| 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 | 36.5 | Very low | 31.8 | Very low | 247 Ų | 247 | 132.7 Ų | 132.7 | 100% | 1.217 | 85% | 0.849 | S | S | * | * | 0 | 103.3 | 0 | -74 | -179.8 | 173.2 | 0 | 0 | 107.5 | S3 | M1-S3 PolarHBondContact O-N 3.39Š| |||
| 2 | A | 34.2 | Very low | 31.2 | Very low | 116 Ų | 116 | 128.5 Ų | 128.5 | 96% | 0.959 | 85% | 0.849 | S | S | * | * | trans | -77.2 | 113.8 | 176.9 | 0 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 3 | S | 35.8 | Very low | 31.2 | Very low | 106 Ų | 106 | 133.3 Ų | 133.3 | 74% | 0.741 | 85% | 0.852 | S | S | * | * | trans | -108.4 | 120.3 | 177.7 | -178 | 0 | 0 | 0 | 0 | 110 | M1 | M1-S3 PolarHBondContact O-N 3.39Š| ||
| 4 | S | 34.1 | Very low | 31.4 | Very low | 103 Ų | 103 | 131.7 Ų | 131.7 | 72% | 0.72 | 86% | 0.857 | S | S | * | * | trans | 53.3 | 97.5 | 148.4 | 63.3 | 0 | 0 | 0 | 0 | 118.1 | G6 | S4-G6 PolarHBondContact O-N 3.15Š| ||
| 5 | A | 35.2 | Very low | 31.9 | Very low | 105 Ų | 105 | 125.9 Ų | 125.9 | 87% | 0.868 | 83% | 0.831 | S | S | * | * | trans | -49.8 | 119.5 | 145.1 | 0 | 0 | 0 | 0 | 0 | 110.1 | ||||
| 6 | G | 30.7 | Very low | 32.5 | Very low | 69 Ų | 69 | 124 Ų | 124 | 71% | 0.711 | 81% | 0.811 | S | S | * | * | trans | -119.4 | 93.1 | 162.9 | 0 | 0 | 0 | 0 | 0 | 107.1 | S4 P8 | S4-G6 PolarHBondContact O-N 3.15Å; G6-P8 VanDerWaalsContact O-CD 3.3Å; G6-P8 WeakPolarHBondContact O-CD 3.42Å | ||
| 7 | D | 28.9 | Very low | 33.1 | Very low | 146 Ų | 146 | 119.8 Ų | 119.8 | 78% | 0.781 | 79% | 0.794 | S | S | * | * | trans | -83.9 | 115.7 | 162.8 | -88 | -26.8 | 0 | 0 | 0 | 108.1 | ||||
| 8 | P | 29.2 | Very low | 33.9 | Very low | 126 Ų | 126 | 124.8 Ų | 124.8 | 82% | 0.818 | 79% | 0.794 | S | S | * | * | trans | -96.4 | 82 | 154.8 | 29.5 | -14.4 | 0 | 0 | 0 | 107.4 | G6 | G6-P8 VanDerWaalsContact O-CD 3.3Å; G6-P8 WeakPolarHBondContact O-CD 3.42Å | ||
| 9 | L | 26.5 | Very low | 34.7 | Very low | 145 Ų | 145 | 127.6 Ų | 127.6 | 76% | 0.759 | 79% | 0.788 | S | S | * | * | trans | -70.4 | 142.4 | 150 | -79.9 | 167.8 | 0 | 0 | 0 | 107.4 | ||||
| 10 | L | 29.5 | Very low | 35.7 | Very low | 176 Ų | 176 | 132.7 Ų | 132.7 | 92% | 0.921 | 79% | 0.792 | S | S | * | * | trans | 96.6 | 68.9 | 170.9 | -48.7 | 171.4 | 0 | 0 | 0 | 116.5 | ||||
| 11 | S | 29.5 | Very low | 36.9 | Very low | 121 Ų | 121 | 135.1 Ų | 135.1 | 85% | 0.846 | 79% | 0.792 | S | S | * | * | trans | -107.1 | 122.9 | 139.5 | 56.1 | 0 | 0 | 0 | 0 | 108.6 | E13 | S11-E13 PolarHBondContact O-N 3.32Š| ||
| 12 | G | 25.2 | Very low | 38.3 | Very low | 82 Ų | 82 | 126.7 Ų | 126.7 | 85% | 0.845 | 76% | 0.755 | S | S | * | * | trans | -72.9 | 119.1 | -168.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 13 | E | 31.2 | Very low | 40.4 | Very low | 191 Ų | 191 | 124 Ų | 124 | 89% | 0.893 | 73% | 0.728 | S | S | * | * | trans | -96.1 | 107.3 | 145.5 | -76.2 | -162.9 | 152.3 | 0 | 0 | 107.7 | S11 G15 | S11-E13 PolarHBondContact O-N 3.32Å; E13-G15 PolarHBondContact O-N 2.86Å | ||
| 14 | A | 33 | Very low | 42.5 | Very low | 111 Ų | 111 | 123.3 Ų | 123.3 | 92% | 0.917 | 72% | 0.723 | S | S | * | * | trans | -64.1 | 68.3 | 160.9 | 0 | 0 | 0 | 0 | 0 | 109.1 | D16 | A14-D16 PolarHBondContact O-N 3.18Š| ||
| 15 | G | 38.7 | Very low | 44.8 | Very low | 45 Ų | 45 | 120 Ų | 120 | 46% | 0.464 | 70% | 0.698 | S | S | . | * | trans | -80.2 | 97.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 108.8 | E13 G17 | E13-G15 PolarHBondContact O-N 2.86Å; G15-G17 PolarHBondContact O-N 3.04Å; G15-G17 VanDerWaalsContact O-N 3.15Å | ||
| 16 | D | 42.4 | Very low | 47.2 | Very low | 95 Ų | 95 | 116.7 Ų | 116.7 | 51% | 0.508 | 67% | 0.665 | S | S | . | * | trans | -14.8 | 109 | 162.7 | 177.5 | 18.1 | 0 | 0 | 0 | 112.8 | A14 R18 R19 | A14-D16 PolarHBondContact O-N 3.18Å; D16-R18 PolarHBondContact O-N 3.5Å; D16-R19 HydrophobicContact CB-CG 4.39Å; D16-R19 WeakPolarHBondContact O-CB 3.32Å; D16-R19 WeakPolarHBondContact O-CG 3.35Å; D16-R19 PolarHBondContact O-N 3.33Å | ||
| 17 | G | 42.7 | Very low | 49.8 | Very low | 52 Ų | 52 | 120.4 Ų | 120.4 | 54% | 0.536 | 66% | 0.658 | S | S | . | * | G | 310 helix | trans | -57.6 | -15.1 | -170.9 | 0 | 0 | 0 | 0 | 0 | 114.6 | G15 R19 | G15-G17 PolarHBondContact O-N 3.04Å; G15-G17 VanDerWaalsContact O-N 3.15Å; G17-R19 PolarHBondContact O-N 2.55Å |
| 18 | R | 46.6 | Very low | 52.4 | Low | 210 Ų | 210 | 117.1 Ų | 117.1 | 79% | 0.792 | 64% | 0.64 | S | S | * | * | G | 310 helix | trans | -65.6 | -21.3 | 170.3 | -76.2 | -178.9 | 170 | -176.9 | -2.2 | 113.5 | D16 R20 | D16-R18 PolarHBondContact O-N 3.5Å; R18-R20 PolarHBondContact O-N 3.44Å |
| 19 | R | 50.4 | Low | 55 | Low | 179 Ų | 179 | 116.5 Ų | 116.5 | 68% | 0.675 | 63% | 0.625 | S | S | * | * | G | 310 helix | trans | -76.6 | -14.3 | -176.9 | -65.4 | -176.7 | 178.1 | -167.1 | -0.4 | 114.7 | D16 G17 | D16-R19 HydrophobicContact CB-CG 4.39Å; D16-R19 WeakPolarHBondContact O-CB 3.32Å; D16-R19 WeakPolarHBondContact O-CG 3.35Å; D16-R19 PolarHBondContact O-N 3.33Å; G17-R19 PolarHBondContact O-N 2.55Å |
| 20 | R | 54.1 | Low | 57.7 | Low | 229 Ų | 229 | 111.4 Ų | 111.4 | 86% | 0.864 | 60% | 0.599 | S | S | * | * | G | 310 helix | trans | -81.2 | -20.1 | -179.7 | -78.6 | -172.9 | -170 | 168.5 | 4.2 | 114.7 | R18 | R18-R20 PolarHBondContact O-N 3.44Š|
| 21 | F | 60.8 | Low | 60.5 | Low | 183 Ų | 183 | 105.5 Ų | 105.5 | 80% | 0.803 | 57% | 0.573 | S | S | * | * | S | Bend | trans | -88.1 | -17.6 | -172.9 | -74 | -80 | 0 | 0 | 0 | 114.8 | P23 | F21-P23 WeakPolarHBondContact O-CD 3.4Š|
| 22 | V | 66.6 | Low | 63.5 | Low | 70 Ų | 70 | 102.8 Ų | 102.8 | 42% | 0.424 | 55% | 0.551 | S | S | . | * | S | Bend | trans | -92.9 | 117.6 | -176 | -177.3 | 0 | 0 | 0 | 0 | 109.5 | S24 I26 | V22-S24 PolarHBondContact O-N 2.82Å; V22-I26 HydrophobicContact CG1-CD1 3.83Å; V22-I26 HydrophobicContact CG1-CG1 3.55Å |
| 23 | P | 77.8 | Confident | 66.7 | Low | 61 Ų | 61 | 106.3 Ų | 106.3 | 40% | 0.396 | 54% | 0.539 | S | S | . | . | trans | -51.3 | 138.9 | 174.6 | -26.8 | 34.5 | 0 | 0 | 0 | 111.3 | F21 T25 I26 R27 L77 | F21-P23 WeakPolarHBondContact O-CD 3.4Å; P23-T25 PolarHBondContact O-N 2.64Å; P23-I26 HydrophobicContact CB-CG1 4.33Å; P23-I26 WeakPolarHBondContact O-CG1 3.25Å; P23-I26 PolarHBondContact O-N 3.1Å; P23-R27 PolarHBondContact O-N 3.47Å; P23-L77 HydrophobicContact CG-CD2 4.16Å | ||
| 24 | S | 80.7 | Confident | 69.5 | Low | 91 Ų | 91 | 98.1 Ų | 98.1 | 64% | 0.636 | 50% | 0.503 | S | S | * | . | G | 310 helix | trans | -58 | -23.2 | 179.7 | 55.3 | 0 | 0 | 0 | 0 | 112.9 | V22 I26 R27 | V22-S24 PolarHBondContact O-N 2.82Å; S24-I26 VanDerWaalsContact C-N 3.33Å; S24-I26 PolarHBondContact O-N 3Å; S24-R27 WeakPolarHBondContact O-CB 3.45Å; S24-R27 PolarHBondContact O-N 3.42Å |
| 25 | T | 81.3 | Confident | 72.4 | Confident | 33 Ų | 33 | 92.9 Ų | 92.9 | 20% | 0.202 | 46% | 0.459 | C | S | . | . | G | 310 helix | trans | -66.6 | -29.1 | 178.1 | 51.1 | 0 | 0 | 0 | 0 | 113.7 | P23 L77 G80 G341 | P23-T25 PolarHBondContact O-N 2.64Å; T25-L77 WeakPolarHBondContact CB-O 3.41Å; T25-L77 WeakPolarHBondContact CG2-O 3.14Å; T25-L77 PolarHBondContact OG1-O 2.96Å; T25-G80 VanDerWaalsContact O-CA 3.31Å; T25-G80 WeakPolarHBondContact O-CA 3.49Å; T25-G341 PolarHBondContact O-N 3.27Å |
| 26 | I | 85.2 | Confident | 75 | Confident | 35 Ų | 35 | 93 Ų | 93 | 18% | 0.179 | 45% | 0.449 | C | S | . | . | G | 310 helix | trans | -109.7 | 10.4 | 178 | 64.4 | 168.2 | 0 | 0 | 0 | 112.7 | V22 P23 S24 L28 L77 A342 V345 | V22-I26 HydrophobicContact CG1-CD1 3.83Å; V22-I26 HydrophobicContact CG1-CG1 3.55Å; P23-I26 HydrophobicContact CB-CG1 4.33Å; P23-I26 WeakPolarHBondContact O-CG1 3.25Å; P23-I26 PolarHBondContact O-N 3.1Å; S24-I26 VanDerWaalsContact C-N 3.33Å; S24-I26 PolarHBondContact O-N 3Å; I26-L28 PolarHBondContact O-N 3.16Å; I26-L77 HydrophobicContact CD1-CD2 4.18Å; I26-L77 HydrophobicContact CG2-CD2 3.83Å; I26-A342 HydrophobicContact CB-CB 4.43Å; I26-V345 HydrophobicContact CG2-CG2 4.06Å |
