophobicContact CG1-CB 4.22Å; V196-D264 WeakPolarHBondContact CG1-OD2 3.4Å; E262-D264 HydrophobicContact CG-CB 4.39Å; E262-D264 PolarHBondContact OE1-N 2.99Å; D264-D266 VanDerWaalsContact C-N 3.34Å; D264-D266 PolarHBondContact O-N 3.16Å; D264-D266 WeakPolarHBondContact OD1-CA 3.5Å; D264-D266 WeakPolarHBondContact OD1-CB 3.42Å; D264-D266 PolarHBondContact OD1-N 3.27Å; D264-I267 HydrophobicContact CB-CB 4.14Å; D264-I267 HydrophobicContact CB-CD1 4.02Å; D264-I267 HydrophobicContact CB-CG1 4Å; D264-I267 PolarHBondContact O-N 2.94Å; D264-I267 PolarHBondContact OD1-N 3.5Å; D264-R268 PolarHBondContact O-N 3.02Å | ||
| 265 | P | 97.9 | Very high | 97.3 | Very high | 42 Ų | 42 | 51.3 Ų | 51.3 | 27% | 0.273 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -65.7 | -33.6 | -177.4 | 26.2 | -33.4 | 0 | 0 | 0 | 113 | A263 I267 R268 K269 D306 V309 | A263-P265 WeakPolarHBondContact O-CD 3.32Å; P265-I267 VanDerWaalsContact C-N 3.3Å; P265-I267 PolarHBondContact O-N 3.22Å; P265-R268 PolarHBondContact O-N 3.48Å; P265-K269 WeakPolarHBondContact O-CB 3.42Å; P265-K269 PolarHBondContact O-N 3.37Å; P265-D306 HydrophobicContact CB-CB 4.07Å; P265-V309 HydrophobicContact CB-CG2 3.95Å; P265-V309 VanDerWaalsContact O-CG2 3.31Å; P265-V309 WeakPolarHBondContact O-CG2 3.46Å |
| 266 | D | 97.7 | Very high | 97.4 | Very high | 116 Ų | 116 | 51.9 Ų | 51.9 | 62% | 0.62 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -65.2 | -39.3 | 177.9 | -70.1 | -37.7 | 0 | 0 | 0 | 110.4 | D264 M270 | D264-D266 VanDerWaalsContact C-N 3.34Å; D264-D266 PolarHBondContact O-N 3.16Å; D264-D266 WeakPolarHBondContact OD1-CA 3.5Å; D264-D266 WeakPolarHBondContact OD1-CB 3.42Å; D264-D266 PolarHBondContact OD1-N 3.27Å; D266-M270 VanDerWaalsContact O-CB 3.31Å; D266-M270 WeakPolarHBondContact O-CB 3.49Å; D266-M270 PolarHBondContact O-N 3.18Å |
| 267 | I | 98.6 | Very high | 97.6 | Very high | 5 Ų | 5 | 49.7 Ų | 49.7 | 3% | 0.026 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -66.6 | -44.8 | 174.3 | -62.8 | -176.2 | 0 | 0 | 0 | 111.2 | V196 R199 I203 E262 D264 P265 K269 M270 L271 | V196-I267 HydrophobicContact CG1-CD1 3.69Å; R199-I267 HydrophobicContact CB-CD1 4.12Å; I203-I267 HydrophobicContact CD1-CG2 3.25Å; E262-I267 HydrophobicContact CG-CB 3.77Å; E262-I267 HydrophobicContact CG-CG2 3.68Å; D264-I267 HydrophobicContact CB-CB 4.14Å; D264-I267 HydrophobicContact CB-CD1 4.02Å; D264-I267 HydrophobicContact CB-CG1 4Å; D264-I267 PolarHBondContact O-N 2.94Å; D264-I267 PolarHBondContact OD1-N 3.5Å; P265-I267 VanDerWaalsContact C-N 3.3Å; P265-I267 PolarHBondContact O-N 3.22Å; I267-K269 VanDerWaalsContact C-N 3.34Å; I267-K269 PolarHBondContact O-N 3.3Å; I267-M270 PolarHBondContact O-N 3.04Å; I267-L271 HydrophobicContact CG2-CD1 4.17Å; I267-L271 HydrophobicContact CG2-CG 4.49Å; I267-L271 WeakPolarHBondContact O-CG 3.4Å; I267-L271 PolarHBondContact O-N 3.08Å |
| 268 | R | 98.6 | Very high | 97.8 | Very high | 13 Ų | 13 | 41.1 Ų | 41.1 | 5% | 0.049 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -58.1 | -46.6 | 176.3 | -69.7 | -164 | -60.8 | -84.7 | 3.2 | 111.6 | L234 E262 A263 D264 P265 M270 L271 L272 E304 V309 | L234-R268 HydrophobicContact CD2-CB 4.15Å; L234-R268 HydrophobicContact CD2-CG 4.19Å; E262-R268 HydrophobicContact CB-CG 3.93Å; E262-R268 HydrophobicContact CG-CG 4.08Å; E262-R268 VanDerWaalsContact O-CD 3.26Å; E262-R268 WeakPolarHBondContact O-CD 3.38Å; E262-R268 PolarHBondContact O-NH1 3.14Å; A263-R268 PolarHBondContact O-NH1 3.14Å; D264-R268 PolarHBondContact O-N 3.02Å; P265-R268 PolarHBondContact O-N 3.48Å; R268-M270 VanDerWaalsContact C-N 3.33Å; R268-M270 PolarHBondContact O-N 3.37Å; R268-L271 WeakPolarHBondContact O-CB 3.48Å; R268-L271 PolarHBondContact O-N 3.23Å; R268-L272 WeakPolarHBondContact O-CG 3.44Å; R268-L272 PolarHBondContact O-N 3.37Å; R268-E304 IonicContact CZ-OE1 3.44Å; R268-E304 IonicContact CZ-OE2 3.41Å; R268-E304 IonicContact NE-OE1 2.81Å; R268-E304 IonicContact NE-OE2 3.91Å; R268-E304 PolarHBondContact NE-OE2 2.88Å; R268-E304 IonicContact NH2-OE1 3.68Å; R268-E304 PolarHBondContact NH2-OE1 3.33Å; R268-E304 IonicContact NH2-OE2 2.88Å; R268-E304 PolarHBondContact NH2-OE2 3.31Å; R268-V309 HydrophobicContact CB-CG1 3.97Å; R268-V309 HydrophobicContact CB-CG2 4.39Å |
| 269 | K | 98.4 | Very high | 97.9 | Very high | 66 Ų | 66 | 35.5 Ų | 35.5 | 29% | 0.287 | 19% | 0.189 | S | C | . | . | H | α-helix | trans | -58 | -45.5 | 175 | -175.4 | 169.1 | 177.5 | -75.1 | 0 | 111.4 | P265 I267 L271 L272 E273 H308 V309 A312 | P265-K269 WeakPolarHBondContact O-CB 3.42Å; P265-K269 PolarHBondContact O-N 3.37Å; I267-K269 VanDerWaalsContact C-N 3.34Å; I267-K269 PolarHBondContact O-N 3.3Å; K269-L271 VanDerWaalsContact C-N 3.34Å; K269-L271 PolarHBondContact O-N 2.95Å; K269-L272 PolarHBondContact O-N 3.3Å; K269-E273 IonicContact NZ-OE1 3.82Å; K269-E273 PolarHBondContact NZ-OE1 2.78Å; K269-E273 WeakPolarHBondContact O-CG 3.43Å; K269-E273 PolarHBondContact O-N 2.85Å; K269-H308 HydrophobicContact CD-CB 4.09Å; K269-V309 HydrophobicContact CB-CG2 4.08Å; K269-A312 HydrophobicContact CG-CB 4.46Å |
| 270 | M | 98.4 | Very high | 97.9 | Very high | 47 Ų | 47 | 34.6 Ų | 34.6 | 23% | 0.232 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -63.9 | -36.8 | 179.7 | -163 | -176.6 | -57.5 | 0 | 0 | 112.9 | I203 G204 R207 D266 I267 R268 T274 | I203-M270 HydrophobicContact CB-SD 4.19Å; I203-M270 HydrophobicContact CG2-CB 4Å; I203-M270 HydrophobicContact CG2-CG 3.79Å; I203-M270 HydrophobicContact CG2-SD 3.76Å; G204-M270 WeakPolarHBondContact CA-SD 3.4Å; G204-M270 PolarHBondContact N-SD 3.47Å; R207-M270 HydrophobicContact CB-CG 4.44Å; D266-M270 VanDerWaalsContact O-CB 3.31Å; D266-M270 WeakPolarHBondContact O-CB 3.49Å; D266-M270 PolarHBondContact O-N 3.18Å; I267-M270 PolarHBondContact O-N 3.04Å; R268-M270 VanDerWaalsContact C-N 3.33Å; R268-M270 PolarHBondContact O-N 3.37Å; M270-T274 WeakPolarHBondContact O-CB 3.23Å; M270-T274 PolarHBondContact O-N 3.2Å; M270-T274 PolarHBondContact O-OG1 2.76Å |
| 271 | L | 98.8 | Very high | 97.9 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -64.4 | -45.9 | 173.3 | -72 | 164.6 | 0 | 0 | 0 | 111.6 | I203 L230 P233 L234 I267 R268 K269 T274 L275 | I203-L271 HydrophobicContact CD1-CD1 4.21Å; I203-L271 HydrophobicContact CD1-CD2 3.83Å; I203-L271 HydrophobicContact CD1-CG 4.03Å; I203-L271 HydrophobicContact CG1-CD2 3.94Å; I203-L271 HydrophobicContact CG2-CD2 3.77Å; I203-L271 HydrophobicContact CG2-CG 3.91Å; L230-L271 HydrophobicContact CB-CD2 4.45Å; L230-L271 HydrophobicContact CD2-CD2 3.83Å; P233-L271 HydrophobicContact CB-CD1 3.63Å; P233-L271 HydrophobicContact CG-CD1 3.96Å; P233-L271 HydrophobicContact CG-CD2 4.5Å; L234-L271 HydrophobicContact CD1-CB 4.05Å; L234-L271 HydrophobicContact CD2-CB 3.97Å; L234-L271 HydrophobicContact CD2-CD1 3.76Å; L234-L271 HydrophobicContact CG-CB 4.14Å; L234-L271 HydrophobicContact CG-CD1 4.08Å; I267-L271 HydrophobicContact CG2-CD1 4.17Å; I267-L271 HydrophobicContact CG2-CG 4.49Å; I267-L271 WeakPolarHBondContact O-CG 3.4Å; I267-L271 PolarHBondContact O-N 3.08Å; R268-L271 WeakPolarHBondContact O-CB 3.48Å; R268-L271 PolarHBondContact O-N 3.23Å; K269-L271 VanDerWaalsContact C-N 3.34Å; K269-L271 PolarHBondContact O-N 2.95Å; L271-T274 WeakPolarHBondContact O-CB 3.46Å; L271-T274 PolarHBondContact O-N 3.36Å; L271-T274 VanDerWaalsContact O-N 3.15Å; L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.01Å |
| 272 | L | 98.8 | Very high | 97.9 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61.7 | -43.5 | 176.4 | -70.7 | 167.2 | 0 | 0 | 0 | 112.1 | L234 R268 K269 T274 L275 L276 V297 L300 V309 A312 C313 L316 | L234-L272 HydrophobicContact CD1-CD2 3.9Å; L234-L272 HydrophobicContact CD1-CG 4.19Å; R268-L272 WeakPolarHBondContact O-CG 3.44Å; R268-L272 PolarHBondContact O-N 3.37Å; K269-L272 PolarHBondContact O-N 3.3Å; L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 3.43Å; L272-L275 PolarHBondContact O-N 2.98Å; L272-L276 WeakPolarHBondContact O-CB 3.43Å; L272-L276 PolarHBondContact O-N 2.98Å; L272-V297 HydrophobicContact CD2-CG1 4.27Å; L272-L300 HydrophobicContact CD1-CD2 4.08Å; L272-L300 HydrophobicContact CD2-CD2 3.96Å; L272-L300 HydrophobicContact CG-CD2 4.29Å; L272-V309 HydrophobicContact CD1-CG1 3.63Å; L272-A312 HydrophobicContact CB-CB 4.03Å; L272-A312 HydrophobicContact CD1-CB 3.83Å; L272-C313 WeakPolarHBondContact CD1-SG 3.18Å; L272-L316 HydrophobicContact CD2-CD2 3.84Å |
| 273 | E | 98 | Very high | 97.8 | Very high | 45 Ų | 45 | 33.7 Ų | 33.7 | 21% | 0.21 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -62.5 | -36.2 | 174.2 | -72.3 | 177.1 | -173.3 | 0 | 0 | 111.9 | R207 K269 L276 L277 | R207-E273 IonicContact CZ-OE2 3.32Å; R207-E273 IonicContact NE-OE2 2.82Å; R207-E273 PolarHBondContact NE-OE2 3.12Å; R207-E273 IonicContact NH2-OE2 3.51Å; R207-E273 PolarHBondContact NH2-OE2 3.33Å; K269-E273 IonicContact NZ-OE1 3.82Å; K269-E273 PolarHBondContact NZ-OE1 2.78Å; K269-E273 WeakPolarHBondContact O-CG 3.43Å; K269-E273 PolarHBondContact O-N 2.85Å; E273-L276 PolarHBondContact O-N 3.44Å; E273-L277 WeakPolarHBondContact O-CG 3.3Å; E273-L277 PolarHBondContact O-N 3.38Å |
| 274 | T | 98.6 | Very high | 97.8 | Very high | 0 Ų | 0 | 29.8 Ų | 29.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.3 | -44 | 175.3 | -55.3 | 0 | 0 | 0 | 0 | 111.2 | R207 C210 L230 M270 L271 L272 L276 L277 L278 | R207-T274 VanDerWaalsContact CB-OG1 3.26Å; R207-T274 WeakPolarHBondContact CB-OG1 3.31Å; C210-T274 HydrophobicContact CB-CG2 4.46Å; L230-T274 HydrophobicContact CD1-CG2 3.81Å; L230-T274 HydrophobicContact CD2-CG2 3.92Å; M270-T274 WeakPolarHBondContact O-CB 3.23Å; M270-T274 PolarHBondContact O-N 3.2Å; M270-T274 PolarHBondContact O-OG1 2.76Å; L271-T274 WeakPolarHBondContact O-CB 3.46Å; L271-T274 PolarHBondContact O-N 3.36Å; L271-T274 VanDerWaalsContact O-N 3.15Å; L272-T274 VanDerWaalsContact C-N 3.28Å; L272-T274 PolarHBondContact O-N 3.43Å; T274-L276 VanDerWaalsContact C-N 3.34Å; T274-L277 PolarHBondContact O-N 2.97Å; T274-L278 WeakPolarHBondContact O-CG 3.47Å; T274-L278 PolarHBondContact O-N 3.29Å; T274-L278 VanDerWaalsContact O-N 3.1Å |