| 27 | R | 85.4 | Confident | 77.4 | Confident | 148 Ų | 148 | 88.4 Ų | 88.4 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | trans | -70.4 | 117.9 | 175.1 | -175.1 | -178.9 | -63.6 | -173.2 | 0.2 | 109.5 | P23 S24 K29 T340 | P23-R27 PolarHBondContact O-N 3.47Å; S24-R27 WeakPolarHBondContact O-CB 3.45Å; S24-R27 PolarHBondContact O-N 3.42Å; R27-K29 PolarHBondContact O-N 3.05Å; R27-T340 WeakPolarHBondContact O-CG2 3.37Å | ||
| 28 | L | 84.4 | Confident | 79.9 | Confident | 76 Ų | 76 | 86 Ų | 86 | 40% | 0.398 | 40% | 0.399 | S | S | . | . | trans | -55.4 | 122.7 | -178.3 | -57.4 | 171.6 | 0 | 0 | 0 | 111.5 | I26 V32 E35 A342 F346 | I26-L28 PolarHBondContact O-N 3.16Å; L28-V32 HydrophobicContact CD1-CG2 3.54Å; L28-E35 HydrophobicContact CD2-CB 4.4Å; L28-E35 HydrophobicContact CD2-CG 3.74Å; L28-A342 HydrophobicContact CD2-CB 3.63Å; L28-F346 HydrophobicContact CD2-CE2 4.28Å; L28-F346 HydrophobicContact CD2-CZ 4.45Å | ||
| 29 | K | 82.5 | Confident | 82.2 | Confident | 114 Ų | 114 | 76.1 Ų | 76.1 | 50% | 0.496 | 36% | 0.363 | S | S | . | . | S | Bend | trans | -95.5 | -17.7 | 169 | -70.5 | -170.7 | -179.1 | -167.4 | 0 | 112.2 | R27 E295 T340 | R27-K29 PolarHBondContact O-N 3.05Å; K29-E295 IonicContact NZ-OE1 2.78Å; K29-E295 PolarHBondContact NZ-OE1 2.89Å; K29-T340 HydrophobicContact CB-CG2 3.87Å; K29-T340 HydrophobicContact CD-CG2 4.23Å; K29-T340 HydrophobicContact CG-CG2 3.73Å |
| 30 | T | 84.5 | Confident | 84.4 | Confident | 38 Ų | 38 | 68.1 Ų | 68.1 | 23% | 0.233 | 33% | 0.334 | C | S | . | . | S | Bend | trans | -126.5 | -175.8 | 178.2 | 58.1 | 0 | 0 | 0 | 0 | 110.2 | E35 R339 | T30-E35 PolarHBondContact OG1-OE1 3.35Å; T30-R339 HydrophobicContact CG2-CB 4.05Å; T30-R339 HydrophobicContact CG2-CG 3.59Å |
| 31 | S | 88.8 | Confident | 86.3 | Confident | 51 Ų | 51 | 57.2 Ų | 57.2 | 36% | 0.357 | 29% | 0.293 | S | S | . | . | trans | -66.6 | 152.4 | 175.2 | 66 | 0 | 0 | 0 | 0 | 110.9 | W33 S34 E35 | S31-W33 PolarHBondContact O-N 3.3Å; S31-S34 WeakPolarHBondContact O-CB 3.28Å; S31-S34 PolarHBondContact O-N 3.4Å; S31-S34 WeakPolarHBondContact OG-CB 3.47Å; S31-S34 PolarHBondContact OG-N 3.34Å; S31-S34 VanDerWaalsContact OG-N 3.16Å; S31-E35 PolarHBondContact O-N 3.09Å; S31-E35 VanDerWaalsContact O-N 3.11Å | ||
| 32 | V | 92.2 | Very high | 87.9 | Confident | 64 Ų | 64 | 48.5 Ų | 48.5 | 39% | 0.388 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -53.4 | -40.3 | 172.7 | 178.5 | 0 | 0 | 0 | 0 | 110.9 | L28 S34 E35 L36 F346 | L28-V32 HydrophobicContact CD1-CG2 3.54Å; V32-S34 VanDerWaalsContact C-N 3.3Å; V32-S34 PolarHBondContact O-N 3.07Å; V32-E35 PolarHBondContact O-N 3.23Å; V32-L36 HydrophobicContact CG1-CD1 3.93Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.45Å; V32-L36 WeakPolarHBondContact O-CG 3.39Å; V32-L36 PolarHBondContact O-N 3.46Å; V32-F346 HydrophobicContact CG1-CE2 4.26Å; V32-F346 HydrophobicContact CG1-CZ 4.17Å |
| 33 | W | 91.5 | Very high | 89.1 | Confident | 156 Ų | 156 | 45.8 Ų | 45.8 | 59% | 0.591 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -60.9 | -36.3 | 176.6 | -59.9 | 117.2 | 0 | 0 | 0 | 113.5 | S31 L36 G37 P221 L224 | S31-W33 PolarHBondContact O-N 3.3Å; W33-L36 HydrophobicContact CE3-CD1 4.07Å; W33-L36 HydrophobicContact CZ3-CD1 4.29Å; W33-G37 PolarHBondContact O-N 3.08Å; W33-P221 HydrophobicContact CB-CB 4.19Å; W33-P221 HydrophobicContact CB-CG 4.23Å; W33-P221 WeakPolarHBondContact O-CB 3.09Å; W33-L224 HydrophobicContact CE3-CD2 4.16Å; W33-L224 HydrophobicContact CZ3-CD2 4.42Å |
| 34 | S | 90 | Very high | 89.7 | Confident | 20 Ų | 20 | 43 Ų | 43 | 14% | 0.14 | 22% | 0.219 | C | C | . | . | H | α-helix | trans | -70.3 | -43 | 176.8 | -171.8 | 0 | 0 | 0 | 0 | 111.1 | S31 V32 L36 G37 G38 G337 | S31-S34 WeakPolarHBondContact O-CB 3.28Å; S31-S34 PolarHBondContact O-N 3.4Å; S31-S34 WeakPolarHBondContact OG-CB 3.47Å; S31-S34 PolarHBondContact OG-N 3.34Å; S31-S34 VanDerWaalsContact OG-N 3.16Å; V32-S34 VanDerWaalsContact C-N 3.3Å; V32-S34 PolarHBondContact O-N 3.07Å; S34-L36 PolarHBondContact O-N 3.21Å; S34-G37 PolarHBondContact O-N 2.57Å; S34-G38 PolarHBondContact O-N 3.36Å; S34-G337 CarbonylContact C-O 3.57Å; S34-G337 CarbonylContact O-C 3.16Å; S34-G337 WeakPolarHBondContact O-CA 3.38Å; S34-G337 VanDerWaalsContact OG-CA 3.23Å; S34-G337 WeakPolarHBondContact OG-CA 3.31Å; S34-G337 PolarHBondContact OG-O 2.87Å |
| 35 | E | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -66.9 | -35.3 | 175.3 | -62.6 | -74.3 | -170 | 0 | 0 | 112.1 | L28 T30 S31 V32 G38 A39 G338 R339 T340 A342 S343 F346 | L28-E35 HydrophobicContact CD2-CB 4.4Å; L28-E35 HydrophobicContact CD2-CG 3.74Å; T30-E35 PolarHBondContact OG1-OE1 3.35Å; S31-E35 PolarHBondContact O-N 3.09Å; S31-E35 VanDerWaalsContact O-N 3.11Å; V32-E35 PolarHBondContact O-N 3.23Å; E35-G38 PolarHBondContact O-N 3.36Å; E35-A39 WeakPolarHBondContact O-CB 3.14Å; E35-A39 PolarHBondContact O-N 2.88Å; E35-G338 WeakPolarHBondContact OE2-CA 3.4Å; E35-R339 PolarHBondContact OE2-N 3.03Å; E35-T340 VanDerWaalsContact CD-OG1 3.23Å; E35-T340 WeakPolarHBondContact OE1-CB 3.41Å; E35-T340 VanDerWaalsContact OE1-CG2 3.29Å; E35-T340 WeakPolarHBondContact OE1-CG2 3.34Å; E35-T340 PolarHBondContact OE1-N 2.87Å; E35-T340 PolarHBondContact OE1-OG1 3.13Å; E35-T340 PolarHBondContact OE2-N 3.04Å; E35-A342 HydrophobicContact CG-CB 4.49Å; E35-S343 WeakPolarHBondContact O-CA 3.14Å; E35-S343 WeakPolarHBondContact O-CB 3.19Å; E35-S343 PolarHBondContact O-OG 3.33Å; E35-S343 WeakPolarHBondContact OE2-CB 3.37Å; E35-F346 HydrophobicContact CB-CD2 4.09Å; E35-F346 HydrophobicContact CB-CE2 3.89Å |
| 36 | L | 95 | Very high | 90.9 | Very high | 47 Ų | 47 | 37.6 Ų | 37.6 | 25% | 0.246 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -68.5 | -38.3 | 171.9 | -73.4 | 171.4 | 0 | 0 | 0 | 112.4 | V32 W33 S34 G38 A39 V40 L224 F346 | V32-L36 HydrophobicContact CG1-CD1 3.93Å; V32-L36 HydrophobicContact CG1-CG 4.27Å; V32-L36 WeakPolarHBondContact O-CB 3.45Å; V32-L36 WeakPolarHBondContact O-CG 3.39Å; V32-L36 PolarHBondContact O-N 3.46Å; W33-L36 HydrophobicContact CE3-CD1 4.07Å; W33-L36 HydrophobicContact CZ3-CD1 4.29Å; S34-L36 PolarHBondContact O-N 3.21Å; L36-G38 VanDerWaalsContact C-N 3.32Å; L36-A39 WeakPolarHBondContact O-CB 3.07Å; L36-A39 PolarHBondContact O-N 3.08Å; L36-A39 VanDerWaalsContact O-N 3.15Å; L36-V40 PolarHBondContact O-N 3.37Å; L36-L224 HydrophobicContact CB-CD2 3.9Å; L36-L224 HydrophobicContact CD1-CD2 4.42Å; L36-F346 HydrophobicContact CD2-CB 3.74Å; L36-F346 HydrophobicContact CD2-CD1 4.49Å; L36-F346 HydrophobicContact CD2-CD2 3.92Å; L36-F346 HydrophobicContact CD2-CG 3.82Å; L36-F346 HydrophobicContact CG-CD2 4.18Å |
| 37 | G | 92.9 | Very high | 91.3 | Very high | 0 Ų | 0 | 36.2 Ų | 36.2 | 0% | 0 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -60.5 | -43.4 | 170.2 | 0 | 0 | 0 | 0 | 0 | 111.4 | W33 S34 A39 V40 F336 | W33-G37 PolarHBondContact O-N 3.08Å; S34-G37 PolarHBondContact O-N 2.57Å; G37-A39 VanDerWaalsContact C-N 3.29Å; G37-A39 PolarHBondContact O-N 3.33Å; G37-V40 WeakPolarHBondContact O-CG2 3.46Å; G37-F336 CarbonylContact C-O 3.59Å; G37-F336 WeakPolarHBondContact CA-O 3.16Å; G37-F336 VanDerWaalsContact O-CB 3.29Å; G37-F336 WeakPolarHBondContact O-CB 3.05Å |
| 38 | G | 93.6 | Very high | 91.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -61.4 | -37 | 171.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | S34 E35 L36 V40 G41 Q333 F336 | S34-G38 PolarHBondContact O-N 3.36Å; E35-G38 PolarHBondContact O-N 3.36Å; L36-G38 VanDerWaalsContact C-N 3.32Å; G38-V40 PolarHBondContact O-N 2.89Å; G38-G41 PolarHBondContact O-N 3.22Å; G38-Q333 VanDerWaalsContact CA-O 3.28Å; G38-Q333 WeakPolarHBondContact CA-O 3.5Å; G38-Q333 WeakPolarHBondContact O-CA 3.43Å; G38-Q333 WeakPolarHBondContact O-CB 3.35Å; G38-Q333 VanDerWaalsContact O-CG 3.25Å; G38-Q333 WeakPolarHBondContact O-CG 3.33Å; G38-F336 PolarHBondContact N-O 2.84Å; G38-F336 VanDerWaalsContact N-O 3.11Å |