| 275 | L | 98.8 | Very high | 97.8 | Very high | 0 Ų | 0 | 27.9 Ų | 27.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -62.8 | -40.7 | 174.5 | -68.4 | 167.6 | 0 | 0 | 0 | 111.5 | L227 L230 L231 L234 L271 L272 L278 T279 L288 L316 | L227-L275 HydrophobicContact CD1-CD2 3.65Å; L230-L275 HydrophobicContact CB-CD2 4.02Å; L230-L275 HydrophobicContact CB-CG 4.44Å; L230-L275 HydrophobicContact CD1-CD2 4.1Å; L231-L275 HydrophobicContact CD2-CD1 3.71Å; L231-L275 HydrophobicContact CD2-CD2 4.09Å; L231-L275 HydrophobicContact CG-CD2 4.49Å; L234-L275 HydrophobicContact CD1-CD1 3.76Å; L271-L275 WeakPolarHBondContact O-CG 3.33Å; L271-L275 PolarHBondContact O-N 3.01Å; L272-L275 PolarHBondContact O-N 2.98Å; L275-L278 WeakPolarHBondContact O-CB 3.45Å; L275-L278 PolarHBondContact O-N 3.41Å; L275-T279 WeakPolarHBondContact O-CG2 3.43Å; L275-T279 PolarHBondContact O-N 3.4Å; L275-T279 VanDerWaalsContact O-N 3.14Å; L275-L288 HydrophobicContact CB-CD2 4.37Å; L275-L288 HydrophobicContact CD2-CD2 4.13Å; L275-L316 HydrophobicContact CB-CD1 4.23Å; L275-L316 HydrophobicContact CB-CD2 3.72Å; L275-L316 HydrophobicContact CD1-CD2 3.94Å; L275-L316 HydrophobicContact CG-CD2 4.49Å |
| 276 | L | 98 | Very high | 97.8 | Very high | 57 Ų | 57 | 29.8 Ų | 29.8 | 30% | 0.298 | 15% | 0.153 | S | C | . | . | H | α-helix | trans | -64.7 | -38.6 | 175.8 | -174.8 | 65.1 | 0 | 0 | 0 | 112.2 | L272 E273 T274 L278 T279 K315 L316 V319 | L272-L276 WeakPolarHBondContact O-CB 3.43Å; L272-L276 PolarHBondContact O-N 2.98Å; E273-L276 PolarHBondContact O-N 3.44Å; T274-L276 VanDerWaalsContact C-N 3.34Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 2.92Å; L276-T279 PolarHBondContact O-N 2.92Å; L276-T279 PolarHBondContact O-OG1 3.27Å; L276-K315 HydrophobicContact CD2-CB 4.27Å; L276-L316 HydrophobicContact CB-CD1 4.48Å; L276-L316 HydrophobicContact CD1-CD1 4.47Å; L276-V319 HydrophobicContact CD1-CG2 3.94Å |
| 277 | L | 97.8 | Very high | 97.8 | Very high | 25 Ų | 25 | 25.5 Ų | 25.5 | 13% | 0.131 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 172.4 | -74.9 | 169.7 | 0 | 0 | 0 | 110.9 | R207 C210 F211 H216 E273 T274 T279 A280 | R207-L277 HydrophobicContact CG-CD1 3.87Å; C210-L277 HydrophobicContact CB-CB 3.92Å; C210-L277 HydrophobicContact CB-CD1 4.16Å; F211-L277 HydrophobicContact CD1-CD1 4.37Å; F211-L277 HydrophobicContact CD1-CD2 3.92Å; F211-L277 HydrophobicContact CE1-CD1 4.12Å; F211-L277 HydrophobicContact CE1-CD2 3.79Å; F211-L277 HydrophobicContact CE2-CD1 4.36Å; F211-L277 HydrophobicContact CZ-CD1 4.1Å; H216-L277 PolarHBondContact CE1-O 2.92Å; E273-L277 WeakPolarHBondContact O-CG 3.3Å; E273-L277 PolarHBondContact O-N 3.38Å; T274-L277 PolarHBondContact O-N 2.97Å; L277-T279 PolarHBondContact O-N 3.12Å; L277-A280 WeakPolarHBondContact O-CB 3.49Å; L277-A280 PolarHBondContact O-N 2.97Å |
| 278 | L | 98.3 | Very high | 97.7 | Very high | 0 Ų | 0 | 25.2 Ų | 25.2 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63 | -27.9 | 177.3 | -69.4 | 167 | 0 | 0 | 0 | 112.5 | H216 L220 V226 L230 T274 L275 L276 A280 G284 L288 | H216-L278 HydrophobicContact CB-CD2 4.32Å; L220-L278 HydrophobicContact CD1-CD2 4.42Å; L220-L278 HydrophobicContact CD2-CD1 4.19Å; L220-L278 HydrophobicContact CG-CD2 4.32Å; V226-L278 HydrophobicContact CG1-CD1 4.33Å; L230-L278 HydrophobicContact CD1-CD1 3.68Å; T274-L278 WeakPolarHBondContact O-CG 3.47Å; T274-L278 PolarHBondContact O-N 3.29Å; T274-L278 VanDerWaalsContact O-N 3.1Å; L275-L278 WeakPolarHBondContact O-CB 3.45Å; L275-L278 PolarHBondContact O-N 3.41Å; L276-L278 VanDerWaalsContact C-N 3.31Å; L276-L278 PolarHBondContact O-N 2.92Å; L278-A280 PolarHBondContact O-N 2.64Å; L278-G284 VanDerWaalsContact O-CA 3.3Å; L278-G284 WeakPolarHBondContact O-CA 3.47Å; L278-L288 HydrophobicContact CB-CD1 4.44Å |
| 279 | T | 97.6 | Very high | 97.7 | Very high | 3 Ų | 3 | 27.6 Ų | 27.6 | 2% | 0.018 | 14% | 0.138 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -79 | 0 | 174.8 | 65.2 | 0 | 0 | 0 | 0 | 114.2 | L275 L276 L277 T281 R285 L288 L316 V319 L320 | L275-T279 WeakPolarHBondContact O-CG2 3.43Å; L275-T279 PolarHBondContact O-N 3.4Å; L275-T279 VanDerWaalsContact O-N 3.14Å; L276-T279 PolarHBondContact O-N 2.92Å; L276-T279 PolarHBondContact O-OG1 3.27Å; L277-T279 PolarHBondContact O-N 3.12Å; T279-T281 PolarHBondContact O-N 2.93Å; T279-R285 WeakPolarHBondContact O-CG 3.4Å; T279-R285 PolarHBondContact O-NH1 3.27Å; T279-L288 HydrophobicContact CG2-CD2 3.7Å; T279-L316 HydrophobicContact CG2-CD1 4.04Å; T279-V319 HydrophobicContact CG2-CG1 4.16Å; T279-L320 HydrophobicContact CG2-CD2 4.44Å |
| 280 | A | 96 | Very high | 97.6 | Very high | 7 Ų | 7 | 31.4 Ų | 31.4 | 6% | 0.058 | 16% | 0.158 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.5 | -30.1 | 176 | 0 | 0 | 0 | 0 | 0 | 112.2 | L277 L278 R285 L332 M333 | L277-A280 WeakPolarHBondContact O-CB 3.49Å; L277-A280 PolarHBondContact O-N 2.97Å; L278-A280 PolarHBondContact O-N 2.64Å; A280-R285 PolarHBondContact O-NH1 3.4Å; A280-L332 WeakPolarHBondContact O-CG 3.29Å; A280-L332 PolarHBondContact O-N 3.36Å; A280-M333 HydrophobicContact CB-CG 3.69Å; A280-M333 HydrophobicContact CB-SD 4.15Å |
| 281 | T | 96.6 | Very high | 97.5 | Very high | 16 Ų | 16 | 32.8 Ų | 32.8 | 10% | 0.098 | 16% | 0.162 | C | C | . | . | B | Isolated β-bridge | trans | -95.8 | 148.2 | 174.4 | 64.1 | 0 | 0 | 0 | 0 | 112.2 | H213 H216 T279 T283 G284 R285 E330 | H213-T281 HydrophobicContact CB-CG2 3.95Å; H216-T281 HydrophobicContact CB-CG2 4.42Å; H216-T281 WeakPolarHBondContact ND1-CG2 3.28Å; H216-T281 PolarHBondContact ND1-OG1 3.4Å; T279-T281 PolarHBondContact O-N 2.93Å; T281-T283 VanDerWaalsContact C-N 3.32Å; T281-T283 PolarHBondContact O-N 3.01Å; T281-G284 WeakPolarHBondContact O-CA 3.27Å; T281-G284 PolarHBondContact O-N 2.97Å; T281-G284 PolarHBondContact OG1-N 3.22Å; T281-R285 PolarHBondContact O-N 2.8Å; T281-E330 CarbonylContact C-O 3.46Å; T281-E330 WeakPolarHBondContact CA-O 3.37Å |
| 282 | K | 95.9 | Very high | 97.4 | Very high | 65 Ų | 65 | 35 Ų | 35 | 28% | 0.283 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -55.9 | -45.5 | 174.1 | 173.3 | 169.3 | 172.2 | -176.9 | 0 | 112.1 | G284 R285 L286 E324 E330 | K282-G284 VanDerWaalsContact C-N 3.25Å; K282-G284 PolarHBondContact O-N 3.09Å; K282-R285 PolarHBondContact O-N 3.4Å; K282-L286 HydrophobicContact CG-CD1 3.84Å; K282-L286 HydrophobicContact CG-CG 4.31Å; K282-L286 WeakPolarHBondContact O-CB 3.31Å; K282-L286 VanDerWaalsContact O-CG 3.27Å; K282-L286 WeakPolarHBondContact O-CG 3.46Å; K282-L286 PolarHBondContact O-N 3.24Å; K282-E324 WeakPolarHBondContact CG-OE1 3.28Å; K282-E330 HydrophobicContact CB-CB 4.14Å; K282-E330 HydrophobicContact CD-CB 4.32Å; K282-E330 HydrophobicContact CD-CG 3.93Å; K282-E330 WeakPolarHBondContact CD-OE1 3.32Å; K282-E330 PolarHBondContact N-O 3.43Å; K282-E330 IonicContact NZ-OE1 2.93Å; K282-E330 PolarHBondContact NZ-OE1 2.74Å |
| 283 | T | 96.1 | Very high | 97.4 | Very high | 74 Ų | 74 | 35 Ų | 35 | 45% | 0.454 | 17% | 0.174 | S | C | . | . | H | α-helix | trans | -57.1 | -42.7 | 175.3 | -56.3 | 0 | 0 | 0 | 0 | 111.1 | A217 T281 T287 | A217-T283 HydrophobicContact CB-CG2 3.94Å; T281-T283 VanDerWaalsContact C-N 3.32Å; T281-T283 PolarHBondContact O-N 3.01Å; T283-T287 VanDerWaalsContact O-CB 3.31Å; T283-T287 WeakPolarHBondContact O-CB 3.21Å; T283-T287 PolarHBondContact O-N 3.03Å; T283-T287 PolarHBondContact O-OG1 3.44Å |
| 284 | G | 97.6 | Very high | 97.4 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -63.1 | -51.2 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L278 T281 K282 L286 T287 L288 | L278-G284 VanDerWaalsContact O-CA 3.3Å; L278-G284 WeakPolarHBondContact O-CA 3.47Å; T281-G284 WeakPolarHBondContact O-CA 3.27Å; T281-G284 PolarHBondContact O-N 2.97Å; T281-G284 PolarHBondContact OG1-N 3.22Å; K282-G284 VanDerWaalsContact C-N 3.25Å; K282-G284 PolarHBondContact O-N 3.09Å; G284-L286 VanDerWaalsContact C-N 3.34Å; G284-L286 PolarHBondContact O-N 3.18Å; G284-T287 PolarHBondContact O-N 3.46Å; G284-L288 WeakPolarHBondContact O-CD1 3.47Å; G284-L288 PolarHBondContact O-N 2.92Å |
| 285 | R | 97.8 | Very high | 97.3 | Very high | 3 Ų | 3 | 37.2 Ų | 37.2 | 1% | 0.011 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -53.7 | -50.2 | 175.9 | -70 | -172.6 | -67.2 | -87.5 | 9.7 | 112.4 | T279 A280 T281 K282 T287 L288 R289 V319 E324 M329 E330 | T279-R285 WeakPolarHBondContact O-CG 3.4Å; T279-R285 PolarHBondContact O-NH1 3.27Å; A280-R285 PolarHBondContact O-NH1 3.4Å; T281-R285 PolarHBondContact O-N 2.8Å; K282-R285 PolarHBondContact O-N 3.4Å; R285-T287 VanDerWaalsContact C-N 3.34Å; R285-T287 PolarHBondContact O-N 3.25Å; R285-L288 PolarHBondContact O-N 3.42Å; R285-R289 WeakPolarHBondContact O-CB 3.17Å; R285-R289 VanDerWaalsContact O-CG 3.32Å; R285-R289 WeakPolarHBondContact O-CG 3.34Å; R285-R289 PolarHBondContact O-N 3.08Å; R285-V319 HydrophobicContact CG-CG1 4.08Å; R285-E324 IonicContact CZ-OE1 3.39Å; R285-E324 VanDerWaalsContact CZ-OE1 3.29Å; R285-E324 IonicContact NE-OE1 2.73Å; R285-E324 PolarHBondContact NE-OE1 2.97Å; R285-E324 IonicContact NE-OE2 2.77Å; R285-E324 PolarHBondContact NE-OE2 3.32Å; R285-E324 IonicContact NH2-OE1 3.9Å; R285-E324 PolarHBondContact NH2-OE1 3.13Å; R285-M329 PolarHBondContact NH2-O 3.23Å; R285-E330 PolarHBondContact NH2-O 2.86Å |