| 39 | A | 96.1 | Very high | 92 | Very high | 4 Ų | 4 | 27.3 Ų | 27.3 | 3% | 0.033 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -62.7 | -33.5 | -174.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | E35 L36 G37 G41 S343 F346 L347 | E35-A39 WeakPolarHBondContact O-CB 3.14Å; E35-A39 PolarHBondContact O-N 2.88Å; L36-A39 WeakPolarHBondContact O-CB 3.07Å; L36-A39 PolarHBondContact O-N 3.08Å; L36-A39 VanDerWaalsContact O-N 3.15Å; G37-A39 VanDerWaalsContact C-N 3.29Å; G37-A39 PolarHBondContact O-N 3.33Å; A39-G41 VanDerWaalsContact C-N 3.31Å; A39-S343 WeakPolarHBondContact CA-OG 3.19Å; A39-S343 WeakPolarHBondContact CB-O 3.27Å; A39-S343 PolarHBondContact N-OG 3.42Å; A39-F346 HydrophobicContact CB-CB 4.34Å; A39-L347 HydrophobicContact CB-CB 4.1Å; A39-L347 WeakPolarHBondContact O-CD1 3.15Å; A39-L347 WeakPolarHBondContact O-CD2 3.4Å |
| 40 | V | 95.7 | Very high | 92.5 | Very high | 11 Ų | 11 | 21.9 Ų | 21.9 | 7% | 0.067 | 12% | 0.115 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.3 | -4.7 | 176.5 | -60.7 | 0 | 0 | 0 | 0 | 113.1 | L36 G37 G38 D42 L43 A223 L224 F227 M377 | L36-V40 PolarHBondContact O-N 3.37Å; G37-V40 WeakPolarHBondContact O-CG2 3.46Å; G38-V40 PolarHBondContact O-N 2.89Å; V40-D42 VanDerWaalsContact C-N 3.34Å; V40-D42 PolarHBondContact O-N 3.29Å; V40-L43 HydrophobicContact CB-CD1 3.78Å; V40-L43 HydrophobicContact CB-CG 4.37Å; V40-L43 HydrophobicContact CG1-CD1 3.9Å; V40-L43 VanDerWaalsContact O-CB 3.29Å; V40-L43 WeakPolarHBondContact O-CB 3.2Å; V40-L43 WeakPolarHBondContact O-CG 3.39Å; V40-L43 PolarHBondContact O-N 3.35Å; V40-L43 VanDerWaalsContact O-N 3.1Å; V40-A223 HydrophobicContact CG2-CB 3.91Å; V40-L224 HydrophobicContact CG1-CD1 4.06Å; V40-F227 HydrophobicContact CB-CB 4.45Å; V40-F227 HydrophobicContact CB-CD1 4.46Å; V40-F227 HydrophobicContact CB-CG 4.34Å; V40-F227 HydrophobicContact CG1-CB 4.46Å; V40-F227 HydrophobicContact CG1-CD1 3.76Å; V40-F227 HydrophobicContact CG1-CE1 4.24Å; V40-F227 HydrophobicContact CG1-CG 4.13Å; V40-F227 HydrophobicContact CG2-CB 4.46Å; V40-M377 HydrophobicContact CB-CE 4.1Å; V40-M377 HydrophobicContact CG2-CE 4.01Å; V40-M377 WeakPolarHBondContact O-CE 3.32Å |
| 41 | G | 93.9 | Very high | 93 | Very high | 0 Ų | 0 | 20.1 Ų | 20.1 | 0% | 0 | 11% | 0.105 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -67.9 | -27.7 | -167.3 | 0 | 0 | 0 | 0 | 0 | 115.3 | G38 A39 S381 | G38-G41 PolarHBondContact O-N 3.22Å; A39-G41 VanDerWaalsContact C-N 3.31Å; G41-S381 PolarHBondContact O-OG 3.43Å |
| 42 | D | 94 | Very high | 93.1 | Very high | 0 Ų | 0 | 18.1 Ų | 18.1 | 0% | 0 | 9% | 0.091 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -91.5 | -1.9 | 175.3 | 70.1 | -37.6 | 0 | 0 | 0 | 113.8 | V40 G44 T45 Y46 P84 Q333 L347 | V40-D42 VanDerWaalsContact C-N 3.34Å; V40-D42 PolarHBondContact O-N 3.29Å; D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 2.65Å; D42-T45 PolarHBondContact O-N 2.73Å; D42-T45 PolarHBondContact O-OG1 3.02Å; D42-Y46 PolarHBondContact O-N 2.91Å; D42-Y46 VanDerWaalsContact O-N 3.08Å; D42-P84 HydrophobicContact CB-CB 4.25Å; D42-Q333 HydrophobicContact CB-CG 4.06Å; D42-Q333 PolarHBondContact OD1-NE2 3.49Å; D42-Q333 PolarHBondContact OD2-NE2 3.35Å; D42-L347 WeakPolarHBondContact OD1-CD2 3.39Å |
| 43 | L | 93.6 | Very high | 93.1 | Very high | 13 Ų | 13 | 15.1 Ų | 15.1 | 7% | 0.068 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -63.3 | -30.7 | -176.5 | -68.1 | -177.3 | 0 | 0 | 0 | 113.5 | V40 T45 Y46 I47 F227 L347 | V40-L43 HydrophobicContact CB-CD1 3.78Å; V40-L43 HydrophobicContact CB-CG 4.37Å; V40-L43 HydrophobicContact CG1-CD1 3.9Å; V40-L43 VanDerWaalsContact O-CB 3.29Å; V40-L43 WeakPolarHBondContact O-CB 3.2Å; V40-L43 WeakPolarHBondContact O-CG 3.39Å; V40-L43 PolarHBondContact O-N 3.35Å; V40-L43 VanDerWaalsContact O-N 3.1Å; L43-T45 PolarHBondContact O-N 3.24Å; L43-Y46 HydrophobicContact CD2-CD1 4.5Å; L43-Y46 PolarHBondContact O-N 3.46Å; L43-I47 HydrophobicContact CB-CD1 3.93Å; L43-I47 HydrophobicContact CB-CG1 4.32Å; L43-I47 HydrophobicContact CD1-CD1 4.36Å; L43-I47 HydrophobicContact CD2-CD1 4.31Å; L43-I47 HydrophobicContact CD2-CG1 4.34Å; L43-I47 HydrophobicContact CG-CD1 4.44Å; L43-I47 WeakPolarHBondContact O-CB 3.27Å; L43-I47 PolarHBondContact O-N 3.01Å; L43-F227 HydrophobicContact CD1-CD1 4.36Å; L43-F227 HydrophobicContact CD1-CD2 3.84Å; L43-F227 HydrophobicContact CD1-CE1 3.94Å; L43-F227 HydrophobicContact CD1-CE2 3.4Å; L43-F227 HydrophobicContact CD1-CG 4.31Å; L43-F227 HydrophobicContact CD1-CZ 3.45Å; L43-F227 VanDerWaalsContact CD1-CZ 3.45Å; L43-L347 HydrophobicContact CD2-CD1 4.17Å |
| 44 | G | 90.4 | Very high | 93.2 | Very high | 1 Ų | 1 | 8.2 Ų | 8.2 | 1% | 0.01 | 5% | 0.048 | C | C | . | . | H | α-helix | trans | -62.4 | -22.4 | 173.8 | 0 | 0 | 0 | 0 | 0 | 113.6 | D42 P48 | D42-G44 VanDerWaalsContact C-N 3.27Å; D42-G44 PolarHBondContact O-N 2.65Å; G44-P48 WeakPolarHBondContact O-CD 3.35Å; G44-P48 WeakPolarHBondContact O-CG 3.34Å |
| 45 | T | 90.6 | Very high | 93.2 | Very high | 8 Ų | 8 | 10.3 Ų | 10.3 | 5% | 0.049 | 6% | 0.057 | C | C | . | . | H | α-helix | trans | -96.9 | -26.5 | 175 | 67.7 | 0 | 0 | 0 | 0 | 112.8 | D42 L43 I49 Q86 F149 L378 | D42-T45 PolarHBondContact O-N 2.73Å; D42-T45 PolarHBondContact O-OG1 3.02Å; L43-T45 PolarHBondContact O-N 3.24Å; T45-I49 WeakPolarHBondContact O-CD1 3.42Å; T45-Q86 VanDerWaalsContact OG1-CD 3.26Å; T45-Q86 PolarHBondContact OG1-NE2 2.68Å; T45-F149 HydrophobicContact CG2-CD2 4.07Å; T45-F149 HydrophobicContact CG2-CE1 4.29Å; T45-F149 HydrophobicContact CG2-CE2 3.32Å; T45-F149 HydrophobicContact CG2-CZ 3.41Å; T45-F149 VanDerWaalsContact CG2-CZ 3.41Å; T45-L378 HydrophobicContact CG2-CD1 3.49Å; T45-L378 VanDerWaalsContact CG2-CD1 3.49Å |
| 46 | Y | 94.7 | Very high | 92.9 | Very high | 4 Ų | 4 | 11.7 Ų | 11.7 | 2% | 0.016 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -84.5 | -55.4 | -175.6 | -179.8 | -85.2 | 0 | 0 | 0 | 111.9 | D42 L43 I49 V50 L65 T68 P87 | D42-Y46 PolarHBondContact O-N 2.91Å; D42-Y46 VanDerWaalsContact O-N 3.08Å; L43-Y46 HydrophobicContact CD2-CD1 4.5Å; L43-Y46 PolarHBondContact O-N 3.46Å; Y46-I49 PolarHBondContact O-N 2.84Å; Y46-V50 HydrophobicContact CD1-CG1 4.34Å; Y46-V50 HydrophobicContact CD1-CG2 3.97Å; Y46-V50 HydrophobicContact CE1-CB 4.45Å; Y46-V50 HydrophobicContact CE1-CG1 3.92Å; Y46-V50 HydrophobicContact CE1-CG2 3.71Å; Y46-V50 HydrophobicContact CE2-CG1 4.26Å; Y46-V50 PolarHBondContact O-N 3.36Å; Y46-L65 HydrophobicContact CE1-CD2 4.28Å; Y46-T68 HydrophobicContact CE2-CG2 4.17Å; Y46-T68 PolarHBondContact OH-OG1 2.85Å; Y46-P87 HydrophobicContact CD2-CG 4.28Å; Y46-P87 HydrophobicContact CE2-CG 4.47Å |
| 47 | I | 94.2 | Very high | 92.4 | Very high | 5 Ų | 5 | 10.5 Ų | 10.5 | 3% | 0.026 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -59.7 | -50.1 | -169.4 | -69.6 | 174.5 | 0 | 0 | 0 | 112.3 | L43 I49 V50 L51 F227 L366 L374 | L43-I47 HydrophobicContact CB-CD1 3.93Å; L43-I47 HydrophobicContact CB-CG1 4.32Å; L43-I47 HydrophobicContact CD1-CD1 4.36Å; L43-I47 HydrophobicContact CD2-CD1 4.31Å; L43-I47 HydrophobicContact CD2-CG1 4.34Å; L43-I47 HydrophobicContact CG-CD1 4.44Å; L43-I47 WeakPolarHBondContact O-CB 3.27Å; L43-I47 PolarHBondContact O-N 3.01Å; I47-I49 PolarHBondContact O-N 3.22Å; I47-V50 WeakPolarHBondContact O-CG2 3.39Å; I47-V50 PolarHBondContact O-N 3.32Å; I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 PolarHBondContact O-N 3.5Å; I47-F227 HydrophobicContact CD1-CE2 3.98Å; I47-L366 HydrophobicContact CD1-CD2 4.21Å; I47-L366 HydrophobicContact CG2-CD1 4.38Å; I47-L366 HydrophobicContact CG2-CD2 4.24Å; I47-L374 HydrophobicContact CB-CD1 4.15Å; I47-L374 HydrophobicContact CB-CD2 4.43Å; I47-L374 HydrophobicContact CD1-CD2 3.99Å; I47-L374 HydrophobicContact CG2-CD1 3.7Å |