| 286 | L | 97 | Very high | 97.3 | Very high | 82 Ų | 82 | 37.7 Ų | 37.7 | 43% | 0.429 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -62.8 | -42.1 | -179.6 | -67.9 | 176.2 | 0 | 0 | 0 | 111.4 | K282 G284 R289 Q290 | K282-L286 HydrophobicContact CG-CD1 3.84Å; K282-L286 HydrophobicContact CG-CG 4.31Å; K282-L286 WeakPolarHBondContact O-CB 3.31Å; K282-L286 VanDerWaalsContact O-CG 3.27Å; K282-L286 WeakPolarHBondContact O-CG 3.46Å; K282-L286 PolarHBondContact O-N 3.24Å; G284-L286 VanDerWaalsContact C-N 3.34Å; G284-L286 PolarHBondContact O-N 3.18Å; L286-R289 PolarHBondContact O-N 2.61Å; L286-Q290 WeakPolarHBondContact O-CB 3.35Å; L286-Q290 PolarHBondContact O-N 3.07Å |
| 287 | T | 97.8 | Very high | 97.3 | Very high | 26 Ų | 26 | 35 Ų | 35 | 16% | 0.16 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -65.1 | -46.4 | 178.9 | -55.6 | 0 | 0 | 0 | 0 | 111.5 | L220 T283 G284 R285 R289 Q290 K291 | L220-T287 HydrophobicContact CB-CG2 4.22Å; L220-T287 HydrophobicContact CD1-CG2 4.47Å; T283-T287 VanDerWaalsContact O-CB 3.31Å; T283-T287 WeakPolarHBondContact O-CB 3.21Å; T283-T287 PolarHBondContact O-N 3.03Å; T283-T287 PolarHBondContact O-OG1 3.44Å; G284-T287 PolarHBondContact O-N 3.46Å; R285-T287 VanDerWaalsContact C-N 3.34Å; R285-T287 PolarHBondContact O-N 3.25Å; T287-R289 VanDerWaalsContact C-N 3.35Å; T287-R289 PolarHBondContact O-N 2.91Å; T287-Q290 PolarHBondContact O-N 3.27Å; T287-K291 HydrophobicContact CG2-CG 4.29Å; T287-K291 WeakPolarHBondContact O-CB 3.26Å; T287-K291 VanDerWaalsContact O-CG 3.3Å; T287-K291 WeakPolarHBondContact O-CG 3.45Å; T287-K291 PolarHBondContact O-N 3.4Å |
| 288 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.1 Ų | 36.1 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -66.1 | -36.7 | 179.4 | -85.3 | 74.3 | 0 | 0 | 0 | 111.9 | L220 L227 L275 L278 T279 G284 R285 V293 L320 | L220-L288 HydrophobicContact CD1-CD1 4.01Å; L220-L288 HydrophobicContact CD2-CD1 3.93Å; L227-L288 HydrophobicContact CD1-CD1 4.37Å; L227-L288 HydrophobicContact CD1-CG 4.14Å; L275-L288 HydrophobicContact CB-CD2 4.37Å; L275-L288 HydrophobicContact CD2-CD2 4.13Å; L278-L288 HydrophobicContact CB-CD1 4.44Å; T279-L288 HydrophobicContact CG2-CD2 3.7Å; G284-L288 WeakPolarHBondContact O-CD1 3.47Å; G284-L288 PolarHBondContact O-N 2.92Å; R285-L288 PolarHBondContact O-N 3.42Å; L288-V293 HydrophobicContact CB-CB 4.29Å; L288-V293 HydrophobicContact CB-CG2 3.95Å; L288-V293 HydrophobicContact CD2-CG1 4.49Å; L288-V293 HydrophobicContact CD2-CG2 4.49Å; L288-V293 HydrophobicContact CG-CG2 3.97Å; L288-V293 WeakPolarHBondContact O-CB 3.22Å; L288-V293 VanDerWaalsContact O-CG2 3.26Å; L288-V293 WeakPolarHBondContact O-CG2 3.5Å; L288-V293 PolarHBondContact O-N 3.36Å; L288-V293 VanDerWaalsContact O-N 3.1Å; L288-L320 HydrophobicContact CB-CD2 3.8Å; L288-L320 HydrophobicContact CD2-CD2 4.49Å |
| 289 | R | 97.5 | Very high | 97.2 | Very high | 62 Ų | 62 | 37.2 Ų | 37.2 | 23% | 0.234 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -65.9 | -45.4 | 172 | -70.9 | -179 | -167 | 125.8 | -0.9 | 111.7 | R285 L286 T287 K291 N292 V319 L320 G322 E324 | R285-R289 WeakPolarHBondContact O-CB 3.17Å; R285-R289 VanDerWaalsContact O-CG 3.32Å; R285-R289 WeakPolarHBondContact O-CG 3.34Å; R285-R289 PolarHBondContact O-N 3.08Å; L286-R289 PolarHBondContact O-N 2.61Å; T287-R289 VanDerWaalsContact C-N 3.35Å; T287-R289 PolarHBondContact O-N 2.91Å; R289-K291 VanDerWaalsContact C-N 3.27Å; R289-K291 PolarHBondContact O-N 3.26Å; R289-N292 PolarHBondContact O-N 2.97Å; R289-V319 PolarHBondContact NH2-O 3.45Å; R289-L320 WeakPolarHBondContact CD-O 3.39Å; R289-L320 HydrophobicContact CG-CD2 4.35Å; R289-L320 WeakPolarHBondContact CG-O 3.49Å; R289-L320 PolarHBondContact NE-O 2.9Å; R289-G322 PolarHBondContact NH2-O 3.18Å; R289-E324 IonicContact CZ-OE2 3.96Å; R289-E324 IonicContact NH1-OE2 2.95Å; R289-E324 PolarHBondContact NH1-OE2 3.32Å; R289-E324 IonicContact NH2-OE2 3.18Å |
| 290 | Q | 96.3 | Very high | 97.3 | Very high | 147 Ų | 147 | 37.1 Ų | 37.1 | 69% | 0.687 | 18% | 0.177 | S | C | * | . | H | α-helix | trans | -63.1 | -33.7 | 179.5 | -176.8 | -179 | 5.5 | 0 | 0 | 112.5 | L286 T287 N292 | L286-Q290 WeakPolarHBondContact O-CB 3.35Å; L286-Q290 PolarHBondContact O-N 3.07Å; T287-Q290 PolarHBondContact O-N 3.27Å; Q290-N292 PolarHBondContact O-N 2.9Å |
| 291 | K | 96.9 | Very high | 97.4 | Very high | 75 Ų | 75 | 40.3 Ų | 40.3 | 33% | 0.326 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.8 | 19.2 | 178.9 | -65.9 | -69.8 | -173 | 170.8 | 0 | 113.4 | L227 G247 P249 T287 R289 V293 | L227-K291 HydrophobicContact CD2-CB 3.7Å; L227-K291 HydrophobicContact CD2-CG 3.89Å; G247-K291 CarbonylContact O-C 3.12Å; G247-K291 VanDerWaalsContact O-CA 3.24Å; G247-K291 WeakPolarHBondContact O-CA 3.26Å; P249-K291 HydrophobicContact CG-CB 4.45Å; P249-K291 HydrophobicContact CG-CD 4.4Å; T287-K291 HydrophobicContact CG2-CG 4.29Å; T287-K291 WeakPolarHBondContact O-CB 3.26Å; T287-K291 VanDerWaalsContact O-CG 3.3Å; T287-K291 WeakPolarHBondContact O-CG 3.45Å; T287-K291 PolarHBondContact O-N 3.4Å; R289-K291 VanDerWaalsContact C-N 3.27Å; R289-K291 PolarHBondContact O-N 3.26Å; K291-V293 VanDerWaalsContact C-N 3.3Å; K291-V293 PolarHBondContact O-N 3.36Å |
| 292 | N | 96.3 | Very high | 97.4 | Very high | 47 Ų | 47 | 47.5 Ų | 47.5 | 25% | 0.251 | 22% | 0.216 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 45.9 | 47.7 | 179.2 | -79 | -7.9 | 0 | 0 | 0 | 113.8 | E243 E244 G247 L248 R289 Q290 Y294 P295 | E243-N292 PolarHBondContact O-ND2 3.48Å; E244-N292 PolarHBondContact O-ND2 2.86Å; G247-N292 WeakPolarHBondContact CA-ND2 3.36Å; L248-N292 HydrophobicContact CD2-CB 4.2Å; L248-N292 WeakPolarHBondContact CD2-O 3.48Å; L248-N292 HydrophobicContact CG-CB 4.4Å; R289-N292 PolarHBondContact O-N 2.97Å; Q290-N292 PolarHBondContact O-N 2.9Å; N292-Y294 VanDerWaalsContact C-N 3.27Å; N292-Y294 PolarHBondContact O-N 3.32Å; N292-P295 VanDerWaalsContact O-CD 3.3Å; N292-P295 WeakPolarHBondContact O-CD 3.4Å |
| 293 | V | 98 | Very high | 97.5 | Very high | 0 Ų | 0 | 49.3 Ų | 49.3 | 0% | 0 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -67.1 | -30.7 | 178.1 | 172.5 | 0 | 0 | 0 | 0 | 112.4 | L227 L231 L288 K291 I296 V297 L320 | L227-V293 HydrophobicContact CD1-CG2 4.19Å; L227-V293 HydrophobicContact CD2-CG2 4.16Å; L231-V293 HydrophobicContact CD1-CG2 3.79Å; L231-V293 HydrophobicContact CD2-CG1 3.71Å; L231-V293 HydrophobicContact CD2-CG2 4.23Å; L288-V293 HydrophobicContact CB-CB 4.29Å; L288-V293 HydrophobicContact CB-CG2 3.95Å; L288-V293 HydrophobicContact CD2-CG1 4.49Å; L288-V293 HydrophobicContact CD2-CG2 4.49Å; L288-V293 HydrophobicContact CG-CG2 3.97Å; L288-V293 WeakPolarHBondContact O-CB 3.22Å; L288-V293 VanDerWaalsContact O-CG2 3.26Å; L288-V293 WeakPolarHBondContact O-CG2 3.5Å; L288-V293 PolarHBondContact O-N 3.36Å; L288-V293 VanDerWaalsContact O-N 3.1Å; K291-V293 VanDerWaalsContact C-N 3.3Å; K291-V293 PolarHBondContact O-N 3.36Å; V293-I296 PolarHBondContact O-N 3.3Å; V293-V297 HydrophobicContact CG1-CG2 3.86Å; V293-V297 PolarHBondContact O-N 2.96Å; V293-L320 HydrophobicContact CB-CD1 4.26Å; V293-L320 HydrophobicContact CG1-CD1 3.88Å |
| 294 | Y | 97.8 | Very high | 97.5 | Very high | 85 Ų | 85 | 46.9 Ų | 46.9 | 33% | 0.333 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -54.9 | -50.4 | -175.3 | 167 | -109 | 0 | 0 | 0 | 114.2 | N292 I296 V297 R298 V317 I321 | N292-Y294 VanDerWaalsContact C-N 3.27Å; N292-Y294 PolarHBondContact O-N 3.32Å; Y294-I296 VanDerWaalsContact C-N 3.3Å; Y294-I296 PolarHBondContact O-N 3.27Å; Y294-V297 PolarHBondContact O-N 3.41Å; Y294-V297 VanDerWaalsContact O-N 3.14Å; Y294-R298 HydrophobicContact CE2-CB 4.09Å; Y294-R298 WeakPolarHBondContact O-CB 3.4Å; Y294-R298 PolarHBondContact O-N 2.85Å; Y294-V317 HydrophobicContact CD2-CG1 4.24Å; Y294-V317 HydrophobicContact CD2-CG2 4.25Å; Y294-V317 HydrophobicContact CE2-CG1 3.83Å; Y294-V317 HydrophobicContact CE2-CG2 4.23Å; Y294-I321 HydrophobicContact CD2-CD1 4.05Å; Y294-I321 HydrophobicContact CD2-CG1 3.96Å; Y294-I321 HydrophobicContact CE2-CD1 3.49Å; Y294-I321 VanDerWaalsContact CE2-CD1 3.49Å; Y294-I321 HydrophobicContact CE2-CG1 3.94Å |
| 295 | P | 97.5 | Very high | 97.4 | Very high | 7 Ų | 7 | 54.8 Ų | 54.8 | 5% | 0.045 | 24% | 0.239 | C | C | . | . | H | α-helix | trans | -49.8 | -44.1 | 175.1 | -30.7 | 33 | 0 | 0 | 0 | 114.6 | L240 E244 N292 V297 R298 E299 | L240-P295 HydrophobicContact CD1-CB 4.37Å; L240-P295 HydrophobicContact CD2-CB 4.14Å; E244-P295 HydrophobicContact CB-CB 4.43Å; E244-P295 HydrophobicContact CB-CG 4.12Å; E244-P295 HydrophobicContact CG-CB 4.27Å; E244-P295 HydrophobicContact CG-CG 3.71Å; N292-P295 VanDerWaalsContact O-CD 3.3Å; N292-P295 WeakPolarHBondContact O-CD 3.4Å; P295-V297 PolarHBondContact O-N 2.91Å; P295-R298 PolarHBondContact O-N 3.07Å; P295-E299 PolarHBondContact O-N 3.32Å |
| 296 | I | 98.1 | Very high | 97.3 | Very high | 10 Ų | 10 | 56.8 Ų | 56.8 | 5% | 0.051 | 25% | 0.25 | C | S | . | . | H | α-helix | trans | -62.1 | -47 | 178.8 | -58.9 | -63 | 0 | 0 | 0 | 111 | L234 A235 L240 L248 L252 V293 Y294 R298 E299 L300 | L234-I296 HydrophobicContact CB-CG2 4.36Å; A235-I296 HydrophobicContact CB-CD1 4.15Å; A235-I296 HydrophobicContact CB-CG2 4.26Å; L240-I296 HydrophobicContact CD1-CD1 4Å; L248-I296 HydrophobicContact CD1-CD1 4.11Å; L248-I296 HydrophobicContact CD2-CD1 4.21Å; L248-I296 HydrophobicContact CD2-CG1 3.81Å; L252-I296 HydrophobicContact CD2-CD1 4.33Å; V293-I296 PolarHBondContact O-N 3.3Å; Y294-I296 VanDerWaalsContact C-N 3.3Å; Y294-I296 PolarHBondContact O-N 3.27Å; I296-R298 VanDerWaalsContact C-N 3.34Å; I296-E299 PolarHBondContact O-N 3.21Å; I296-L300 WeakPolarHBondContact O-CB 3.2Å; I296-L300 PolarHBondContact O-N 3.14Å |