| 48 | P | 92.5 | Very high | 92.1 | Very high | 5 Ų | 5 | 18.1 Ų | 18.1 | 3% | 0.032 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -57.6 | -38.1 | -177 | -26.2 | 35.5 | 0 | 0 | 0 | 113.2 | G44 A52 Y156 F163 L374 | G44-P48 WeakPolarHBondContact O-CD 3.35Å; G44-P48 WeakPolarHBondContact O-CG 3.34Å; P48-A52 WeakPolarHBondContact O-CB 3.46Å; P48-A52 PolarHBondContact O-N 3.05Å; P48-Y156 HydrophobicContact CB-CE2 4.02Å; P48-Y156 WeakPolarHBondContact CB-OH 3.49Å; P48-Y156 HydrophobicContact CG-CE2 3.71Å; P48-F163 HydrophobicContact CB-CE1 3.9Å; P48-F163 HydrophobicContact CB-CZ 3.77Å; P48-F163 HydrophobicContact CG-CZ 4.5Å; P48-L374 HydrophobicContact CG-CD1 4.44Å |
| 49 | I | 92.1 | Very high | 92.1 | Very high | 32 Ų | 32 | 18.2 Ų | 18.2 | 16% | 0.164 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -72.5 | -50.1 | -177.4 | -60.6 | 175.3 | 0 | 0 | 0 | 110.9 | T45 Y46 I47 L51 A52 L53 P87 K89 A92 | T45-I49 WeakPolarHBondContact O-CD1 3.42Å; Y46-I49 PolarHBondContact O-N 2.84Å; I47-I49 PolarHBondContact O-N 3.22Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 3.36Å; I49-A52 PolarHBondContact O-N 3.05Å; I49-L53 HydrophobicContact CG2-CD1 3.96Å; I49-L53 WeakPolarHBondContact O-CG 3.39Å; I49-L53 PolarHBondContact O-N 2.87Å; I49-P87 HydrophobicContact CB-CB 4.12Å; I49-P87 HydrophobicContact CB-CG 4.14Å; I49-P87 HydrophobicContact CD1-CB 4.31Å; I49-P87 HydrophobicContact CG2-CB 3.53Å; I49-P87 HydrophobicContact CG2-CG 4.01Å; I49-K89 HydrophobicContact CD1-CG 4.01Å; I49-A92 HydrophobicContact CG2-CB 3.46Å; I49-A92 VanDerWaalsContact CG2-CB 3.46Å |
| 50 | V | 94 | Very high | 92.1 | Very high | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -66 | -36.8 | -179.8 | -60.4 | 0 | 0 | 0 | 0 | 111.2 | Y46 I47 S54 L61 T64 P87 | Y46-V50 HydrophobicContact CD1-CG1 4.34Å; Y46-V50 HydrophobicContact CD1-CG2 3.97Å; Y46-V50 HydrophobicContact CE1-CB 4.45Å; Y46-V50 HydrophobicContact CE1-CG1 3.92Å; Y46-V50 HydrophobicContact CE1-CG2 3.71Å; Y46-V50 HydrophobicContact CE2-CG1 4.26Å; Y46-V50 PolarHBondContact O-N 3.36Å; I47-V50 WeakPolarHBondContact O-CG2 3.39Å; I47-V50 PolarHBondContact O-N 3.32Å; V50-S54 VanDerWaalsContact O-CB 3.27Å; V50-S54 WeakPolarHBondContact O-CB 3.46Å; V50-S54 PolarHBondContact O-N 3.36Å; V50-S54 PolarHBondContact O-OG 3.24Å; V50-L61 HydrophobicContact CB-CD1 3.87Å; V50-L61 HydrophobicContact CG2-CD1 3.77Å; V50-T64 HydrophobicContact CG1-CG2 4.18Å; V50-P87 HydrophobicContact CG1-CG 3.57Å |
| 51 | L | 93.3 | Very high | 92.1 | Very high | 2 Ų | 2 | 19.7 Ų | 19.7 | 1% | 0.01 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -64.6 | -49.7 | 177.3 | -179.3 | 60.6 | 0 | 0 | 0 | 111 | I47 I49 L53 S54 L55 F163 V363 L366 | I47-L51 WeakPolarHBondContact O-CB 3.44Å; I47-L51 PolarHBondContact O-N 3.5Å; I49-L51 VanDerWaalsContact C-N 3.3Å; I49-L51 PolarHBondContact O-N 3.36Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.41Å; L51-S54 PolarHBondContact O-N 2.89Å; L51-L55 HydrophobicContact CD1-CD1 3.79Å; L51-L55 HydrophobicContact CD1-CG 4.09Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.39Å; L51-L55 PolarHBondContact O-N 3.37Å; L51-F163 HydrophobicContact CD2-CB 4.32Å; L51-F163 HydrophobicContact CD2-CD2 3.78Å; L51-F163 HydrophobicContact CD2-CG 4.29Å; L51-F163 HydrophobicContact CG-CB 4.23Å; L51-V363 HydrophobicContact CD1-CG1 4.08Å; L51-L366 HydrophobicContact CD1-CB 3.99Å |
| 52 | A | 91.5 | Very high | 92.2 | Very high | 9 Ų | 9 | 19.7 Ų | 19.7 | 7% | 0.074 | 11% | 0.107 | C | C | . | . | H | α-helix | trans | -58.7 | -45.1 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112 | P48 I49 L55 A56 L96 F163 | P48-A52 WeakPolarHBondContact O-CB 3.46Å; P48-A52 PolarHBondContact O-N 3.05Å; I49-A52 PolarHBondContact O-N 3.05Å; A52-L55 PolarHBondContact O-N 2.9Å; A52-A56 WeakPolarHBondContact O-CB 3.37Å; A52-A56 PolarHBondContact O-N 3.36Å; A52-L96 HydrophobicContact CB-CD1 3.66Å; A52-L96 HydrophobicContact CB-CD2 4.15Å; A52-F163 HydrophobicContact CB-CB 4.37Å; A52-F163 HydrophobicContact CB-CD1 3.96Å |
| 53 | L | 92 | Very high | 92.3 | Very high | 1 Ų | 1 | 19.9 Ų | 19.9 | 1% | 0.005 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -69.5 | -34.5 | 178.2 | -71.9 | 171.2 | 0 | 0 | 0 | 113.2 | I49 L51 L55 S57 H58 L59 A92 A95 L96 M321 | I49-L53 HydrophobicContact CG2-CD1 3.96Å; I49-L53 WeakPolarHBondContact O-CG 3.39Å; I49-L53 PolarHBondContact O-N 2.87Å; L51-L53 VanDerWaalsContact C-N 3.34Å; L51-L53 PolarHBondContact O-N 3.41Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L53-S57 CarbonylContact O-C 3.41Å; L53-S57 WeakPolarHBondContact O-CA 3.27Å; L53-S57 WeakPolarHBondContact O-CB 3.31Å; L53-S57 PolarHBondContact O-N 3.19Å; L53-H58 PolarHBondContact O-N 3.09Å; L53-L59 HydrophobicContact CB-CB 4.07Å; L53-L59 HydrophobicContact CB-CD2 3.89Å; L53-L59 HydrophobicContact CD1-CD2 4.41Å; L53-L59 PolarHBondContact O-N 3.48Å; L53-A92 HydrophobicContact CD1-CB 3.87Å; L53-A95 HydrophobicContact CD2-CB 3.77Å; L53-L96 HydrophobicContact CD2-CD1 4.28Å; L53-L96 HydrophobicContact CD2-CD2 3.89Å; L53-L96 HydrophobicContact CD2-CG 3.76Å; L53-L96 HydrophobicContact CG-CD1 4.36Å; L53-L96 HydrophobicContact CG-CD2 4.42Å; L53-L96 HydrophobicContact CG-CG 4.35Å; L53-M321 HydrophobicContact CD1-CE 3.62Å; L53-M321 HydrophobicContact CD1-CG 4.45Å; L53-M321 HydrophobicContact CD1-SD 3.35Å; L53-M321 WeakPolarHBondContact CD1-SD 3.5Å |
| 54 | S | 93.2 | Very high | 92.5 | Very high | 10 Ų | 10 | 19.2 Ų | 19.2 | 7% | 0.07 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.7 | -37.1 | 176.8 | -54.4 | 0 | 0 | 0 | 0 | 111.3 | V50 L51 H58 L59 | V50-S54 VanDerWaalsContact O-CB 3.27Å; V50-S54 WeakPolarHBondContact O-CB 3.46Å; V50-S54 PolarHBondContact O-N 3.36Å; V50-S54 PolarHBondContact O-OG 3.24Å; L51-S54 PolarHBondContact O-N 2.89Å; S54-H58 WeakPolarHBondContact O-CA 3.21Å; S54-L59 WeakPolarHBondContact CA-O 3.25Å; S54-L59 WeakPolarHBondContact CB-O 3.19Å; S54-L59 PolarHBondContact OG-O 3.17Å |
| 55 | L | 90.6 | Very high | 92.9 | Very high | 64 Ų | 64 | 19.4 Ų | 19.4 | 34% | 0.335 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -79.9 | -42.4 | 179.4 | -66.8 | 175.1 | 0 | 0 | 0 | 112.9 | L51 A52 L53 F163 V363 | L51-L55 HydrophobicContact CD1-CD1 3.79Å; L51-L55 HydrophobicContact CD1-CG 4.09Å; L51-L55 HydrophobicContact CG-CD1 3.97Å; L51-L55 WeakPolarHBondContact O-CB 3.28Å; L51-L55 WeakPolarHBondContact O-CG 3.39Å; L51-L55 PolarHBondContact O-N 3.37Å; A52-L55 PolarHBondContact O-N 2.9Å; L53-L55 VanDerWaalsContact C-N 3.33Å; L55-F163 HydrophobicContact CD1-CB 4.1Å; L55-V363 HydrophobicContact CD2-CG1 3.59Å; L55-V363 HydrophobicContact CG-CG1 4.16Å |
| 56 | A | 87 | Confident | 93.2 | Very high | 30 Ų | 30 | 19.9 Ų | 19.9 | 25% | 0.248 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -91.8 | -35.6 | -172.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | A52 L96 | A52-A56 WeakPolarHBondContact O-CB 3.37Å; A52-A56 PolarHBondContact O-N 3.36Å; A56-L96 HydrophobicContact CB-CD2 3.69Å |
| 57 | S | 85.6 | Confident | 93.4 | Very high | 21 Ų | 21 | 20.5 Ų | 20.5 | 15% | 0.147 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -112.6 | 4.3 | -174.8 | -52.4 | 0 | 0 | 0 | 0 | 112.9 | L53 L59 I103 | L53-S57 CarbonylContact O-C 3.41Å; L53-S57 WeakPolarHBondContact O-CA 3.27Å; L53-S57 WeakPolarHBondContact O-CB 3.31Å; L53-S57 PolarHBondContact O-N 3.19Å; S57-L59 PolarHBondContact O-N 3Å; S57-I103 WeakPolarHBondContact O-CD1 3.35Å |
| 58 | H | 86.5 | Confident | 93.6 | Very high | 160 Ų | 160 | 20.2 Ų | 20.2 | 74% | 0.741 | 11% | 0.109 | S | C | * | . | trans | 54.9 | 32.7 | -176.2 | -54.2 | -66.3 | 0 | 0 | 0 | 114 | L53 S54 D60 | L53-H58 PolarHBondContact O-N 3.09Å; S54-H58 WeakPolarHBondContact O-CA 3.21Å; H58-D60 PolarHBondContact O-N 3.15Å | ||
| 59 | L | 92.8 | Very high | 93.9 | Very high | 3 Ų | 3 | 20.1 Ų | 20.1 | 2% | 0.016 | 11% | 0.109 | C | C | . | . | trans | -60.4 | 131.8 | 170.7 | 179.3 | 81 | 0 | 0 | 0 | 109.4 | L53 S54 S57 L61 I103 M107 G319 M321 | L53-L59 HydrophobicContact CB-CB 4.07Å; L53-L59 HydrophobicContact CB-CD2 3.89Å; L53-L59 HydrophobicContact CD1-CD2 4.41Å; L53-L59 PolarHBondContact O-N 3.48Å; S54-L59 WeakPolarHBondContact CA-O 3.25Å; S54-L59 WeakPolarHBondContact CB-O 3.19Å; S54-L59 PolarHBondContact OG-O 3.17Å; S57-L59 PolarHBondContact O-N 3Å; L59-L61 PolarHBondContact O-N 3.37Å; L59-I103 HydrophobicContact CB-CD1 4.02Å; L59-I103 HydrophobicContact CD1-CD1 4.03Å; L59-M107 HydrophobicContact CD1-CE 4.07Å; L59-G319 WeakPolarHBondContact CD1-O 3.35Å; L59-M321 HydrophobicContact CD1-CB 4.45Å; L59-M321 HydrophobicContact CD2-CB 3.88Å; L59-M321 HydrophobicContact CD2-CG 4.39Å; L59-M321 HydrophobicContact CD2-SD 4.36Å | ||
| 60 | D | 95.3 | Very high | 94.2 | Very high | 45 Ų | 45 | 22.9 Ų | 22.9 | 24% | 0.241 | 12% | 0.123 | C | C | . | . | trans | -74.3 | 110.1 | 176.8 | -173.4 | -93.3 | 0 | 0 | 0 | 110.9 | H58 G62 T63 T64 A250 N360 | H58-D60 PolarHBondContact O-N 3.15Å; D60-G62 PolarHBondContact OD1-N 3.22Å; D60-T63 WeakPolarHBondContact OD1-CB 3.45Å; D60-T63 PolarHBondContact OD1-N 2.93Å; D60-T63 PolarHBondContact OD1-OG1 3.24Å; D60-T64 PolarHBondContact O-N 2.98Å; D60-T64 PolarHBondContact O-OG1 3.24Å; D60-T64 VanDerWaalsContact O-OG1 3.09Å; D60-A250 WeakPolarHBondContact OD1-CB 3.29Å; D60-A250 WeakPolarHBondContact OD2-CB 3.34Å; D60-N360 WeakPolarHBondContact OD2-CB 3.49Å | ||
| 61 | L | 95.6 | Very high | 94.4 | Very high | 0 Ų | 0 | 23.8 Ų | 23.8 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -68.5 | -37.7 | -177.7 | -178.2 | 60.5 | 0 | 0 | 0 | 111.5 | V50 L59 T63 T64 L65 N360 F362 V363 L366 | V50-L61 HydrophobicContact CB-CD1 3.87Å; V50-L61 HydrophobicContact CG2-CD1 3.77Å; L59-L61 PolarHBondContact O-N 3.37Å; L61-T63 PolarHBondContact O-N 2.89Å; L61-T64 PolarHBondContact O-N 3.42Å; L61-L65 HydrophobicContact CD1-CG 4.17Å; L61-L65 HydrophobicContact CG-CD1 4.05Å; L61-L65 HydrophobicContact CG-CG 4.19Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.3Å; L61-L65 WeakPolarHBondContact O-CG 3.5Å; L61-L65 PolarHBondContact O-N 3.31Å; L61-N360 PolarHBondContact N-OD1 3.43Å; L61-F362 HydrophobicContact CD2-CB 4.22Å; L61-F362 HydrophobicContact CD2-CD1 3.89Å; L61-V363 HydrophobicContact CB-CG2 3.62Å; L61-V363 HydrophobicContact CD2-CB 4.32Å; L61-V363 HydrophobicContact CD2-CG2 3.48Å; L61-V363 VanDerWaalsContact CD2-CG2 3.48Å; L61-V363 HydrophobicContact CG-CG2 4.19Å; L61-L366 HydrophobicContact CD2-CD1 3.7Å |
| 62 | G | 96.7 | Very high | 94.7 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.4 | -48.6 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | D60 T64 L65 I66 | D60-G62 PolarHBondContact OD1-N 3.22Å; G62-T64 PolarHBondContact O-N 2.61Å; G62-L65 PolarHBondContact O-N 3.45Å; G62-I66 WeakPolarHBondContact O-CG1 3.32Å; G62-I66 PolarHBondContact O-N 3.17Å |
| 63 | T | 96.9 | Very high | 95 | Very high | 4 Ų | 4 | 28.1 Ų | 28.1 | 3% | 0.025 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -59.8 | -46.7 | 175 | -59 | 0 | 0 | 0 | 0 | 110.6 | D60 L61 L65 I66 F67 L252 F318 A320 | D60-T63 WeakPolarHBondContact OD1-CB 3.45Å; D60-T63 PolarHBondContact OD1-N 2.93Å; D60-T63 PolarHBondContact OD1-OG1 3.24Å; L61-T63 PolarHBondContact O-N 2.89Å; T63-L65 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 3.03Å; T63-I66 PolarHBondContact O-N 3.45Å; T63-F67 HydrophobicContact CG2-CD2 3.74Å; T63-F67 HydrophobicContact CG2-CE2 3.83Å; T63-F67 WeakPolarHBondContact O-CD2 3.4Å; T63-F67 PolarHBondContact O-N 3.43Å; T63-L252 HydrophobicContact CG2-CD2 3.87Å; T63-F318 HydrophobicContact CG2-CB 4.32Å; T63-F318 WeakPolarHBondContact CG2-O 3.36Å; T63-A320 HydrophobicContact CG2-CB 4.29Å |
| 64 | T | 97.8 | Very high | 95.2 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -60.4 | -42 | 176.7 | -63.6 | 0 | 0 | 0 | 0 | 112.1 | V50 D60 L61 G62 T68 M321 | V50-T64 HydrophobicContact CG1-CG2 4.18Å; D60-T64 PolarHBondContact O-N 2.98Å; D60-T64 PolarHBondContact O-OG1 3.24Å; D60-T64 VanDerWaalsContact O-OG1 3.09Å; L61-T64 PolarHBondContact O-N 3.42Å; G62-T64 PolarHBondContact O-N 2.61Å; T64-T68 HydrophobicContact CG2-CG2 4.19Å; T64-T68 VanDerWaalsContact O-CB 3.29Å; T64-T68 WeakPolarHBondContact O-CB 3.09Å; T64-T68 WeakPolarHBondContact O-CG2 3.26Å; T64-T68 PolarHBondContact O-N 3.3Å; T64-T68 PolarHBondContact O-OG1 2.82Å; T64-M321 HydrophobicContact CG2-CB 3.63Å; T64-M321 PolarHBondContact OG1-N 2.94Å; T64-M321 VanDerWaalsContact OG1-N 3.15Å |
| 65 | L | 97.6 | Very high | 95.4 | Very high | 5 Ų | 5 | 29.7 Ų | 29.7 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.4 | -44.5 | 176.4 | -72.8 | 173.2 | 0 | 0 | 0 | 112 | Y46 L61 G62 T63 T68 A69 K351 L354 F362 | Y46-L65 HydrophobicContact CE1-CD2 4.28Å; L61-L65 HydrophobicContact CD1-CG 4.17Å; L61-L65 HydrophobicContact CG-CD1 4.05Å; L61-L65 HydrophobicContact CG-CG 4.19Å; L61-L65 WeakPolarHBondContact O-CB 3.49Å; L61-L65 VanDerWaalsContact O-CG 3.3Å; L61-L65 WeakPolarHBondContact O-CG 3.5Å; L61-L65 PolarHBondContact O-N 3.31Å; G62-L65 PolarHBondContact O-N 3.45Å; T63-L65 VanDerWaalsContact C-N 3.35Å; T63-L65 PolarHBondContact O-N 3.03Å; L65-T68 PolarHBondContact O-OG1 3.44Å; L65-A69 WeakPolarHBondContact O-CB 3.34Å; L65-A69 PolarHBondContact O-N 3.22Å; L65-K351 HydrophobicContact CD2-CB 4.37Å; L65-K351 HydrophobicContact CD2-CG 4.15Å; L65-L354 HydrophobicContact CD1-CB 4.28Å; L65-F362 HydrophobicContact CD1-CD1 3.75Å; L65-F362 HydrophobicContact CD1-CE1 4.41Å; L65-F362 HydrophobicContact CD1-CG 4.4Å |
| 66 | I | 98 | Very high | 95.7 | Very high | 18 Ų | 18 | 26.6 Ų | 26.6 | 9% | 0.092 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -61.3 | -53.3 | 179.1 | -68.5 | 165.6 | 0 | 0 | 0 | 110.4 | G62 T63 T68 A69 L70 P249 L352 L356 | G62-I66 WeakPolarHBondContact O-CG1 3.32Å; G62-I66 PolarHBondContact O-N 3.17Å; T63-I66 PolarHBondContact O-N 3.45Å; I66-T68 PolarHBondContact O-N 3.09Å; I66-A69 WeakPolarHBondContact O-CB 3.35Å; I66-A69 PolarHBondContact O-N 3.33Å; I66-L70 HydrophobicContact CG2-CD1 4.49Å; I66-L70 WeakPolarHBondContact O-CG 3.2Å; I66-L70 PolarHBondContact O-N 2.88Å; I66-P249 HydrophobicContact CD1-CB 4.4Å; I66-L352 HydrophobicContact CG2-CD1 4.33Å; I66-L356 HydrophobicContact CD1-CD2 4.14Å; I66-L356 HydrophobicContact CG1-CD2 4.44Å |
| 67 | F | 98.5 | Very high | 96.1 | Very high | 16 Ų | 16 | 27.8 Ų | 27.8 | 7% | 0.07 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -65.1 | -43.2 | -179 | -82.8 | -79.3 | 0 | 0 | 0 | 112.2 | T63 A69 L70 Y71 L252 V314 F318 A320 | T63-F67 HydrophobicContact CG2-CD2 3.74Å; T63-F67 HydrophobicContact CG2-CE2 3.83Å; T63-F67 WeakPolarHBondContact O-CD2 3.4Å; T63-F67 PolarHBondContact O-N 3.43Å; F67-A69 VanDerWaalsContact C-N 3.26Å; F67-A69 PolarHBondContact O-N 3.42Å; F67-L70 PolarHBondContact O-N 3.46Å; F67-Y71 HydrophobicContact CB-CE2 4.03Å; F67-Y71 HydrophobicContact CD1-CE1 4.24Å; F67-Y71 AromaticContact CD1-CZ 3.95Å; F67-Y71 VanDerWaalsContact CD1-OH 3.27Å; F67-Y71 WeakPolarHBondContact CD1-OH 3.45Å; F67-Y71 VanDerWaalsContact O-CD1 3.29Å; F67-Y71 WeakPolarHBondContact O-CD1 3.26Å; F67-Y71 VanDerWaalsContact O-CD2 3.3Å; F67-Y71 WeakPolarHBondContact O-CD2 3.34Å; F67-Y71 PolarHBondContact O-N 2.96Å; F67-L252 HydrophobicContact CE2-CD2 4.04Å; F67-V314 HydrophobicContact CD1-CG1 4.37Å; F67-V314 HydrophobicContact CE1-CG1 3.94Å; F67-F318 HydrophobicContact CD2-CB 4.46Å; F67-F318 AromaticContact CE1-CD2 3.87Å; F67-F318 HydrophobicContact CE1-CD2 3.87Å; F67-F318 HydrophobicContact CE1-CE2 4.31Å; F67-F318 HydrophobicContact CE1-CG 4.48Å; F67-F318 HydrophobicContact CE2-CB 3.49Å; F67-F318 VanDerWaalsContact CE2-CB 3.49Å; F67-F318 HydrophobicContact CE2-CD2 4.01Å; F67-F318 AromaticContact CE2-CG 3.81Å; F67-F318 HydrophobicContact CE2-CG 3.81Å; F67-F318 HydrophobicContact CZ-CB 3.69Å; F67-F318 HydrophobicContact CZ-CD1 4.25Å; F67-F318 AromaticContact CZ-CD2 3.25Å; F67-F318 HydrophobicContact CZ-CD2 3.25Å; F67-F318 AromaticContact CZ-CE2 3.9Å; F67-F318 HydrophobicContact CZ-CE2 3.9Å; F67-F318 AromaticContact CZ-CG 3.46Å; F67-F318 HydrophobicContact CZ-CG 3.46Å; F67-F318 VanDerWaalsContact CZ-CG 3.46Å; F67-A320 HydrophobicContact CB-CB 3.73Å; F67-A320 HydrophobicContact CD2-CB 3.7Å; F67-A320 HydrophobicContact CG-CB 3.83Å |