| 297 | V | 98.3 | Very high | 97.2 | Very high | 0 Ų | 0 | 53.5 Ų | 53.5 | 0% | 0 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -69.2 | -34.3 | -179.5 | -173.3 | 0 | 0 | 0 | 0 | 111.2 | L272 V293 Y294 P295 L300 H301 C313 L316 V317 L320 | L272-V297 HydrophobicContact CD2-CG1 4.27Å; V293-V297 HydrophobicContact CG1-CG2 3.86Å; V293-V297 PolarHBondContact O-N 2.96Å; Y294-V297 PolarHBondContact O-N 3.41Å; Y294-V297 VanDerWaalsContact O-N 3.14Å; P295-V297 PolarHBondContact O-N 2.91Å; V297-L300 PolarHBondContact O-N 3.15Å; V297-H301 WeakPolarHBondContact O-CB 3.42Å; V297-H301 PolarHBondContact O-N 3.36Å; V297-C313 HydrophobicContact CG1-CB 3.97Å; V297-L316 HydrophobicContact CG1-CD2 4.28Å; V297-L316 HydrophobicContact CG2-CD2 3.71Å; V297-L316 HydrophobicContact CG2-CG 4.39Å; V297-V317 HydrophobicContact CB-CG2 4.24Å; V297-V317 HydrophobicContact CG1-CG2 3.67Å; V297-L320 HydrophobicContact CG2-CD1 4.42Å |
| 298 | R | 97.4 | Very high | 97.1 | Very high | 49 Ų | 49 | 54.6 Ų | 54.6 | 19% | 0.185 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -62.7 | -49.4 | 175.4 | -178.9 | -171 | 72.1 | -149.2 | -3.4 | 111.6 | E244 Y294 P295 I296 H301 R302 | E244-R298 IonicContact OE1-CZ 3.99Å; E244-R298 VanDerWaalsContact OE1-CZ 3.28Å; E244-R298 IonicContact OE1-NH1 3.43Å; E244-R298 PolarHBondContact OE1-NH1 2.74Å; E244-R298 IonicContact OE1-NH2 3.54Å; E244-R298 PolarHBondContact OE1-NH2 3.2Å; E244-R298 IonicContact OE2-NH2 3.61Å; E244-R298 PolarHBondContact OE2-NH2 3.38Å; Y294-R298 HydrophobicContact CE2-CB 4.09Å; Y294-R298 WeakPolarHBondContact O-CB 3.4Å; Y294-R298 PolarHBondContact O-N 2.85Å; P295-R298 PolarHBondContact O-N 3.07Å; I296-R298 VanDerWaalsContact C-N 3.34Å; R298-H301 PolarHBondContact O-N 3.15Å; R298-R302 WeakPolarHBondContact O-CG 3.34Å; R298-R302 PolarHBondContact O-N 3.47Å; R298-R302 VanDerWaalsContact O-N 3.16Å |
| 299 | E | 97.8 | Very high | 97.1 | Very high | 24 Ų | 24 | 54.6 Ų | 54.6 | 11% | 0.112 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -69.7 | -35 | 178.3 | -59.9 | -42.8 | 136.3 | 0 | 0 | 111.6 | E238 L240 P295 I296 R302 W303 | E238-E299 HydrophobicContact CB-CB 4.48Å; E238-E299 HydrophobicContact CB-CG 4.18Å; E238-E299 HydrophobicContact CG-CB 4.18Å; E238-E299 HydrophobicContact CG-CG 4.29Å; L240-E299 HydrophobicContact CD2-CG 3.98Å; P295-E299 PolarHBondContact O-N 3.32Å; I296-E299 PolarHBondContact O-N 3.21Å; E299-R302 VanDerWaalsContact CD-NH1 3.28Å; E299-R302 PolarHBondContact O-N 2.99Å; E299-R302 IonicContact OE1-CZ 2.94Å; E299-R302 IonicContact OE1-NH1 3.63Å; E299-R302 PolarHBondContact OE1-NH1 3.27Å; E299-R302 WeakPolarHBondContact OE2-CD 3.34Å; E299-R302 IonicContact OE2-CZ 2.77Å; E299-R302 IonicContact OE2-NH1 3.6Å; E299-R302 PolarHBondContact OE2-NH1 2.64Å; E299-W303 WeakPolarHBondContact O-CB 3.22Å; E299-W303 PolarHBondContact O-N 2.97Å; E299-W303 VanDerWaalsContact O-N 3.09Å |
| 300 | L | 98.2 | Very high | 97.1 | Very high | 0 Ų | 0 | 52.1 Ų | 52.1 | 0% | 0 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -58.2 | -50.8 | 170.5 | 175.8 | 68.1 | 0 | 0 | 0 | 111.5 | L234 L272 I296 V297 R302 W303 E304 | L234-L300 HydrophobicContact CB-CD2 4.15Å; L234-L300 HydrophobicContact CD1-CD2 4.29Å; L234-L300 HydrophobicContact CD2-CD2 3.92Å; L234-L300 HydrophobicContact CG-CD2 4.34Å; L272-L300 HydrophobicContact CD1-CD2 4.08Å; L272-L300 HydrophobicContact CD2-CD2 3.96Å; L272-L300 HydrophobicContact CG-CD2 4.29Å; I296-L300 WeakPolarHBondContact O-CB 3.2Å; I296-L300 PolarHBondContact O-N 3.14Å; V297-L300 PolarHBondContact O-N 3.15Å; L300-R302 VanDerWaalsContact C-N 3.28Å; L300-R302 PolarHBondContact O-N 3.27Å; L300-W303 HydrophobicContact CD1-CE3 3.99Å; L300-W303 HydrophobicContact CD1-CZ3 4.23Å; L300-W303 PolarHBondContact O-N 3.3Å; L300-W303 VanDerWaalsContact O-N 3.07Å; L300-E304 VanDerWaalsContact O-CB 3.29Å; L300-E304 WeakPolarHBondContact O-CB 3.31Å; L300-E304 PolarHBondContact O-N 3.5Å |
| 301 | H | 98 | Very high | 97.2 | Very high | 74 Ų | 74 | 45.6 Ų | 45.6 | 34% | 0.343 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -58.9 | -38.4 | -179.4 | 179 | -109.6 | 0 | 0 | 0 | 112.4 | V297 R298 C313 E314 | V297-H301 WeakPolarHBondContact O-CB 3.42Å; V297-H301 PolarHBondContact O-N 3.36Å; R298-H301 PolarHBondContact O-N 3.15Å; H301-C313 HydrophobicContact CB-CB 3.86Å; H301-E314 IonicContact CE1-OE1 3.99Å; H301-E314 WeakPolarHBondContact NE2-CG 3.42Å; H301-E314 IonicContact NE2-OE1 3.12Å; H301-E314 PolarHBondContact NE2-OE1 3.04Å |
| 302 | R | 97 | Very high | 97.2 | Very high | 167 Ų | 167 | 42.6 Ų | 42.6 | 63% | 0.63 | 19% | 0.191 | S | C | * | . | H | α-helix | trans | -66.7 | -35 | 175.2 | -72.6 | 173.7 | 177.7 | 167.2 | 0.4 | 113.4 | R298 E299 L300 | R298-R302 WeakPolarHBondContact O-CG 3.34Å; R298-R302 PolarHBondContact O-N 3.47Å; R298-R302 VanDerWaalsContact O-N 3.16Å; E299-R302 VanDerWaalsContact CD-NH1 3.28Å; E299-R302 PolarHBondContact O-N 2.99Å; E299-R302 IonicContact OE1-CZ 2.94Å; E299-R302 IonicContact OE1-NH1 3.63Å; E299-R302 PolarHBondContact OE1-NH1 3.27Å; E299-R302 WeakPolarHBondContact OE2-CD 3.34Å; E299-R302 IonicContact OE2-CZ 2.77Å; E299-R302 IonicContact OE2-NH1 3.6Å; E299-R302 PolarHBondContact OE2-NH1 2.64Å; L300-R302 VanDerWaalsContact C-N 3.28Å; L300-R302 PolarHBondContact O-N 3.27Å |
| 303 | W | 97.4 | Very high | 97.3 | Very high | 104 Ų | 104 | 40.4 Ų | 40.4 | 39% | 0.394 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -82.9 | -26.9 | -179.7 | 172.6 | 90.1 | 0 | 0 | 0 | 112.9 | R261 E299 L300 | R261-W303 HydrophobicContact CB-CH2 4.05Å; R261-W303 HydrophobicContact CB-CZ2 4.43Å; R261-W303 HydrophobicContact CB-CZ3 4.27Å; E299-W303 WeakPolarHBondContact O-CB 3.22Å; E299-W303 PolarHBondContact O-N 2.97Å; E299-W303 VanDerWaalsContact O-N 3.09Å; L300-W303 HydrophobicContact CD1-CE3 3.99Å; L300-W303 HydrophobicContact CD1-CZ3 4.23Å; L300-W303 PolarHBondContact O-N 3.3Å; L300-W303 VanDerWaalsContact O-N 3.07Å |
| 304 | E | 97.1 | Very high | 97.2 | Very high | 23 Ų | 23 | 45 Ų | 45 | 11% | 0.107 | 20% | 0.2 | C | C | . | . | trans | -67.3 | 140.4 | -170.6 | -174.7 | 56.4 | -103.4 | 0 | 0 | 113.2 | R268 L300 D306 V309 | R268-E304 IonicContact CZ-OE1 3.44Å; R268-E304 IonicContact CZ-OE2 3.41Å; R268-E304 IonicContact NE-OE1 2.81Å; R268-E304 IonicContact NE-OE2 3.91Å; R268-E304 PolarHBondContact NE-OE2 2.88Å; R268-E304 IonicContact NH2-OE1 3.68Å; R268-E304 PolarHBondContact NH2-OE1 3.33Å; R268-E304 IonicContact NH2-OE2 2.88Å; R268-E304 PolarHBondContact NH2-OE2 3.31Å; L300-E304 VanDerWaalsContact O-CB 3.29Å; L300-E304 WeakPolarHBondContact O-CB 3.31Å; L300-E304 PolarHBondContact O-N 3.5Å; E304-D306 WeakPolarHBondContact CG-O 3.36Å; E304-D306 WeakPolarHBondContact OE1-CB 3.34Å; E304-D306 PolarHBondContact OE1-N 3.41Å; E304-V309 HydrophobicContact CG-CB 3.68Å; E304-V309 HydrophobicContact CG-CG1 3.77Å; E304-V309 WeakPolarHBondContact OE2-CG1 3.44Å | ||
| 305 | K | 94.3 | Very high | 97.2 | Very high | 166 Ų | 166 | 44.4 Ų | 44.4 | 72% | 0.722 | 20% | 0.199 | S | C | * | . | trans | -113.4 | -25.2 | 179.7 | -60.3 | -178.8 | -176.7 | 179.6 | 0 | 112.4 | R363 | K305-R363 PolarHBondContact O-NH1 2.87Š| ||
| 306 | D | 96.1 | Very high | 97.2 | Very high | 45 Ų | 45 | 44 Ų | 44 | 24% | 0.241 | 20% | 0.197 | C | C | . | . | trans | -76.2 | 125.7 | 176.7 | -173.9 | -79.1 | 0 | 0 | 0 | 110.6 | P265 E304 H308 V309 G310 | P265-D306 HydrophobicContact CB-CB 4.07Å; E304-D306 WeakPolarHBondContact CG-O 3.36Å; E304-D306 WeakPolarHBondContact OE1-CB 3.34Å; E304-D306 PolarHBondContact OE1-N 3.41Å; D306-H308 VanDerWaalsContact C-N 3.31Å; D306-H308 PolarHBondContact O-N 3.04Å; D306-H308 WeakPolarHBondContact OD1-CA 3.38Å; D306-H308 VanDerWaalsContact OD1-CB 3.29Å; D306-H308 WeakPolarHBondContact OD1-CB 3.21Å; D306-H308 PolarHBondContact OD1-N 3.41Å; D306-H308 IonicContact OD1-ND1 3.64Å; D306-V309 HydrophobicContact CB-CB 4.08Å; D306-V309 HydrophobicContact CB-CG2 3.76Å; D306-V309 PolarHBondContact O-N 3.5Å; D306-V309 PolarHBondContact OD1-N 3.39Å; D306-G310 PolarHBondContact O-N 2.95Å | ||
| 307 | V | 95.8 | Very high | 97.2 | Very high | 13 Ų | 13 | 45 Ų | 45 | 8% | 0.079 | 20% | 0.203 | C | C | . | . | H | α-helix | trans | -65.6 | -34.7 | -175.9 | -62.7 | 0 | 0 | 0 | 0 | 112.3 | G310 A311 L356 E359 E360 R363 | V307-G310 PolarHBondContact O-N 3.46Å; V307-A311 PolarHBondContact O-N 3.43Å; V307-L356 HydrophobicContact CB-CD2 4.18Å; V307-L356 HydrophobicContact CG2-CD2 4.39Å; V307-E359 HydrophobicContact CG1-CB 4.4Å; V307-E359 HydrophobicContact CG1-CG 3.82Å; V307-E360 HydrophobicContact CG2-CB 4.08Å; V307-R363 VanDerWaalsContact CG1-CZ 3.47Å |
| 308 | H | 96.1 | Very high | 97 | Very high | 49 Ų | 49 | 51.4 Ų | 51.4 | 23% | 0.227 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -73.9 | -37.3 | -179.9 | -62.2 | 90.6 | 0 | 0 | 0 | 111.2 | K269 D306 A312 E360 | K269-H308 HydrophobicContact CD-CB 4.09Å; D306-H308 VanDerWaalsContact C-N 3.31Å; D306-H308 PolarHBondContact O-N 3.04Å; D306-H308 WeakPolarHBondContact OD1-CA 3.38Å; D306-H308 VanDerWaalsContact OD1-CB 3.29Å; D306-H308 WeakPolarHBondContact OD1-CB 3.21Å; D306-H308 PolarHBondContact OD1-N 3.41Å; D306-H308 IonicContact OD1-ND1 3.64Å; H308-A312 PolarHBondContact O-N 3.41Å; H308-A312 VanDerWaalsContact O-N 3.09Å; H308-E360 IonicContact CE1-OE2 3.16Å; H308-E360 PolarHBondContact CE1-OE2 3.47Å |
| 309 | V | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -68.6 | -39.9 | 172.9 | -173.7 | 0 | 0 | 0 | 0 | 110.6 | P265 R268 K269 L272 E304 D306 A312 C313 | P265-V309 HydrophobicContact CB-CG2 3.95Å; P265-V309 VanDerWaalsContact O-CG2 3.31Å; P265-V309 WeakPolarHBondContact O-CG2 3.46Å; R268-V309 HydrophobicContact CB-CG1 3.97Å; R268-V309 HydrophobicContact CB-CG2 4.39Å; K269-V309 HydrophobicContact CB-CG2 4.08Å; L272-V309 HydrophobicContact CD1-CG1 3.63Å; E304-V309 HydrophobicContact CG-CB 3.68Å; E304-V309 HydrophobicContact CG-CG1 3.77Å; E304-V309 WeakPolarHBondContact OE2-CG1 3.44Å; D306-V309 HydrophobicContact CB-CB 4.08Å; D306-V309 HydrophobicContact CB-CG2 3.76Å; D306-V309 PolarHBondContact O-N 3.5Å; D306-V309 PolarHBondContact OD1-N 3.39Å; V309-A312 WeakPolarHBondContact O-CB 3.43Å; V309-A312 PolarHBondContact O-N 3.18Å; V309-C313 PolarHBondContact O-N 3.06Å; V309-C313 PolarHBondContact O-SG 2.88Å |
| 310 | G | 97.5 | Very high | 96.8 | Very high | 10 Ų | 10 | 50.3 Ų | 50.3 | 10% | 0.103 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -56.8 | -49.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.2 | D306 V307 A312 C313 E314 | D306-G310 PolarHBondContact O-N 2.95Å; V307-G310 PolarHBondContact O-N 3.46Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 3.18Å; G310-C313 VanDerWaalsContact O-CB 3.31Å; G310-C313 WeakPolarHBondContact O-CB 3.26Å; G310-C313 PolarHBondContact O-N 3.42Å; G310-C313 VanDerWaalsContact O-N 3.11Å; G310-E314 PolarHBondContact O-N 3.04Å |
| 311 | A | 96.8 | Very high | 96.5 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 8% | 0.083 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -60.4 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | V307 C313 E314 K315 L356 | V307-A311 PolarHBondContact O-N 3.43Å; A311-C313 VanDerWaalsContact C-N 3.31Å; A311-C313 PolarHBondContact O-N 3.5Å; A311-E314 PolarHBondContact O-N 3.16Å; A311-K315 WeakPolarHBondContact O-CG 3.4Å; A311-K315 PolarHBondContact O-N 2.9Å; A311-L356 HydrophobicContact CB-CD1 4.06Å; A311-L356 HydrophobicContact CB-CD2 3.94Å |
| 312 | A | 97.9 | Very high | 96.3 | Very high | 12 Ų | 12 | 53.3 Ų | 53.3 | 10% | 0.099 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.9 | -36.6 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | K269 L272 H308 V309 G310 L316 | K269-A312 HydrophobicContact CG-CB 4.46Å; L272-A312 HydrophobicContact CB-CB 4.03Å; L272-A312 HydrophobicContact CD1-CB 3.83Å; H308-A312 PolarHBondContact O-N 3.41Å; H308-A312 VanDerWaalsContact O-N 3.09Å; V309-A312 WeakPolarHBondContact O-CB 3.43Å; V309-A312 PolarHBondContact O-N 3.18Å; G310-A312 VanDerWaalsContact C-N 3.33Å; G310-A312 PolarHBondContact O-N 3.18Å; A312-L316 PolarHBondContact O-N 3.2Å |
| 313 | C | 98.3 | Very high | 96 | Very high | 0 Ų | 0 | 53 Ų | 53 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -62.8 | -46.4 | 172.4 | -64.7 | 0 | 0 | 0 | 0 | 111 | L272 V297 H301 V309 G310 A311 K315 L316 V317 | L272-C313 WeakPolarHBondContact CD1-SG 3.18Å; V297-C313 HydrophobicContact CG1-CB 3.97Å; H301-C313 HydrophobicContact CB-CB 3.86Å; V309-C313 PolarHBondContact O-N 3.06Å; V309-C313 PolarHBondContact O-SG 2.88Å; G310-C313 VanDerWaalsContact O-CB 3.31Å; G310-C313 WeakPolarHBondContact O-CB 3.26Å; G310-C313 PolarHBondContact O-N 3.42Å; G310-C313 VanDerWaalsContact O-N 3.11Å; A311-C313 VanDerWaalsContact C-N 3.31Å; A311-C313 PolarHBondContact O-N 3.5Å; C313-K315 PolarHBondContact O-N 3.02Å; C313-L316 PolarHBondContact O-N 3.45Å; C313-V317 WeakPolarHBondContact O-CB 3.37Å; C313-V317 VanDerWaalsContact O-CG2 3.27Å; C313-V317 WeakPolarHBondContact O-CG2 3.37Å; C313-V317 PolarHBondContact O-N 2.88Å |
| 314 | E | 96.7 | Very high | 95.8 | Very high | 97 Ų | 97 | 51 Ų | 51 | 45% | 0.453 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -60.1 | -44.9 | -179.3 | -70.5 | 175.5 | -167 | 0 | 0 | 111.8 | H301 G310 A311 L316 V317 Q318 | H301-E314 IonicContact CE1-OE1 3.99Å; H301-E314 WeakPolarHBondContact NE2-CG 3.42Å; H301-E314 IonicContact NE2-OE1 3.12Å; H301-E314 PolarHBondContact NE2-OE1 3.04Å; G310-E314 PolarHBondContact O-N 3.04Å; A311-E314 PolarHBondContact O-N 3.16Å; E314-L316 VanDerWaalsContact C-N 3.35Å; E314-L316 PolarHBondContact O-N 3.06Å; E314-V317 PolarHBondContact O-N 2.93Å; E314-Q318 WeakPolarHBondContact O-CB 3.44Å; E314-Q318 VanDerWaalsContact O-CG 3.27Å; E314-Q318 WeakPolarHBondContact O-CG 3.45Å; E314-Q318 PolarHBondContact O-N 2.61Å |
| 315 | K | 96.3 | Very high | 95.6 | Very high | 72 Ų | 72 | 51.8 Ų | 51.8 | 31% | 0.313 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -57.7 | -46.7 | 174.8 | -70.8 | -178.5 | -176.2 | -171.2 | 0 | 111.9 | L276 A311 C313 Q318 V319 E352 | L276-K315 HydrophobicContact CD2-CB 4.27Å; A311-K315 WeakPolarHBondContact O-CG 3.4Å; A311-K315 PolarHBondContact O-N 2.9Å; C313-K315 PolarHBondContact O-N 3.02Å; K315-Q318 PolarHBondContact O-N 3.32Å; K315-V319 PolarHBondContact O-N 3.44Å; K315-E352 VanDerWaalsContact CE-CD 3.48Å; K315-E352 WeakPolarHBondContact CE-OE1 3.5Å; K315-E352 WeakPolarHBondContact CE-OE2 3.46Å; K315-E352 VanDerWaalsContact NZ-CD 3.32Å; K315-E352 IonicContact NZ-OE1 2.73Å; K315-E352 PolarHBondContact NZ-OE1 3.08Å; K315-E352 IonicContact NZ-OE2 3.31Å; K315-E352 PolarHBondContact NZ-OE2 3.16Å |
| 316 | L | 97.9 | Very high | 95.3 | Very high | 0 Ų | 0 | 51.1 Ų | 51.1 | 0% | 0 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -65.6 | -43.3 | 178.4 | -177.6 | 57.4 | 0 | 0 | 0 | 111.6 | L272 L275 L276 T279 V297 A312 C313 E314 Q318 V319 L320 | L272-L316 HydrophobicContact CD2-CD2 3.84Å; L275-L316 HydrophobicContact CB-CD1 4.23Å; L275-L316 HydrophobicContact CB-CD2 3.72Å; L275-L316 HydrophobicContact CD1-CD2 3.94Å; L275-L316 HydrophobicContact CG-CD2 4.49Å; L276-L316 HydrophobicContact CB-CD1 4.48Å; L276-L316 HydrophobicContact CD1-CD1 4.47Å; T279-L316 HydrophobicContact CG2-CD1 4.04Å; V297-L316 HydrophobicContact CG1-CD2 4.28Å; V297-L316 HydrophobicContact CG2-CD2 3.71Å; V297-L316 HydrophobicContact CG2-CG 4.39Å; A312-L316 PolarHBondContact O-N 3.2Å; C313-L316 PolarHBondContact O-N 3.45Å; E314-L316 VanDerWaalsContact C-N 3.35Å; E314-L316 PolarHBondContact O-N 3.06Å; L316-Q318 PolarHBondContact O-N 3.04Å; L316-V319 PolarHBondContact O-N 3.07Å; L316-L320 HydrophobicContact CD1-CD1 4.26Å; L316-L320 HydrophobicContact CD1-CG 4.27Å; L316-L320 HydrophobicContact CG-CD1 3.96Å; L316-L320 HydrophobicContact CG-CG 4.4Å; L316-L320 VanDerWaalsContact O-CG 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.3Å; L316-L320 PolarHBondContact O-N 3.29Å |
| 317 | V | 97.3 | Very high | 94.7 | Very high | 29 Ų | 29 | 56.9 Ų | 56.9 | 18% | 0.176 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -60.5 | -43.5 | 177.5 | 167.6 | 0 | 0 | 0 | 0 | 111.6 | Y294 V297 C313 E314 V319 L320 I321 | Y294-V317 HydrophobicContact CD2-CG1 4.24Å; Y294-V317 HydrophobicContact CD2-CG2 4.25Å; Y294-V317 HydrophobicContact CE2-CG1 3.83Å; Y294-V317 HydrophobicContact CE2-CG2 4.23Å; V297-V317 HydrophobicContact CB-CG2 4.24Å; V297-V317 HydrophobicContact CG1-CG2 3.67Å; C313-V317 WeakPolarHBondContact O-CB 3.37Å; C313-V317 VanDerWaalsContact O-CG2 3.27Å; C313-V317 WeakPolarHBondContact O-CG2 3.37Å; C313-V317 PolarHBondContact O-N 2.88Å; E314-V317 PolarHBondContact O-N 2.93Å; V317-V319 VanDerWaalsContact C-N 3.26Å; V317-V319 PolarHBondContact O-N 3.47Å; V317-L320 PolarHBondContact O-N 3.49Å; V317-L320 VanDerWaalsContact O-N 3.12Å; V317-I321 HydrophobicContact CG1-CD1 3.48Å; V317-I321 VanDerWaalsContact CG1-CD1 3.48Å; V317-I321 HydrophobicContact CG1-CG1 4.08Å; V317-I321 WeakPolarHBondContact O-CG1 3.46Å; V317-I321 PolarHBondContact O-N 2.98Å |
| 318 | Q | 95 | Very high | 94.1 | Very high | 136 Ų | 136 | 59.6 Ų | 59.6 | 64% | 0.636 | 33% | 0.331 | S | S | * | . | H | α-helix | trans | -56.3 | -42.1 | 177.1 | -75.5 | 174 | 13 | 0 | 0 | 111.5 | E314 K315 L316 G322 | E314-Q318 WeakPolarHBondContact O-CB 3.44Å; E314-Q318 VanDerWaalsContact O-CG 3.27Å; E314-Q318 WeakPolarHBondContact O-CG 3.45Å; E314-Q318 PolarHBondContact O-N 2.61Å; K315-Q318 PolarHBondContact O-N 3.32Å; L316-Q318 PolarHBondContact O-N 3.04Å; Q318-G322 WeakPolarHBondContact O-CA 3.36Å; Q318-G322 PolarHBondContact O-N 2.89Å |
| 319 | V | 95.4 | Very high | 93.8 | Very high | 39 Ų | 39 | 61 Ų | 61 | 24% | 0.236 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.3 | -39 | 176.9 | 179.9 | 0 | 0 | 0 | 0 | 111.9 | L276 T279 R285 R289 K315 L316 V317 | L276-V319 HydrophobicContact CD1-CG2 3.94Å; T279-V319 HydrophobicContact CG2-CG1 4.16Å; R285-V319 HydrophobicContact CG-CG1 4.08Å; R289-V319 PolarHBondContact NH2-O 3.45Å; K315-V319 PolarHBondContact O-N 3.44Å; L316-V319 PolarHBondContact O-N 3.07Å; V317-V319 VanDerWaalsContact C-N 3.26Å; V317-V319 PolarHBondContact O-N 3.47Å |
| 320 | L | 95.1 | Very high | 93.4 | Very high | 11 Ų | 11 | 65.5 Ų | 65.5 | 6% | 0.058 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -70.6 | -40.2 | -177.5 | -68.5 | 174.4 | 0 | 0 | 0 | 113 | T279 L288 R289 V293 V297 L316 V317 | T279-L320 HydrophobicContact CG2-CD2 4.44Å; L288-L320 HydrophobicContact CB-CD2 3.8Å; L288-L320 HydrophobicContact CD2-CD2 4.49Å; R289-L320 WeakPolarHBondContact CD-O 3.39Å; R289-L320 HydrophobicContact CG-CD2 4.35Å; R289-L320 WeakPolarHBondContact CG-O 3.49Å; R289-L320 PolarHBondContact NE-O 2.9Å; V293-L320 HydrophobicContact CB-CD1 4.26Å; V293-L320 HydrophobicContact CG1-CD1 3.88Å; V297-L320 HydrophobicContact CG2-CD1 4.42Å; L316-L320 HydrophobicContact CD1-CD1 4.26Å; L316-L320 HydrophobicContact CD1-CG 4.27Å; L316-L320 HydrophobicContact CG-CD1 3.96Å; L316-L320 HydrophobicContact CG-CG 4.4Å; L316-L320 VanDerWaalsContact O-CG 3.31Å; L316-L320 WeakPolarHBondContact O-CG 3.3Å; L316-L320 PolarHBondContact O-N 3.29Å; V317-L320 PolarHBondContact O-N 3.49Å; V317-L320 VanDerWaalsContact O-N 3.12Å |
| 321 | I | 93.6 | Very high | 93.2 | Very high | 105 Ų | 105 | 65.9 Ų | 65.9 | 54% | 0.538 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -84.3 | -30 | 179.6 | -57.7 | 177.4 | 0 | 0 | 0 | 111.7 | Y294 V317 | Y294-I321 HydrophobicContact CD2-CD1 4.05Å; Y294-I321 HydrophobicContact CD2-CG1 3.96Å; Y294-I321 HydrophobicContact CE2-CD1 3.49Å; Y294-I321 VanDerWaalsContact CE2-CD1 3.49Å; Y294-I321 HydrophobicContact CE2-CG1 3.94Å; V317-I321 HydrophobicContact CG1-CD1 3.48Å; V317-I321 VanDerWaalsContact CG1-CD1 3.48Å; V317-I321 HydrophobicContact CG1-CG1 4.08Å; V317-I321 WeakPolarHBondContact O-CG1 3.46Å; V317-I321 PolarHBondContact O-N 2.98Å |