| 68 | T | 98.2 | Very high | 96.6 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -67.6 | -26.4 | 177 | 59.5 | 0 | 0 | 0 | 0 | 112.9 | Y46 T64 L65 I66 Y71 N72 V85 C323 | Y46-T68 HydrophobicContact CE2-CG2 4.17Å; Y46-T68 PolarHBondContact OH-OG1 2.85Å; T64-T68 HydrophobicContact CG2-CG2 4.19Å; T64-T68 VanDerWaalsContact O-CB 3.29Å; T64-T68 WeakPolarHBondContact O-CB 3.09Å; T64-T68 WeakPolarHBondContact O-CG2 3.26Å; T64-T68 PolarHBondContact O-N 3.3Å; T64-T68 PolarHBondContact O-OG1 2.82Å; L65-T68 PolarHBondContact O-OG1 3.44Å; I66-T68 PolarHBondContact O-N 3.09Å; T68-Y71 HydrophobicContact CG2-CD2 4.5Å; T68-N72 WeakPolarHBondContact O-CB 3.5Å; T68-N72 PolarHBondContact O-N 3.3Å; T68-N72 PolarHBondContact O-ND2 3.41Å; T68-V85 HydrophobicContact CG2-CG1 4.05Å; T68-C323 WeakPolarHBondContact CG2-SG 3.44Å |
| 69 | A | 98.5 | Very high | 97 | Very high | 2 Ų | 2 | 26.8 Ų | 26.8 | 2% | 0.017 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -66.1 | -48.8 | 169.1 | 0 | 0 | 0 | 0 | 0 | 111.5 | L65 I66 F67 Y71 N72 F73 A348 K351 L352 | L65-A69 WeakPolarHBondContact O-CB 3.34Å; L65-A69 PolarHBondContact O-N 3.22Å; I66-A69 WeakPolarHBondContact O-CB 3.35Å; I66-A69 PolarHBondContact O-N 3.33Å; F67-A69 VanDerWaalsContact C-N 3.26Å; F67-A69 PolarHBondContact O-N 3.42Å; A69-Y71 VanDerWaalsContact C-N 3.26Å; A69-Y71 PolarHBondContact O-N 3.26Å; A69-N72 PolarHBondContact O-N 3.36Å; A69-F73 PolarHBondContact O-N 3.34Å; A69-A348 HydrophobicContact CB-CB 4.47Å; A69-A348 VanDerWaalsContact CB-O 3.31Å; A69-A348 WeakPolarHBondContact CB-O 3.4Å; A69-A348 WeakPolarHBondContact O-CB 3.2Å; A69-K351 HydrophobicContact CB-CB 3.8Å; A69-L352 HydrophobicContact CB-CB 3.76Å; A69-L352 HydrophobicContact CB-CD1 4.41Å |
| 70 | L | 98.5 | Very high | 97 | Very high | 91 Ų | 91 | 26.7 Ų | 26.7 | 48% | 0.476 | 14% | 0.139 | S | C | . | . | H | α-helix | trans | -57.6 | -41.5 | 176.7 | -64.5 | 175.9 | 0 | 0 | 0 | 111.5 | I66 F67 F73 A74 | I66-L70 HydrophobicContact CG2-CD1 4.49Å; I66-L70 WeakPolarHBondContact O-CG 3.2Å; I66-L70 PolarHBondContact O-N 2.88Å; F67-L70 PolarHBondContact O-N 3.46Å; L70-F73 PolarHBondContact O-N 3.25Å; L70-A74 PolarHBondContact O-N 3Å |
| 71 | Y | 98.6 | Very high | 96.9 | Very high | 19 Ų | 19 | 24.6 Ų | 24.6 | 8% | 0.075 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -64.6 | -46.6 | 176.7 | -56.7 | -19.7 | 0 | 0 | 0 | 112.1 | F67 T68 A69 F73 A74 T75 V85 M311 G315 | F67-Y71 HydrophobicContact CB-CE2 4.03Å; F67-Y71 HydrophobicContact CD1-CE1 4.24Å; F67-Y71 AromaticContact CD1-CZ 3.95Å; F67-Y71 VanDerWaalsContact CD1-OH 3.27Å; F67-Y71 WeakPolarHBondContact CD1-OH 3.45Å; F67-Y71 VanDerWaalsContact O-CD1 3.29Å; F67-Y71 WeakPolarHBondContact O-CD1 3.26Å; F67-Y71 VanDerWaalsContact O-CD2 3.3Å; F67-Y71 WeakPolarHBondContact O-CD2 3.34Å; F67-Y71 PolarHBondContact O-N 2.96Å; T68-Y71 HydrophobicContact CG2-CD2 4.5Å; A69-Y71 VanDerWaalsContact C-N 3.26Å; A69-Y71 PolarHBondContact O-N 3.26Å; Y71-F73 VanDerWaalsContact C-N 3.27Å; Y71-F73 PolarHBondContact O-N 3.06Å; Y71-A74 PolarHBondContact O-N 3.43Å; Y71-T75 WeakPolarHBondContact O-CB 3.41Å; Y71-T75 WeakPolarHBondContact O-CG2 3.29Å; Y71-T75 PolarHBondContact O-N 3.47Å; Y71-T75 PolarHBondContact O-OG1 3.35Å; Y71-T75 VanDerWaalsContact O-OG1 3.09Å; Y71-V85 HydrophobicContact CD2-CG1 3.96Å; Y71-V85 HydrophobicContact CG-CG1 4.5Å; Y71-M311 HydrophobicContact CD1-CB 4.26Å; Y71-M311 HydrophobicContact CD1-CG 3.85Å; Y71-M311 HydrophobicContact CD2-CB 3.88Å; Y71-M311 HydrophobicContact CD2-CG 3.83Å; Y71-M311 HydrophobicContact CD2-SD 3.89Å; Y71-M311 HydrophobicContact CE1-CB 4.3Å; Y71-M311 HydrophobicContact CE1-CG 4.36Å; Y71-M311 HydrophobicContact CE2-CB 3.9Å; Y71-M311 HydrophobicContact CE2-CG 4.33Å; Y71-M311 HydrophobicContact CG-CB 4.09Å; Y71-M311 HydrophobicContact CG-CG 3.6Å; Y71-M311 HydrophobicContact CG-SD 3.81Å; Y71-M311 PolarHBondContact OH-O 3.34Å; Y71-G315 WeakPolarHBondContact OH-CA 3.31Å; Y71-G315 PolarHBondContact OH-N 3.04Å |
| 72 | N | 98.5 | Very high | 97 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -62 | -35.9 | 177.2 | -82 | -57.3 | 0 | 0 | 0 | 112.1 | T68 A69 T75 G76 V85 V344 A348 K351 | T68-N72 WeakPolarHBondContact O-CB 3.5Å; T68-N72 PolarHBondContact O-N 3.3Å; T68-N72 PolarHBondContact O-ND2 3.41Å; A69-N72 PolarHBondContact O-N 3.36Å; N72-T75 WeakPolarHBondContact CA-OG1 3.19Å; N72-T75 PolarHBondContact O-OG1 2.88Å; N72-G76 PolarHBondContact O-N 2.9Å; N72-V85 WeakPolarHBondContact OD1-CG2 3.27Å; N72-V344 HydrophobicContact CB-CB 4.32Å; N72-V344 WeakPolarHBondContact CB-O 3.26Å; N72-A348 HydrophobicContact CB-CB 3.78Å; N72-K351 PolarHBondContact ND2-NZ 3Å |
| 73 | F | 98 | Very high | 97 | Very high | 101 Ų | 101 | 24.6 Ų | 24.6 | 44% | 0.443 | 13% | 0.128 | S | C | . | . | H | α-helix | trans | -63.9 | -50 | 174.2 | -167.7 | -97.9 | 0 | 0 | 0 | 110.9 | A69 L70 Y71 L77 V345 A348 | A69-F73 PolarHBondContact O-N 3.34Å; L70-F73 PolarHBondContact O-N 3.25Å; Y71-F73 VanDerWaalsContact C-N 3.27Å; Y71-F73 PolarHBondContact O-N 3.06Å; F73-L77 HydrophobicContact CD1-CD1 3.79Å; F73-L77 HydrophobicContact CE1-CD1 3.43Å; F73-L77 VanDerWaalsContact CE1-CD1 3.43Å; F73-L77 HydrophobicContact CE1-CG 4.48Å; F73-L77 HydrophobicContact CZ-CD1 4Å; F73-L77 WeakPolarHBondContact O-CG 3.44Å; F73-L77 PolarHBondContact O-N 2.92Å; F73-V345 HydrophobicContact CD2-CG1 4Å; F73-V345 HydrophobicContact CD2-CG2 4.23Å; F73-V345 HydrophobicContact CE2-CG1 4.01Å; F73-A348 HydrophobicContact CB-CB 4.07Å |
| 74 | A | 97.9 | Very high | 97 | Very high | 42 Ų | 42 | 24.4 Ų | 24.4 | 35% | 0.347 | 13% | 0.127 | S | C | . | . | H | α-helix | trans | -61.6 | -45.8 | 178 | 0 | 0 | 0 | 0 | 0 | 112.2 | L70 Y71 L77 L78 | L70-A74 PolarHBondContact O-N 3Å; Y71-A74 PolarHBondContact O-N 3.43Å; A74-L77 PolarHBondContact O-N 2.69Å; A74-L78 HydrophobicContact CB-CD1 4.46Å; A74-L78 VanDerWaalsContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 2.74Å |
| 75 | T | 97.4 | Very high | 97 | Very high | 2 Ų | 2 | 24.4 Ų | 24.4 | 1% | 0.012 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -70.4 | -36.8 | -176.2 | 62.2 | 0 | 0 | 0 | 0 | 111.9 | Y71 N72 L77 L78 F79 M83 V85 M311 H325 | Y71-T75 WeakPolarHBondContact O-CB 3.41Å; Y71-T75 WeakPolarHBondContact O-CG2 3.29Å; Y71-T75 PolarHBondContact O-N 3.47Å; Y71-T75 PolarHBondContact O-OG1 3.35Å; Y71-T75 VanDerWaalsContact O-OG1 3.09Å; N72-T75 WeakPolarHBondContact CA-OG1 3.19Å; N72-T75 PolarHBondContact O-OG1 2.88Å; T75-L77 VanDerWaalsContact C-N 3.32Å; T75-L77 PolarHBondContact O-N 3.26Å; T75-L78 PolarHBondContact O-N 3.22Å; T75-F79 HydrophobicContact CG2-CD2 4.39Å; T75-F79 HydrophobicContact CG2-CE2 4.19Å; T75-F79 WeakPolarHBondContact O-CB 3.49Å; T75-F79 WeakPolarHBondContact O-CD2 3.35Å; T75-F79 PolarHBondContact O-N 2.88Å; T75-M83 PolarHBondContact OG1-O 3.35Å; T75-V85 HydrophobicContact CG2-CG2 4.3Å; T75-M311 HydrophobicContact CG2-SD 4.49Å; T75-H325 VanDerWaalsContact CG2-CE1 3.48Å; T75-H325 WeakPolarHBondContact CG2-CE1 3.31Å |
| 76 | G | 96.4 | Very high | 97 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -59.1 | -42.9 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | N72 G80 G341 | N72-G76 PolarHBondContact O-N 2.9Å; G76-G80 WeakPolarHBondContact O-CA 3.35Å; G76-G80 PolarHBondContact O-N 3.34Å; G76-G80 VanDerWaalsContact O-N 3.17Å; G76-G341 WeakPolarHBondContact O-CA 3.41Å |