| 322 | G | 91.9 | Very high | 92.8 | Very high | 31 Ų | 31 | 68.9 Ų | 68.9 | 32% | 0.32 | 37% | 0.374 | S | S | . | . | S | Bend | trans | -61.6 | 154.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | R289 Q318 | R289-G322 PolarHBondContact NH2-O 3.18Å; Q318-G322 WeakPolarHBondContact O-CA 3.36Å; Q318-G322 PolarHBondContact O-N 2.89Å |
| 323 | D | 91.8 | Very high | 92.3 | Very high | 160 Ų | 160 | 73 Ų | 73 | 86% | 0.856 | 39% | 0.392 | S | S | * | . | P | Polyproline II helix | trans | -60 | 153 | 174.2 | -69.4 | -42.8 | 0 | 0 | 0 | 111.4 | ||
| 324 | E | 93.5 | Very high | 91.9 | Very high | 62 Ų | 62 | 79.1 Ų | 79.1 | 29% | 0.29 | 42% | 0.421 | S | S | . | . | P | Polyproline II helix | trans | -64.4 | 132.3 | 175.4 | -172.9 | 58 | -154.8 | 0 | 0 | 110.2 | K282 R285 R289 | K282-E324 WeakPolarHBondContact CG-OE1 3.28Å; R285-E324 IonicContact CZ-OE1 3.39Å; R285-E324 VanDerWaalsContact CZ-OE1 3.29Å; R285-E324 IonicContact NE-OE1 2.73Å; R285-E324 PolarHBondContact NE-OE1 2.97Å; R285-E324 IonicContact NE-OE2 2.77Å; R285-E324 PolarHBondContact NE-OE2 3.32Å; R285-E324 IonicContact NH2-OE1 3.9Å; R285-E324 PolarHBondContact NH2-OE1 3.13Å; R289-E324 IonicContact CZ-OE2 3.96Å; R289-E324 IonicContact NH1-OE2 2.95Å; R289-E324 PolarHBondContact NH1-OE2 3.32Å; R289-E324 IonicContact NH2-OE2 3.18Å |
| 325 | P | 91.4 | Very high | 91.5 | Very high | 41 Ų | 41 | 76.6 Ų | 76.6 | 27% | 0.266 | 41% | 0.412 | S | S | . | . | P | Polyproline II helix | trans | -53.4 | 158 | 176.3 | -29.6 | 36.4 | 0 | 0 | 0 | 113.8 | M329 L332 | P325-M329 HydrophobicContact CB-CB 3.7Å; P325-L332 HydrophobicContact CB-CD2 4.49Å; P325-L332 HydrophobicContact CG-CD2 4.23Å |
| 326 | Q | 88.4 | Confident | 91 | Very high | 152 Ų | 152 | 80.8 Ų | 80.8 | 71% | 0.71 | 44% | 0.437 | S | S | * | . | P | Polyproline II helix | trans | -61.3 | 157.1 | -177.6 | -60.1 | 177.2 | 27.3 | 0 | 0 | 112 | G328 M329 | Q326-G328 PolarHBondContact O-N 2.82Å; Q326-M329 WeakPolarHBondContact O-CB 3.15Å; Q326-M329 PolarHBondContact O-N 3.28Å |
| 327 | L | 83.4 | Confident | 90.4 | Very high | 165 Ų | 165 | 84.8 Ų | 84.8 | 86% | 0.864 | 46% | 0.458 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -53.8 | 126.3 | 173 | -75.1 | 160.5 | 0 | 0 | 0 | 110.1 | ||
| 328 | G | 84.6 | Confident | 90.1 | Very high | 70 Ų | 70 | 87 Ų | 87 | 72% | 0.722 | 47% | 0.473 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 100.6 | -11.9 | -172 | 0 | 0 | 0 | 0 | 0 | 114.6 | Q326 | Q326-G328 PolarHBondContact O-N 2.82Š|
| 329 | M | 88.8 | Confident | 89.8 | Confident | 78 Ų | 78 | 88.1 Ų | 88.1 | 38% | 0.384 | 48% | 0.478 | S | S | . | . | trans | -107 | 36.1 | 173.6 | -63.1 | 179.9 | 169.6 | 0 | 0 | 111.8 | R285 P325 Q326 N331 L332 V335 | R285-M329 PolarHBondContact NH2-O 3.23Å; P325-M329 HydrophobicContact CB-CB 3.7Å; Q326-M329 WeakPolarHBondContact O-CB 3.15Å; Q326-M329 PolarHBondContact O-N 3.28Å; M329-N331 VanDerWaalsContact C-N 3.32Å; M329-N331 PolarHBondContact O-N 3.18Å; M329-L332 HydrophobicContact CB-CD2 4.32Å; M329-V335 HydrophobicContact CB-CG2 4.29Å; M329-V335 HydrophobicContact CE-CG1 4.5Å; M329-V335 HydrophobicContact CG-CG2 4.13Å | ||
| 330 | E | 90.2 | Very high | 89.6 | Confident | 95 Ų | 95 | 90.5 Ų | 90.5 | 44% | 0.444 | 49% | 0.49 | S | S | . | . | S | Bend | trans | -69.7 | -33.1 | -177.7 | -60.7 | -165.3 | 138.3 | 0 | 0 | 111.8 | T281 K282 R285 | T281-E330 CarbonylContact C-O 3.46Å; T281-E330 WeakPolarHBondContact CA-O 3.37Å; K282-E330 HydrophobicContact CB-CB 4.14Å; K282-E330 HydrophobicContact CD-CB 4.32Å; K282-E330 HydrophobicContact CD-CG 3.93Å; K282-E330 WeakPolarHBondContact CD-OE1 3.32Å; K282-E330 PolarHBondContact N-O 3.43Å; K282-E330 IonicContact NZ-OE1 2.93Å; K282-E330 PolarHBondContact NZ-OE1 2.74Å; R285-E330 PolarHBondContact NH2-O 2.86Å |
| 331 | N | 92.4 | Very high | 89.4 | Confident | 19 Ų | 19 | 92.7 Ų | 92.7 | 10% | 0.102 | 50% | 0.503 | C | S | . | . | B | Isolated β-bridge | trans | -120.2 | 107 | 172.7 | -176.8 | 4.4 | 0 | 0 | 0 | 109.9 | H213 M329 M333 E334 V335 | H213-N331 PolarHBondContact CE1-ND2 3.47Å; H213-N331 VanDerWaalsContact CE1-ND2 3.25Å; H213-N331 PolarHBondContact ND1-ND2 3.12Å; M329-N331 VanDerWaalsContact C-N 3.32Å; M329-N331 PolarHBondContact O-N 3.18Å; N331-M333 PolarHBondContact O-N 2.83Å; N331-M333 WeakPolarHBondContact OD1-CB 3.25Å; N331-M333 PolarHBondContact OD1-N 3.04Å; N331-M333 VanDerWaalsContact OD1-N 3.17Å; N331-E334 HydrophobicContact CB-CB 4.4Å; N331-E334 WeakPolarHBondContact CB-OE2 3.45Å; N331-E334 WeakPolarHBondContact ND2-CG 3.22Å; N331-E334 PolarHBondContact ND2-OE2 3.1Å; N331-E334 PolarHBondContact O-N 2.97Å; N331-E334 VanDerWaalsContact O-N 3.14Å; N331-V335 WeakPolarHBondContact O-CG2 3.49Å |
| 332 | L | 89.6 | Confident | 89.1 | Confident | 73 Ų | 73 | 91.2 Ų | 91.2 | 38% | 0.382 | 49% | 0.494 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.7 | -18.7 | -176.3 | -59.5 | 177.7 | 0 | 0 | 0 | 112.8 | A280 P325 M329 E334 | A280-L332 WeakPolarHBondContact O-CG 3.29Å; A280-L332 PolarHBondContact O-N 3.36Å; P325-L332 HydrophobicContact CB-CD2 4.49Å; P325-L332 HydrophobicContact CG-CD2 4.23Å; M329-L332 HydrophobicContact CB-CD2 4.32Å; L332-E334 VanDerWaalsContact C-N 3.32Å |
| 333 | M | 86.7 | Confident | 89.1 | Confident | 98 Ų | 98 | 93.7 Ų | 93.7 | 48% | 0.483 | 50% | 0.5 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -78.8 | -14.3 | 176.7 | -57.4 | -63 | -72.9 | 0 | 0 | 113.5 | A280 N331 | A280-M333 HydrophobicContact CB-CG 3.69Å; A280-M333 HydrophobicContact CB-SD 4.15Å; N331-M333 PolarHBondContact O-N 2.83Å; N331-M333 WeakPolarHBondContact OD1-CB 3.25Å; N331-M333 PolarHBondContact OD1-N 3.04Å; N331-M333 VanDerWaalsContact OD1-N 3.17Å |
| 334 | E | 89.6 | Confident | 89.2 | Confident | 129 Ų | 129 | 92 Ų | 92 | 60% | 0.603 | 49% | 0.485 | S | S | * | . | S | Bend | trans | -109.8 | 1.2 | -177.5 | -71.4 | 173.8 | 156.8 | 0 | 0 | 112.5 | H213 N331 L332 D336 | H213-E334 IonicContact CE1-OE1 3.67Å; H213-E334 PolarHBondContact CE1-OE1 3.18Å; H213-E334 IonicContact NE2-OE1 3.61Å; N331-E334 HydrophobicContact CB-CB 4.4Å; N331-E334 WeakPolarHBondContact CB-OE2 3.45Å; N331-E334 WeakPolarHBondContact ND2-CG 3.22Å; N331-E334 PolarHBondContact ND2-OE2 3.1Å; N331-E334 PolarHBondContact O-N 2.97Å; N331-E334 VanDerWaalsContact O-N 3.14Å; L332-E334 VanDerWaalsContact C-N 3.32Å; E334-D336 PolarHBondContact O-N 3.08Å |
| 335 | V | 88.5 | Confident | 89 | Confident | 43 Ų | 43 | 93.1 Ų | 93.1 | 26% | 0.261 | 49% | 0.493 | S | S | . | . | trans | -75.7 | 126 | 179.8 | 177.9 | 0 | 0 | 0 | 0 | 109.6 | M329 N331 I337 | M329-V335 HydrophobicContact CB-CG2 4.29Å; M329-V335 HydrophobicContact CE-CG1 4.5Å; M329-V335 HydrophobicContact CG-CG2 4.13Å; N331-V335 WeakPolarHBondContact O-CG2 3.49Å; V335-I337 PolarHBondContact O-N 3.28Å | ||
| 336 | D | 85.1 | Confident | 89 | Confident | 160 Ų | 160 | 98 Ų | 98 | 86% | 0.856 | 51% | 0.506 | S | S | * | . | trans | -68 | 115 | 170 | -70.8 | -41.1 | 0 | 0 | 0 | 109.9 | E334 | E334-D336 PolarHBondContact O-N 3.08Š| ||
| 337 | I | 85.4 | Confident | 89.2 | Confident | 84 Ų | 84 | 97.5 Ų | 97.5 | 43% | 0.431 | 50% | 0.503 | S | S | . | . | trans | -94.6 | 122.1 | 179.2 | -54.3 | 177.5 | 0 | 0 | 0 | 108.4 | V335 V341 E342 L345 | V335-I337 PolarHBondContact O-N 3.28Å; I337-V341 HydrophobicContact CG2-CB 3.85Å; I337-V341 HydrophobicContact CG2-CG1 3.81Å; I337-E342 HydrophobicContact CG2-CB 4.11Å; I337-L345 HydrophobicContact CD1-CD1 4.45Å; I337-L345 HydrophobicContact CG2-CD1 4.41Å | ||
| 338 | P | 91 | Very high | 89.5 | Confident | 75 Ų | 75 | 92.2 Ų | 92.2 | 49% | 0.487 | 48% | 0.484 | S | S | . | . | trans | -58.1 | 143.7 | 172.5 | -24.5 | 34.7 | 0 | 0 | 0 | 111.9 | D340 V341 E342 | P338-D340 WeakPolarHBondContact CB-OD1 3.37Å; P338-D340 PolarHBondContact O-N 2.67Å; P338-D340 VanDerWaalsContact O-N 3.14Å; P338-V341 HydrophobicContact CB-CG2 4.25Å; P338-V341 HydrophobicContact CG-CG2 4.35Å; P338-V341 WeakPolarHBondContact O-CA 3.28Å; P338-V341 WeakPolarHBondContact O-CB 3.35Å; P338-V341 PolarHBondContact O-N 3.2Å; P338-E342 PolarHBondContact O-N 3.37Å | ||
| 339 | E | 90.4 | Very high | 89.8 | Confident | 161 Ų | 161 | 92.7 Ų | 92.7 | 75% | 0.752 | 47% | 0.47 | S | S | * | . | H | α-helix | trans | -53.2 | -39 | -177.1 | -67.9 | -178.7 | 171.2 | 0 | 0 | 112.7 | V341 E342 D343 | E339-V341 VanDerWaalsContact C-N 3.28Å; E339-V341 PolarHBondContact O-N 3.12Å; E339-E342 PolarHBondContact O-N 3.12Å; E339-D343 PolarHBondContact O-N 2.89Å |
| 340 | D | 90.7 | Very high | 89.9 | Confident | 89 Ų | 89 | 91.6 Ų | 91.6 | 48% | 0.476 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -68.7 | -26.2 | -180 | 78.9 | -71.1 | 0 | 0 | 0 | 113.5 | P338 K344 | P338-D340 WeakPolarHBondContact CB-OD1 3.37Å; P338-D340 PolarHBondContact O-N 2.67Å; P338-D340 VanDerWaalsContact O-N 3.14Å; D340-K344 VanDerWaalsContact O-CD 3.29Å; D340-K344 WeakPolarHBondContact O-CD 3.49Å; D340-K344 WeakPolarHBondContact O-CE 3.44Å; D340-K344 VanDerWaalsContact O-CG 3.24Å; D340-K344 WeakPolarHBondContact O-CG 3.4Å; D340-K344 IonicContact OD2-NZ 3.35Å; D340-K344 PolarHBondContact OD2-NZ 3.04Å |
| 341 | V | 89.7 | Confident | 90.1 | Very high | 56 Ų | 56 | 93.1 Ų | 93.1 | 34% | 0.339 | 48% | 0.478 | S | S | . | . | H | α-helix | trans | -81.6 | -41.4 | 174.5 | 179 | 0 | 0 | 0 | 0 | 109.4 | I337 P338 E339 D343 K344 L345 | I337-V341 HydrophobicContact CG2-CB 3.85Å; I337-V341 HydrophobicContact CG2-CG1 3.81Å; P338-V341 HydrophobicContact CB-CG2 4.25Å; P338-V341 HydrophobicContact CG-CG2 4.35Å; P338-V341 WeakPolarHBondContact O-CA 3.28Å; P338-V341 WeakPolarHBondContact O-CB 3.35Å; P338-V341 PolarHBondContact O-N 3.2Å; E339-V341 VanDerWaalsContact C-N 3.28Å; E339-V341 PolarHBondContact O-N 3.12Å; V341-D343 VanDerWaalsContact C-N 3.34Å; V341-D343 PolarHBondContact O-N 3.11Å; V341-K344 PolarHBondContact O-N 3.24Å; V341-L345 HydrophobicContact CG1-CD1 4.11Å; V341-L345 HydrophobicContact CG1-CG 4.35Å; V341-L345 VanDerWaalsContact O-CG 3.32Å; V341-L345 WeakPolarHBondContact O-CG 3.49Å; V341-L345 PolarHBondContact O-N 3.05Å |