| 77 | L | 95.5 | Very high | 96.9 | Very high | 55 Ų | 55 | 23.5 Ų | 23.5 | 29% | 0.288 | 12% | 0.122 | S | C | . | . | H | α-helix | trans | -72.1 | -41.7 | 177.7 | -67.3 | 176 | 0 | 0 | 0 | 113 | P23 T25 I26 F73 A74 T75 | P23-L77 HydrophobicContact CG-CD2 4.16Å; T25-L77 WeakPolarHBondContact CB-O 3.41Å; T25-L77 WeakPolarHBondContact CG2-O 3.14Å; T25-L77 PolarHBondContact OG1-O 2.96Å; I26-L77 HydrophobicContact CD1-CD2 4.18Å; I26-L77 HydrophobicContact CG2-CD2 3.83Å; F73-L77 HydrophobicContact CD1-CD1 3.79Å; F73-L77 HydrophobicContact CE1-CD1 3.43Å; F73-L77 VanDerWaalsContact CE1-CD1 3.43Å; F73-L77 HydrophobicContact CE1-CG 4.48Å; F73-L77 HydrophobicContact CZ-CD1 4Å; F73-L77 WeakPolarHBondContact O-CG 3.44Å; F73-L77 PolarHBondContact O-N 2.92Å; A74-L77 PolarHBondContact O-N 2.69Å; T75-L77 VanDerWaalsContact C-N 3.32Å; T75-L77 PolarHBondContact O-N 3.26Å |
| 78 | L | 94.6 | Very high | 96.8 | Very high | 130 Ų | 130 | 22.7 Ų | 22.7 | 68% | 0.681 | 12% | 0.119 | S | C | * | . | H | α-helix | trans | -77.8 | -41.1 | -172.9 | -70.9 | 171.3 | 0 | 0 | 0 | 113.4 | A74 T75 | A74-L78 HydrophobicContact CB-CD1 4.46Å; A74-L78 VanDerWaalsContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CB 3.29Å; A74-L78 WeakPolarHBondContact O-CG 3.47Å; A74-L78 PolarHBondContact O-N 2.74Å; T75-L78 PolarHBondContact O-N 3.22Å |
| 79 | F | 95.3 | Very high | 96.5 | Very high | 30 Ų | 30 | 24.5 Ų | 24.5 | 13% | 0.132 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -98.4 | -25.1 | -176.6 | -61 | -68.6 | 0 | 0 | 0 | 112.9 | T75 I81 M83 L299 V304 | T75-F79 HydrophobicContact CG2-CD2 4.39Å; T75-F79 HydrophobicContact CG2-CE2 4.19Å; T75-F79 WeakPolarHBondContact O-CB 3.49Å; T75-F79 WeakPolarHBondContact O-CD2 3.35Å; T75-F79 PolarHBondContact O-N 2.88Å; F79-I81 HydrophobicContact CB-CG1 4.02Å; F79-I81 PolarHBondContact O-N 3.43Å; F79-I81 VanDerWaalsContact O-N 3.14Å; F79-M83 HydrophobicContact CB-CB 4.34Å; F79-M83 HydrophobicContact CD2-CB 4.06Å; F79-M83 HydrophobicContact CD2-CG 3.71Å; F79-M83 HydrophobicContact CE2-CE 4.36Å; F79-M83 HydrophobicContact CE2-CG 4.15Å; F79-M83 HydrophobicContact CG-CG 4.36Å; F79-L299 HydrophobicContact CB-CD2 4.47Å; F79-L299 HydrophobicContact CD1-CD2 4.02Å; F79-V304 HydrophobicContact CE1-CG2 3.81Å; F79-V304 HydrophobicContact CZ-CG2 4.14Å |
| 80 | G | 92.3 | Very high | 96.2 | Very high | 0 Ų | 0 | 25.7 Ų | 25.7 | 0% | 0 | 14% | 0.135 | C | C | . | . | trans | 65.9 | 12 | 178.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | T25 G76 R296 T340 G341 | T25-G80 VanDerWaalsContact O-CA 3.31Å; T25-G80 WeakPolarHBondContact O-CA 3.49Å; G76-G80 WeakPolarHBondContact O-CA 3.35Å; G76-G80 PolarHBondContact O-N 3.34Å; G76-G80 VanDerWaalsContact O-N 3.17Å; G80-R296 PolarHBondContact O-NH1 3.43Å; G80-R296 PolarHBondContact O-NH2 3.38Å; G80-T340 WeakPolarHBondContact O-CA 3.23Å; G80-G341 VanDerWaalsContact C-N 3.3Å; G80-G341 PolarHBondContact O-N 3.49Å; G80-G341 VanDerWaalsContact O-N 3.13Å | ||
| 81 | I | 95 | Very high | 96 | Very high | 2 Ų | 2 | 21.3 Ų | 21.3 | 1% | 0.01 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -117.2 | 165.8 | 171.3 | 66.2 | 169.1 | 0 | 0 | 0 | 108.3 | F79 M83 S289 F293 L299 L330 | F79-I81 HydrophobicContact CB-CG1 4.02Å; F79-I81 PolarHBondContact O-N 3.43Å; F79-I81 VanDerWaalsContact O-N 3.14Å; I81-M83 HydrophobicContact CD1-SD 4.5Å; I81-M83 HydrophobicContact CG1-CB 4.13Å; I81-M83 PolarHBondContact O-N 3.47Å; I81-S289 VanDerWaalsContact CD1-OG 3.22Å; I81-S289 WeakPolarHBondContact CD1-OG 3.3Å; I81-F293 HydrophobicContact CB-CD2 4.33Å; I81-F293 HydrophobicContact CB-CE2 4.17Å; I81-F293 HydrophobicContact CG2-CD2 3.99Å; I81-F293 HydrophobicContact CG2-CE2 4.31Å; I81-F293 HydrophobicContact CG2-CG 4.22Å; I81-L299 HydrophobicContact CD1-CD1 3.62Å; I81-L299 HydrophobicContact CD1-CD2 4.38Å; I81-L299 HydrophobicContact CD1-CG 4.35Å; I81-L330 HydrophobicContact CD1-CD1 4.36Å |
| 82 | P | 96.1 | Very high | 95.7 | Very high | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 11% | 0.109 | C | C | . | . | trans | -69 | 77.2 | 172.5 | 31 | -38.5 | 0 | 0 | 0 | 110.3 | P84 F293 L330 Q333 V344 | P82-P84 VanDerWaalsContact O-CD 3.24Å; P82-P84 WeakPolarHBondContact O-CD 3.48Å; P82-F293 HydrophobicContact CG-CE2 4.38Å; P82-F293 HydrophobicContact CG-CZ 3.8Å; P82-L330 HydrophobicContact CG-CD1 4.14Å; P82-L330 WeakPolarHBondContact O-CD1 3.3Å; P82-Q333 HydrophobicContact CB-CB 3.91Å; P82-Q333 VanDerWaalsContact CB-OE1 3.32Å; P82-Q333 HydrophobicContact CG-CB 4.43Å; P82-Q333 PolarHBondContact O-OE1 3.37Å; P82-V344 HydrophobicContact CB-CG1 4.44Å | ||
| 83 | M | 97.4 | Very high | 95.3 | Very high | 0 Ų | 0 | 23.5 Ų | 23.5 | 0% | 0 | 13% | 0.133 | C | C | . | . | trans | -88 | 102.4 | -175.6 | -174.5 | 61.2 | 155 | 0 | 0 | 110 | T75 F79 I81 V285 V304 H325 | T75-M83 PolarHBondContact OG1-O 3.35Å; F79-M83 HydrophobicContact CB-CB 4.34Å; F79-M83 HydrophobicContact CD2-CB 4.06Å; F79-M83 HydrophobicContact CD2-CG 3.71Å; F79-M83 HydrophobicContact CE2-CE 4.36Å; F79-M83 HydrophobicContact CE2-CG 4.15Å; F79-M83 HydrophobicContact CG-CG 4.36Å; I81-M83 HydrophobicContact CD1-SD 4.5Å; I81-M83 HydrophobicContact CG1-CB 4.13Å; I81-M83 PolarHBondContact O-N 3.47Å; M83-V285 HydrophobicContact CE-CG1 3.51Å; M83-V285 HydrophobicContact SD-CG1 3.69Å; M83-V304 HydrophobicContact CE-CG1 3.73Å; M83-V304 HydrophobicContact CE-CG2 4.09Å; M83-H325 HydrophobicContact CE-CB 3.53Å; M83-H325 WeakPolarHBondContact CE-CD2 3.46Å; M83-H325 HydrophobicContact SD-CB 4.12Å | ||
| 84 | P | 97.3 | Very high | 95 | Very high | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 12% | 0.121 | C | C | . | . | trans | -70.5 | 157.4 | -170.5 | 33.7 | -41.6 | 0 | 0 | 0 | 112 | D42 P82 Q86 H325 G326 L330 | D42-P84 HydrophobicContact CB-CB 4.25Å; P82-P84 VanDerWaalsContact O-CD 3.24Å; P82-P84 WeakPolarHBondContact O-CD 3.48Å; P84-Q86 HydrophobicContact CB-CG 4.27Å; P84-H325 PolarHBondContact O-ND1 3.17Å; P84-G326 VanDerWaalsContact CG-O 3.32Å; P84-G326 WeakPolarHBondContact CG-O 3.36Å; P84-L330 HydrophobicContact CG-CB 4.27Å | ||
| 85 | V | 98.2 | Very high | 94.7 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | -125.6 | 111.4 | 172 | 176.4 | 0 | 0 | 0 | 0 | 108 | T68 Y71 N72 T75 M311 C323 | T68-V85 HydrophobicContact CG2-CG1 4.05Å; Y71-V85 HydrophobicContact CD2-CG1 3.96Å; Y71-V85 HydrophobicContact CG-CG1 4.5Å; N72-V85 WeakPolarHBondContact OD1-CG2 3.27Å; T75-V85 HydrophobicContact CG2-CG2 4.3Å; V85-M311 HydrophobicContact CG1-SD 4.13Å; V85-M311 HydrophobicContact CG2-SD 3.97Å; V85-C323 HydrophobicContact CG1-CB 3.78Å | ||
| 86 | Q | 96.7 | Very high | 94.2 | Very high | 3 Ų | 3 | 19 Ų | 19 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 148.5 | -170.6 | -59.2 | -175.6 | -22.2 | 0 | 0 | 111.7 | T45 P84 C323 C324 | T45-Q86 VanDerWaalsContact OG1-CD 3.26Å; T45-Q86 PolarHBondContact OG1-NE2 2.68Å; P84-Q86 HydrophobicContact CB-CG 4.27Å; Q86-C323 CarbonylContact O-C 3.49Å; Q86-C323 WeakPolarHBondContact O-CA 3.45Å; Q86-C323 WeakPolarHBondContact O-CB 3.36Å; Q86-C324 PolarHBondContact N-O 3.39Å; Q86-C324 PolarHBondContact O-N 3.27Å |
| 87 | P | 96.9 | Very high | 93.7 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 13% | 0.126 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -56.2 | 144.1 | 171 | -26.7 | 36.2 | 0 | 0 | 0 | 113.2 | Y46 I49 V50 K89 M321 P322 | Y46-P87 HydrophobicContact CD2-CG 4.28Å; Y46-P87 HydrophobicContact CE2-CG 4.47Å; I49-P87 HydrophobicContact CB-CB 4.12Å; I49-P87 HydrophobicContact CB-CG 4.14Å; I49-P87 HydrophobicContact CD1-CB 4.31Å; I49-P87 HydrophobicContact CG2-CB 3.53Å; I49-P87 HydrophobicContact CG2-CG 4.01Å; V50-P87 HydrophobicContact CG1-CG 3.57Å; P87-K89 PolarHBondContact O-N 2.88Å; P87-K89 VanDerWaalsContact O-N 3.16Å; P87-M321 HydrophobicContact CB-CE 3.91Å; P87-M321 HydrophobicContact CB-CG 3.75Å; P87-M321 HydrophobicContact CG-CG 4.17Å; P87-P322 CarbonylContact C-O 3.46Å; P87-P322 WeakPolarHBondContact CA-O 3.47Å |