| 342 | E | 88.9 | Confident | 90 | Very high | 74 Ų | 74 | 94.6 Ų | 94.6 | 35% | 0.346 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -58.9 | -45.1 | 176.6 | -168.8 | -179.4 | -177.2 | 0 | 0 | 111.5 | I337 P338 E339 K344 L345 R346 | I337-E342 HydrophobicContact CG2-CB 4.11Å; P338-E342 PolarHBondContact O-N 3.37Å; E339-E342 PolarHBondContact O-N 3.12Å; E342-K344 PolarHBondContact O-N 3.11Å; E342-L345 PolarHBondContact O-N 3.26Å; E342-R346 WeakPolarHBondContact O-CG 3.08Å; E342-R346 PolarHBondContact O-N 3.13Å; E342-R346 IonicContact OE1-CZ 3.96Å; E342-R346 IonicContact OE1-NE 3.67Å; E342-R346 IonicContact OE1-NH2 3.38Å; E342-R346 PolarHBondContact OE1-NH2 3.13Å |
| 343 | D | 91.6 | Very high | 90 | Very high | 84 Ų | 84 | 96.9 Ų | 96.9 | 45% | 0.449 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.6 | -42.1 | 176.9 | -75.2 | -22.2 | 0 | 0 | 0 | 111.9 | E339 V341 L345 R346 E347 | E339-D343 PolarHBondContact O-N 2.89Å; V341-D343 VanDerWaalsContact C-N 3.34Å; V341-D343 PolarHBondContact O-N 3.11Å; D343-L345 PolarHBondContact O-N 3.39Å; D343-R346 PolarHBondContact O-N 3.44Å; D343-E347 WeakPolarHBondContact O-CG 3.45Å; D343-E347 PolarHBondContact O-N 3.35Å |
| 344 | K | 92.5 | Very high | 90.3 | Very high | 123 Ų | 123 | 97.5 Ų | 97.5 | 54% | 0.535 | 50% | 0.495 | S | S | . | . | H | α-helix | trans | -63.5 | -39.7 | 175.5 | -73.2 | 167.4 | -168.1 | 148.2 | 0 | 112.5 | D340 V341 E342 E347 A348 | D340-K344 VanDerWaalsContact O-CD 3.29Å; D340-K344 WeakPolarHBondContact O-CD 3.49Å; D340-K344 WeakPolarHBondContact O-CE 3.44Å; D340-K344 VanDerWaalsContact O-CG 3.24Å; D340-K344 WeakPolarHBondContact O-CG 3.4Å; D340-K344 IonicContact OD2-NZ 3.35Å; D340-K344 PolarHBondContact OD2-NZ 3.04Å; V341-K344 PolarHBondContact O-N 3.24Å; E342-K344 PolarHBondContact O-N 3.11Å; K344-E347 PolarHBondContact O-N 3.46Å; K344-A348 VanDerWaalsContact O-CB 3.31Å; K344-A348 WeakPolarHBondContact O-CB 3.35Å; K344-A348 PolarHBondContact O-N 2.97Å |
| 345 | L | 89.9 | Confident | 90.5 | Very high | 87 Ų | 87 | 96.1 Ų | 96.1 | 46% | 0.455 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -64.7 | -44.2 | 176.6 | -70.9 | 172.6 | 0 | 0 | 0 | 110.5 | I337 V341 E342 D343 E347 A348 D349 | I337-L345 HydrophobicContact CD1-CD1 4.45Å; I337-L345 HydrophobicContact CG2-CD1 4.41Å; V341-L345 HydrophobicContact CG1-CD1 4.11Å; V341-L345 HydrophobicContact CG1-CG 4.35Å; V341-L345 VanDerWaalsContact O-CG 3.32Å; V341-L345 WeakPolarHBondContact O-CG 3.49Å; V341-L345 PolarHBondContact O-N 3.05Å; E342-L345 PolarHBondContact O-N 3.26Å; D343-L345 PolarHBondContact O-N 3.39Å; L345-E347 PolarHBondContact O-N 3.03Å; L345-A348 PolarHBondContact O-N 3.41Å; L345-D349 WeakPolarHBondContact O-CB 3.49Å; L345-D349 PolarHBondContact O-N 3.35Å |
| 346 | R | 90.8 | Very high | 90.6 | Very high | 143 Ų | 143 | 95.2 Ų | 95.2 | 54% | 0.54 | 48% | 0.482 | S | S | . | . | H | α-helix | trans | -61.6 | -43 | 175.6 | -71.9 | 173.1 | 179.1 | 177 | 1.2 | 112.6 | E342 D343 A350 | E342-R346 WeakPolarHBondContact O-CG 3.08Å; E342-R346 PolarHBondContact O-N 3.13Å; E342-R346 IonicContact OE1-CZ 3.96Å; E342-R346 IonicContact OE1-NE 3.67Å; E342-R346 IonicContact OE1-NH2 3.38Å; E342-R346 PolarHBondContact OE1-NH2 3.13Å; D343-R346 PolarHBondContact O-N 3.44Å; R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 2.85Å |
| 347 | E | 92.6 | Very high | 90.9 | Very high | 141 Ų | 141 | 92.9 Ų | 92.9 | 66% | 0.659 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -64 | -42.3 | 175.7 | -74.9 | -179.6 | 179.1 | 0 | 0 | 111.9 | D343 K344 L345 A350 K351 | D343-E347 WeakPolarHBondContact O-CG 3.45Å; D343-E347 PolarHBondContact O-N 3.35Å; K344-E347 PolarHBondContact O-N 3.46Å; L345-E347 PolarHBondContact O-N 3.03Å; E347-A350 PolarHBondContact O-N 3.5Å; E347-K351 WeakPolarHBondContact O-CB 3.09Å; E347-K351 PolarHBondContact O-N 3.34Å |
| 348 | A | 90.6 | Very high | 91.3 | Very high | 55 Ų | 55 | 94.2 Ų | 94.2 | 46% | 0.455 | 47% | 0.471 | S | S | . | . | H | α-helix | trans | -63.8 | -45.7 | 176.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | K344 L345 A350 K351 E352 | K344-A348 VanDerWaalsContact O-CB 3.31Å; K344-A348 WeakPolarHBondContact O-CB 3.35Å; K344-A348 PolarHBondContact O-N 2.97Å; L345-A348 PolarHBondContact O-N 3.41Å; A348-A350 PolarHBondContact O-N 3.45Å; A348-K351 PolarHBondContact O-N 2.91Å; A348-E352 WeakPolarHBondContact O-CB 3.4Å; A348-E352 PolarHBondContact O-N 3.04Å |
| 349 | D | 90.3 | Very high | 91.3 | Very high | 79 Ų | 79 | 93.4 Ų | 93.4 | 42% | 0.422 | 46% | 0.46 | S | S | . | . | H | α-helix | trans | -61.8 | -43.4 | 176.8 | -76.2 | -18.3 | 0 | 0 | 0 | 111.5 | L345 K351 E352 Q353 | L345-D349 WeakPolarHBondContact O-CB 3.49Å; L345-D349 PolarHBondContact O-N 3.35Å; D349-K351 VanDerWaalsContact C-N 3.34Å; D349-K351 PolarHBondContact O-N 3.18Å; D349-E352 PolarHBondContact O-N 3.42Å; D349-Q353 VanDerWaalsContact O-CG 3.32Å; D349-Q353 WeakPolarHBondContact O-CG 3.33Å; D349-Q353 PolarHBondContact O-N 3.46Å |
| 350 | A | 92.3 | Very high | 91.3 | Very high | 56 Ų | 56 | 90.5 Ų | 90.5 | 46% | 0.463 | 45% | 0.447 | S | S | . | . | H | α-helix | trans | -64.4 | -39.9 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | R346 E347 A348 Q353 Q354 | R346-A350 WeakPolarHBondContact O-CB 3.38Å; R346-A350 PolarHBondContact O-N 2.85Å; E347-A350 PolarHBondContact O-N 3.5Å; A348-A350 PolarHBondContact O-N 3.45Å; A350-Q353 PolarHBondContact O-N 3.09Å; A350-Q354 PolarHBondContact O-N 3.38Å; A350-Q354 VanDerWaalsContact O-N 3.09Å |
| 351 | K | 93 | Very high | 91.3 | Very high | 126 Ų | 126 | 91.4 Ų | 91.4 | 55% | 0.548 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -66.5 | -45.2 | 176.7 | -174.8 | -177.8 | 173.8 | -157.9 | 0 | 111.6 | E347 A348 D349 Q353 Q354 E355 | E347-K351 WeakPolarHBondContact O-CB 3.09Å; E347-K351 PolarHBondContact O-N 3.34Å; A348-K351 PolarHBondContact O-N 2.91Å; D349-K351 VanDerWaalsContact C-N 3.34Å; D349-K351 PolarHBondContact O-N 3.18Å; K351-Q353 VanDerWaalsContact C-N 3.32Å; K351-Q353 PolarHBondContact O-N 3.11Å; K351-Q354 PolarHBondContact O-N 3.41Å; K351-E355 WeakPolarHBondContact CE-OE1 3.45Å; K351-E355 IonicContact NZ-OE1 3.09Å; K351-E355 WeakPolarHBondContact O-CG 3.35Å; K351-E355 PolarHBondContact O-N 3.42Å |
| 352 | E | 91.4 | Very high | 91.4 | Very high | 51 Ų | 51 | 95.2 Ų | 95.2 | 24% | 0.238 | 46% | 0.456 | C | S | . | . | H | α-helix | trans | -58.4 | -45 | 175.7 | -174.8 | -170.3 | -172.7 | 0 | 0 | 110.9 | K315 A348 D349 Q354 E355 L356 | K315-E352 VanDerWaalsContact CE-CD 3.48Å; K315-E352 WeakPolarHBondContact CE-OE1 3.5Å; K315-E352 WeakPolarHBondContact CE-OE2 3.46Å; K315-E352 VanDerWaalsContact NZ-CD 3.32Å; K315-E352 IonicContact NZ-OE1 2.73Å; K315-E352 PolarHBondContact NZ-OE1 3.08Å; K315-E352 IonicContact NZ-OE2 3.31Å; K315-E352 PolarHBondContact NZ-OE2 3.16Å; A348-E352 WeakPolarHBondContact O-CB 3.4Å; A348-E352 PolarHBondContact O-N 3.04Å; D349-E352 PolarHBondContact O-N 3.42Å; E352-Q354 VanDerWaalsContact C-N 3.31Å; E352-Q354 PolarHBondContact O-N 3.41Å; E352-E355 PolarHBondContact O-N 2.92Å; E352-L356 HydrophobicContact CG-CD1 4.12Å; E352-L356 VanDerWaalsContact O-CG 3.28Å; E352-L356 WeakPolarHBondContact O-CG 3.45Å; E352-L356 PolarHBondContact O-N 3.09Å |
| 353 | Q | 89.8 | Confident | 91.4 | Very high | 121 Ų | 121 | 95.9 Ų | 95.9 | 57% | 0.565 | 46% | 0.456 | S | S | * | . | H | α-helix | trans | -60.4 | -40 | 176.4 | -74.7 | 179 | 8.8 | 0 | 0 | 112.7 | D349 A350 K351 Q357 | D349-Q353 VanDerWaalsContact O-CG 3.32Å; D349-Q353 WeakPolarHBondContact O-CG 3.33Å; D349-Q353 PolarHBondContact O-N 3.46Å; A350-Q353 PolarHBondContact O-N 3.09Å; K351-Q353 VanDerWaalsContact C-N 3.32Å; K351-Q353 PolarHBondContact O-N 3.11Å; Q353-Q357 WeakPolarHBondContact O-CG 3.43Å; Q353-Q357 PolarHBondContact O-N 3.02Å; Q353-Q357 VanDerWaalsContact O-N 3.1Å |
| 354 | Q | 92.4 | Very high | 91.3 | Very high | 110 Ų | 110 | 99.7 Ų | 99.7 | 51% | 0.514 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -65.4 | -45.2 | 176 | -172.8 | -175.9 | -18.9 | 0 | 0 | 111.4 | A350 K351 E352 L356 Q357 E358 | A350-Q354 PolarHBondContact O-N 3.38Å; A350-Q354 VanDerWaalsContact O-N 3.09Å; K351-Q354 PolarHBondContact O-N 3.41Å; E352-Q354 VanDerWaalsContact C-N 3.31Å; E352-Q354 PolarHBondContact O-N 3.41Å; Q354-L356 VanDerWaalsContact C-N 3.31Å; Q354-L356 PolarHBondContact O-N 3.49Å; Q354-Q357 PolarHBondContact O-N 3.45Å; Q354-E358 PolarHBondContact NE2-OE1 3.5Å; Q354-E358 WeakPolarHBondContact O-CG 3.29Å; Q354-E358 PolarHBondContact O-N 3.19Å |
| 355 | E | 92.9 | Very high | 91.2 | Very high | 100 Ų | 100 | 100.9 Ų | 100.9 | 47% | 0.467 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -61.1 | -40.4 | 178.2 | -72.3 | 177.1 | 173.7 | 0 | 0 | 111.6 | K351 E352 E358 E359 | K351-E355 WeakPolarHBondContact CE-OE1 3.45Å; K351-E355 IonicContact NZ-OE1 3.09Å; K351-E355 WeakPolarHBondContact O-CG 3.35Å; K351-E355 PolarHBondContact O-N 3.42Å; E352-E355 PolarHBondContact O-N 2.92Å; E355-E358 PolarHBondContact O-N 3.45Å; E355-E359 WeakPolarHBondContact O-CB 3.31Å; E355-E359 PolarHBondContact O-N 3.32Å |
| 356 | L | 91.8 | Very high | 91.1 | Very high | 24 Ų | 24 | 101 Ų | 101 | 13% | 0.126 | 46% | 0.463 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 176 | -70.2 | 170.1 | 0 | 0 | 0 | 112.5 | V307 A311 E352 Q354 E359 E360 | V307-L356 HydrophobicContact CB-CD2 4.18Å; V307-L356 HydrophobicContact CG2-CD2 4.39Å; A311-L356 HydrophobicContact CB-CD1 4.06Å; A311-L356 HydrophobicContact CB-CD2 3.94Å; E352-L356 HydrophobicContact CG-CD1 4.12Å; E352-L356 VanDerWaalsContact O-CG 3.28Å; E352-L356 WeakPolarHBondContact O-CG 3.45Å; E352-L356 PolarHBondContact O-N 3.09Å; Q354-L356 VanDerWaalsContact C-N 3.31Å; Q354-L356 PolarHBondContact O-N 3.49Å; L356-E359 PolarHBondContact O-N 3.27Å; L356-E360 WeakPolarHBondContact O-CB 3.25Å; L356-E360 PolarHBondContact O-N 3.46Å |
| 357 | Q | 91.3 | Very high | 91 | Very high | 112 Ų | 112 | 100.1 Ų | 100.1 | 52% | 0.523 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -64.4 | -43.3 | 175.9 | -73.9 | 174 | 6.7 | 0 | 0 | 111.8 | Q353 Q354 E359 E360 E361 | Q353-Q357 WeakPolarHBondContact O-CG 3.43Å; Q353-Q357 PolarHBondContact O-N 3.02Å; Q353-Q357 VanDerWaalsContact O-N 3.1Å; Q354-Q357 PolarHBondContact O-N 3.45Å; Q357-E359 VanDerWaalsContact C-N 3.32Å; Q357-E359 PolarHBondContact O-N 3.32Å; Q357-E360 PolarHBondContact O-N 3.08Å; Q357-E361 PolarHBondContact O-N 3.49Å |
| 358 | E | 92.8 | Very high | 90.7 | Very high | 112 Ų | 112 | 97.8 Ų | 97.8 | 52% | 0.523 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -63.4 | -39 | 176.9 | -72.4 | 177.9 | -168.1 | 0 | 0 | 111.6 | Q354 E355 R362 | Q354-E358 PolarHBondContact NE2-OE1 3.5Å; Q354-E358 WeakPolarHBondContact O-CG 3.29Å; Q354-E358 PolarHBondContact O-N 3.19Å; E355-E358 PolarHBondContact O-N 3.45Å; E358-R362 WeakPolarHBondContact O-CB 3.35Å; E358-R362 PolarHBondContact O-N 3.37Å |
| 359 | E | 91.9 | Very high | 90.6 | Very high | 57 Ų | 57 | 101.8 Ų | 101.8 | 27% | 0.266 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -68.2 | -43.1 | 175.9 | -171.6 | 174.1 | 174.9 | 0 | 0 | 112.5 | V307 E355 L356 Q357 R362 R363 | V307-E359 HydrophobicContact CG1-CB 4.4Å; V307-E359 HydrophobicContact CG1-CG 3.82Å; E355-E359 WeakPolarHBondContact O-CB 3.31Å; E355-E359 PolarHBondContact O-N 3.32Å; L356-E359 PolarHBondContact O-N 3.27Å; Q357-E359 VanDerWaalsContact C-N 3.32Å; Q357-E359 PolarHBondContact O-N 3.32Å; E359-R362 PolarHBondContact O-N 2.93Å; E359-R362 IonicContact OE1-NH2 2.68Å; E359-R363 WeakPolarHBondContact O-CG 3.11Å; E359-R363 PolarHBondContact O-N 3.16Å; E359-R363 IonicContact OE1-CZ 2.75Å; E359-R363 VanDerWaalsContact OE1-CZ 3.31Å; E359-R363 IonicContact OE1-NE 3.2Å; E359-R363 PolarHBondContact OE1-NE 3.35Å; E359-R363 VanDerWaalsContact OE1-NE 3.12Å; E359-R363 IonicContact OE1-NH2 2.78Å; E359-R363 PolarHBondContact OE1-NH2 3.24Å |
| 360 | E | 90.7 | Very high | 90.1 | Very high | 100 Ų | 100 | 105.6 Ų | 105.6 | 47% | 0.467 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -59.4 | -47.4 | 175.9 | -172.1 | -175.8 | -172.5 | 0 | 0 | 111 | V307 H308 L356 Q357 R362 R363 R364 | V307-E360 HydrophobicContact CG2-CB 4.08Å; H308-E360 IonicContact CE1-OE2 3.16Å; H308-E360 PolarHBondContact CE1-OE2 3.47Å; L356-E360 WeakPolarHBondContact O-CB 3.25Å; L356-E360 PolarHBondContact O-N 3.46Å; Q357-E360 PolarHBondContact O-N 3.08Å; E360-R362 VanDerWaalsContact C-N 3.31Å; E360-R362 PolarHBondContact O-N 2.97Å; E360-R363 PolarHBondContact O-N 3.05Å; E360-R364 WeakPolarHBondContact O-CB 3.47Å; E360-R364 PolarHBondContact O-N 2.83Å |
| 361 | E | 91.1 | Very high | 89.3 | Confident | 109 Ų | 109 | 111.2 Ų | 111.2 | 51% | 0.509 | 50% | 0.496 | S | S | . | . | H | α-helix | trans | -60.3 | -40.9 | 175.5 | -78.4 | -164.3 | -170.5 | 0 | 0 | 112.2 | Q357 R364 R365 | Q357-E361 PolarHBondContact O-N 3.49Å; E361-R364 PolarHBondContact O-N 3.28Å; E361-R365 VanDerWaalsContact O-CG 3.3Å; E361-R365 WeakPolarHBondContact O-CG 3.37Å; E361-R365 PolarHBondContact O-N 3.06Å; E361-R365 IonicContact OE2-CZ 2.67Å; E361-R365 IonicContact OE2-NH2 2.88Å; E361-R365 PolarHBondContact OE2-NH2 3.45Å |
| 362 | R | 91.2 | Very high | 87.8 | Confident | 135 Ų | 135 | 115.8 Ų | 115.8 | 51% | 0.509 | 52% | 0.515 | S | S | . | . | H | α-helix | trans | -62.7 | -49.9 | 178.1 | -175.4 | -178.2 | 68.7 | -154.8 | -2.9 | 111 | E358 E359 E360 R364 R365 E366 | E358-R362 WeakPolarHBondContact O-CB 3.35Å; E358-R362 PolarHBondContact O-N 3.37Å; E359-R362 PolarHBondContact O-N 2.93Å; E359-R362 IonicContact OE1-NH2 2.68Å; E360-R362 VanDerWaalsContact C-N 3.31Å; E360-R362 PolarHBondContact O-N 2.97Å; R362-R364 VanDerWaalsContact C-N 3.31Å; R362-R364 PolarHBondContact O-N 2.74Å; R362-R365 PolarHBondContact O-N 3.48Å; R362-E366 IonicContact NE-OE1 3.51Å; R362-E366 WeakPolarHBondContact O-CG 3.29Å; R362-E366 PolarHBondContact O-N 3.44Å |
| 363 | R | 88.8 | Confident | 87.7 | Confident | 89 Ų | 89 | 119 Ų | 119 | 34% | 0.336 | 53% | 0.529 | S | S | . | . | H | α-helix | trans | -59.8 | -43 | 178.9 | -72.1 | -176.1 | -175.8 | -153.8 | 1.3 | 111.4 | K305 V307 E359 E360 R365 E366 E367 | K305-R363 PolarHBondContact O-NH1 2.87Å; V307-R363 VanDerWaalsContact CG1-CZ 3.47Å; E359-R363 WeakPolarHBondContact O-CG 3.11Å; E359-R363 PolarHBondContact O-N 3.16Å; E359-R363 IonicContact OE1-CZ 2.75Å; E359-R363 VanDerWaalsContact OE1-CZ 3.31Å; E359-R363 IonicContact OE1-NE 3.2Å; E359-R363 PolarHBondContact OE1-NE 3.35Å; E359-R363 VanDerWaalsContact OE1-NE 3.12Å; E359-R363 IonicContact OE1-NH2 2.78Å; E359-R363 PolarHBondContact OE1-NH2 3.24Å; E360-R363 PolarHBondContact O-N 3.05Å; R363-R365 VanDerWaalsContact C-N 3.33Å; R363-R365 PolarHBondContact O-N 3.38Å; R363-E366 PolarHBondContact O-N 2.94Å; R363-E367 WeakPolarHBondContact O-CG 3.46Å; R363-E367 PolarHBondContact O-N 3.05Å |
| 364 | R | 88.6 | Confident | 87.5 | Confident | 164 Ų | 164 | 118.9 Ų | 118.9 | 62% | 0.619 | 53% | 0.527 | S | S | * | . | H | α-helix | trans | -59.6 | -41.8 | 176.3 | -175.1 | 178.5 | 174.2 | 166.4 | 6.6 | 112.5 | E360 E361 R362 E367 E368 | E360-R364 WeakPolarHBondContact O-CB 3.47Å; E360-R364 PolarHBondContact O-N 2.83Å; E361-R364 PolarHBondContact O-N 3.28Å; R362-R364 VanDerWaalsContact C-N 3.31Å; R362-R364 PolarHBondContact O-N 2.74Å; R364-E367 PolarHBondContact O-N 3.21Å; R364-E368 IonicContact NE-OE1 2.71Å; R364-E368 PolarHBondContact NE-OE1 2.74Å; R364-E368 WeakPolarHBondContact O-CG 3.49Å; R364-E368 PolarHBondContact O-N 3.49Å |
| 365 | R | 90.4 | Very high | 87.3 | Confident | 147 Ų | 147 | 119.4 Ų | 119.4 | 56% | 0.555 | 53% | 0.528 | S | S | * | . | H | α-helix | trans | -65.3 | -41.1 | 175.9 | -69.6 | 173.1 | -163.8 | -177.5 | 10.3 | 111.9 | E361 R362 R363 E368 E369 | E361-R365 VanDerWaalsContact O-CG 3.3Å; E361-R365 WeakPolarHBondContact O-CG 3.37Å; E361-R365 PolarHBondContact O-N 3.06Å; E361-R365 IonicContact OE2-CZ 2.67Å; E361-R365 IonicContact OE2-NH2 2.88Å; E361-R365 PolarHBondContact OE2-NH2 3.45Å; R362-R365 PolarHBondContact O-N 3.48Å; R363-R365 VanDerWaalsContact C-N 3.33Å; R363-R365 PolarHBondContact O-N 3.38Å; R365-E368 PolarHBondContact O-N 3.07Å; R365-E369 WeakPolarHBondContact O-CG 3.37Å; R365-E369 PolarHBondContact O-N 3.37Å |
| 366 | E | 89.6 | Confident | 86.9 | Confident | 91 Ų | 91 | 120.5 Ų | 120.5 | 43% | 0.425 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -63.6 | -39.4 | 177.3 | -70.7 | 172 | -173.5 | 0 | 0 | 112 | R362 R363 E369 Q370 | R362-E366 IonicContact NE-OE1 3.51Å; R362-E366 WeakPolarHBondContact O-CG 3.29Å; R362-E366 PolarHBondContact O-N 3.44Å; R363-E366 PolarHBondContact O-N 2.94Å; E366-E369 PolarHBondContact O-N 3.06Å; E366-Q370 WeakPolarHBondContact O-CG 3.37Å; E366-Q370 PolarHBondContact O-N 3.44Å; E366-Q370 VanDerWaalsContact O-N 3.11Å |
| 367 | E | 86.9 | Confident | 86.6 | Confident | 124 Ų | 124 | 126.6 Ų | 126.6 | 58% | 0.579 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -64.9 | -45.7 | 174.2 | -71.4 | 176.1 | 173.3 | 0 | 0 | 111.6 | R363 R364 E369 Q370 E371 | R363-E367 WeakPolarHBondContact O-CG 3.46Å; R363-E367 PolarHBondContact O-N 3.05Å; R364-E367 PolarHBondContact O-N 3.21Å; E367-E369 PolarHBondContact O-N 3.01Å; E367-Q370 PolarHBondContact O-N 2.75Å; E367-Q370 VanDerWaalsContact O-N 3.12Å; E367-E371 PolarHBondContact O-N 2.87Å; E367-E371 VanDerWaalsContact O-N 3.13Å |
| 368 | E | 88.3 | Confident | 86.3 | Confident | 91 Ų | 91 | 127.5 Ų | 127.5 | 43% | 0.425 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -63.7 | -25.1 | 176.6 | -73.6 | 178.5 | -167.5 | 0 | 0 | 113.5 | R364 R365 | R364-E368 IonicContact NE-OE1 2.71Å; R364-E368 PolarHBondContact NE-OE1 2.74Å; R364-E368 WeakPolarHBondContact O-CG 3.49Å; R364-E368 PolarHBondContact O-N 3.49Å; R365-E368 PolarHBondContact O-N 3.07Å |
| 369 | E | 86.8 | Confident | 85.9 | Confident | 140 Ų | 140 | 128.6 Ų | 128.6 | 65% | 0.654 | 56% | 0.562 | S | S | * | * | H | α-helix | trans | -81 | -30.6 | 174 | -75.9 | -179.1 | -177.9 | 0 | 0 | 112.7 | R365 E366 E367 | R365-E369 WeakPolarHBondContact O-CG 3.37Å; R365-E369 PolarHBondContact O-N 3.37Å; E366-E369 PolarHBondContact O-N 3.06Å; E367-E369 PolarHBondContact O-N 3.01Å |
| 370 | Q | 79.8 | Confident | 85.4 | Confident | 158 Ų | 158 | 134.2 Ų | 134.2 | 74% | 0.738 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -77.9 | -23.3 | 176.8 | -72.1 | 176.3 | 25.1 | 0 | 0 | 113.4 | E366 E367 | E366-Q370 WeakPolarHBondContact O-CG 3.37Å; E366-Q370 PolarHBondContact O-N 3.44Å; E366-Q370 VanDerWaalsContact O-N 3.11Å; E367-Q370 PolarHBondContact O-N 2.75Å; E367-Q370 VanDerWaalsContact O-N 3.12Å |
| 371 | E | 75.9 | Confident | 85 | Confident | 175 Ų | 175 | 137 Ų | 137 | 82% | 0.818 | 59% | 0.594 | S | S | * | * | trans | -83.4 | -7.8 | 176.8 | -70.7 | -171.8 | 164.3 | 0 | 0 | 114.3 | E367 | E367-E371 PolarHBondContact O-N 2.87Å; E367-E371 VanDerWaalsContact O-N 3.13Å | ||
| 372 | K | 62.5 | Low | 84.4 | Confident | 221 Ų | 221 | 139.5 Ų | 139.5 | 96% | 0.961 | 60% | 0.602 | S | S | * | * | trans | -96.9 | 0 | 176.3 | -73 | 173.6 | -173.2 | 157.1 | 0 | 112 |
Retrieved 372 of 372 residues in 244.5 ms
(Link to these results)