| 88 | M | 96.2 | Very high | 92.4 | Very high | 0 Ų | 0 | 24.3 Ų | 24.3 | 0% | 0 | 15% | 0.151 | C | C | . | . | trans | -68.4 | 108.7 | 173.7 | -76.4 | -167.4 | -172.4 | 0 | 0 | 111 | S90 I91 A92 V113 Q273 V308 N312 P322 C323 C324 | M88-S90 PolarHBondContact O-N 2.92Å; M88-I91 HydrophobicContact CB-CB 4.21Å; M88-I91 HydrophobicContact CB-CD1 4.11Å; M88-I91 HydrophobicContact CB-CG1 4.35Å; M88-I91 PolarHBondContact O-N 3.48Å; M88-I91 HydrophobicContact SD-CD1 3.66Å; M88-A92 WeakPolarHBondContact O-CB 3.45Å; M88-A92 PolarHBondContact O-N 3.28Å; M88-V113 HydrophobicContact CE-CB 4.28Å; M88-V113 HydrophobicContact CE-CG1 3.65Å; M88-V113 HydrophobicContact SD-CB 4.36Å; M88-V113 HydrophobicContact SD-CG1 4.06Å; M88-V113 HydrophobicContact SD-CG2 4.46Å; M88-Q273 HydrophobicContact CB-CG 4.17Å; M88-Q273 HydrophobicContact CG-CG 4.23Å; M88-Q273 HydrophobicContact SD-CG 3.58Å; M88-Q273 VanDerWaalsContact SD-CG 3.58Å; M88-V308 HydrophobicContact CE-CG1 4.05Å; M88-N312 WeakPolarHBondContact CE-ND2 3.46Å; M88-P322 HydrophobicContact CB-CB 4.35Å; M88-P322 HydrophobicContact CG-CB 4.22Å; M88-P322 PolarHBondContact N-O 3.43Å; M88-P322 HydrophobicContact SD-CB 4Å; M88-C323 WeakPolarHBondContact CE-O 3.31Å; M88-C324 HydrophobicContact CE-CB 4.31Å; M88-C324 HydrophobicContact CG-CB 4.14Å | ||
| 89 | K | 91.8 | Very high | 91.3 | Very high | 38 Ų | 38 | 20.4 Ų | 20.4 | 17% | 0.165 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -62.6 | -40.5 | -170.7 | -61.1 | 178.6 | -164.1 | 160.4 | 0 | 114.3 | I49 P87 A93 Q145 F149 L276 | I49-K89 HydrophobicContact CD1-CG 4.01Å; P87-K89 PolarHBondContact O-N 2.88Å; P87-K89 VanDerWaalsContact O-N 3.16Å; K89-A93 VanDerWaalsContact O-CB 3.22Å; K89-A93 WeakPolarHBondContact O-CB 3.39Å; K89-A93 PolarHBondContact O-N 3.41Å; K89-Q145 VanDerWaalsContact NZ-NE2 3.15Å; K89-F149 HydrophobicContact CD-CE1 4.18Å; K89-F149 HydrophobicContact CD-CZ 4.5Å; K89-F149 VanDerWaalsContact CE-CE1 3.49Å; K89-L276 HydrophobicContact CB-CD2 4.19Å |
| 90 | S | 92 | Very high | 90.7 | Very high | 26 Ų | 26 | 23.8 Ų | 23.8 | 18% | 0.182 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.1 | -43.4 | -178.1 | -164.6 | 0 | 0 | 0 | 0 | 110.6 | M88 A92 A93 V94 P272 | M88-S90 PolarHBondContact O-N 2.92Å; S90-A92 VanDerWaalsContact C-N 3.32Å; S90-A92 PolarHBondContact O-N 2.98Å; S90-A93 PolarHBondContact O-N 3.17Å; S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 2.81Å; S90-P272 WeakPolarHBondContact OG-CB 3.44Å |
| 91 | I | 94.6 | Very high | 90.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -59.6 | -46.8 | 174.5 | -66.7 | 175.9 | 0 | 0 | 0 | 109.9 | M88 A93 V94 A95 I106 A109 V113 Q273 P322 | M88-I91 HydrophobicContact CB-CB 4.21Å; M88-I91 HydrophobicContact CB-CD1 4.11Å; M88-I91 HydrophobicContact CB-CG1 4.35Å; M88-I91 PolarHBondContact O-N 3.48Å; M88-I91 HydrophobicContact SD-CD1 3.66Å; I91-A93 PolarHBondContact O-N 3.19Å; I91-V94 PolarHBondContact O-N 3.19Å; I91-A95 VanDerWaalsContact O-CB 3.27Å; I91-A95 WeakPolarHBondContact O-CB 3.41Å; I91-A95 PolarHBondContact O-N 3.01Å; I91-I106 HydrophobicContact CG2-CB 4.47Å; I91-I106 HydrophobicContact CG2-CG2 3.78Å; I91-A109 HydrophobicContact CD1-CB 3.73Å; I91-A109 HydrophobicContact CG1-CB 4.1Å; I91-A109 HydrophobicContact CG2-CB 4.36Å; I91-V113 HydrophobicContact CD1-CG2 4.49Å; I91-Q273 HydrophobicContact CD1-CB 4.25Å; I91-Q273 HydrophobicContact CD1-CG 3.98Å; I91-Q273 HydrophobicContact CG1-CB 3.85Å; I91-Q273 HydrophobicContact CG1-CG 3.92Å; I91-P322 HydrophobicContact CD1-CB 4.21Å; I91-P322 HydrophobicContact CD1-CG 4.47Å |
| 92 | A | 92.8 | Very high | 90.5 | Very high | 3 Ų | 3 | 26.9 Ų | 26.9 | 3% | 0.025 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.5 | I49 L53 M88 S90 V94 A95 L96 M321 | I49-A92 HydrophobicContact CG2-CB 3.46Å; I49-A92 VanDerWaalsContact CG2-CB 3.46Å; L53-A92 HydrophobicContact CD1-CB 3.87Å; M88-A92 WeakPolarHBondContact O-CB 3.45Å; M88-A92 PolarHBondContact O-N 3.28Å; S90-A92 VanDerWaalsContact C-N 3.32Å; S90-A92 PolarHBondContact O-N 2.98Å; A92-V94 PolarHBondContact O-N 2.71Å; A92-A95 PolarHBondContact O-N 3.21Å; A92-L96 WeakPolarHBondContact O-CB 3.29Å; A92-L96 VanDerWaalsContact O-CG 3.29Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 2.86Å; A92-M321 HydrophobicContact CB-CE 3.89Å |
| 93 | A | 90 | Very high | 90.5 | Very high | 61 Ų | 61 | 28.6 Ų | 28.6 | 50% | 0.504 | 18% | 0.181 | S | C | . | . | H | α-helix | trans | -63.2 | -42.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | K89 S90 I91 L96 S97 | K89-A93 VanDerWaalsContact O-CB 3.22Å; K89-A93 WeakPolarHBondContact O-CB 3.39Å; K89-A93 PolarHBondContact O-N 3.41Å; S90-A93 PolarHBondContact O-N 3.17Å; I91-A93 PolarHBondContact O-N 3.19Å; A93-L96 PolarHBondContact O-N 3.45Å; A93-S97 VanDerWaalsContact O-CB 3.3Å; A93-S97 WeakPolarHBondContact O-CB 3.16Å; A93-S97 PolarHBondContact O-N 3.25Å |
| 94 | V | 90.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 30 Ų | 30 | 18% | 0.176 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.4 | -41.8 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 110.7 | S90 I91 A92 L96 S97 A99 L101 E268 | S90-V94 WeakPolarHBondContact O-CG2 3.42Å; S90-V94 PolarHBondContact O-N 2.81Å; I91-V94 PolarHBondContact O-N 3.19Å; A92-V94 PolarHBondContact O-N 2.71Å; V94-L96 VanDerWaalsContact C-N 3.28Å; V94-L96 PolarHBondContact O-N 2.93Å; V94-S97 WeakPolarHBondContact O-CB 3.28Å; V94-S97 PolarHBondContact O-N 3.49Å; V94-S97 VanDerWaalsContact O-N 3.09Å; V94-S97 PolarHBondContact O-OG 3.25Å; V94-A99 HydrophobicContact CG1-CB 4.2Å; V94-L101 HydrophobicContact CB-CD1 4.23Å; V94-L101 HydrophobicContact CG1-CD1 3.71Å; V94-L101 HydrophobicContact CG1-CG 3.98Å; V94-E268 HydrophobicContact CG1-CB 4.36Å |
| 95 | A | 91.5 | Very high | 90.5 | Very high | 0 Ų | 0 | 31.3 Ų | 31.3 | 0% | 0 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -60.8 | -34.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.5 | L53 I91 A92 L101 I106 | L53-A95 HydrophobicContact CD2-CB 3.77Å; I91-A95 VanDerWaalsContact O-CB 3.27Å; I91-A95 WeakPolarHBondContact O-CB 3.41Å; I91-A95 PolarHBondContact O-N 3.01Å; A92-A95 PolarHBondContact O-N 3.21Å; A95-L101 HydrophobicContact CB-CB 4.12Å; A95-I106 HydrophobicContact CB-CD1 3.56Å; A95-I106 HydrophobicContact CB-CG1 3.89Å |
| 96 | L | 87.5 | Confident | 90.5 | Very high | 22 Ų | 22 | 31.3 Ų | 31.3 | 12% | 0.115 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -88.7 | -9.9 | 176.6 | -66 | 170.6 | 0 | 0 | 0 | 113.2 | A52 L53 A56 A92 A93 V94 S166 | A52-L96 HydrophobicContact CB-CD1 3.66Å; A52-L96 HydrophobicContact CB-CD2 4.15Å; L53-L96 HydrophobicContact CD2-CD1 4.28Å; L53-L96 HydrophobicContact CD2-CD2 3.89Å; L53-L96 HydrophobicContact CD2-CG 3.76Å; L53-L96 HydrophobicContact CG-CD1 4.36Å; L53-L96 HydrophobicContact CG-CD2 4.42Å; L53-L96 HydrophobicContact CG-CG 4.35Å; A56-L96 HydrophobicContact CB-CD2 3.69Å; A92-L96 WeakPolarHBondContact O-CB 3.29Å; A92-L96 VanDerWaalsContact O-CG 3.29Å; A92-L96 WeakPolarHBondContact O-CG 3.4Å; A92-L96 PolarHBondContact O-N 2.86Å; A93-L96 PolarHBondContact O-N 3.45Å; V94-L96 VanDerWaalsContact C-N 3.28Å; V94-L96 PolarHBondContact O-N 2.93Å; L96-S166 CarbonylContact O-C 3.51Å |
| 97 | S | 84.8 | Confident | 90.5 | Very high | 50 Ų | 50 | 31.2 Ų | 31.2 | 35% | 0.35 | 20% | 0.196 | S | C | . | . | S | Bend | trans | -76.9 | 178.8 | 176.2 | 79.9 | 0 | 0 | 0 | 0 | 111.5 | A93 V94 A99 H100 | A93-S97 VanDerWaalsContact O-CB 3.3Å; A93-S97 WeakPolarHBondContact O-CB 3.16Å; A93-S97 PolarHBondContact O-N 3.25Å; V94-S97 WeakPolarHBondContact O-CB 3.28Å; V94-S97 PolarHBondContact O-N 3.49Å; V94-S97 VanDerWaalsContact O-N 3.09Å; V94-S97 PolarHBondContact O-OG 3.25Å; S97-A99 PolarHBondContact O-N 2.97Å; S97-A99 PolarHBondContact OG-N 3.39Å; S97-H100 PolarHBondContact O-N 3.08Å; S97-H100 PolarHBondContact O-ND1 3.49Å |
| 98 | S | 69 | Low | 90.6 | Very high | 116 Ų | 116 | 31.2 Ų | 31.2 | 81% | 0.811 | 20% | 0.196 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.7 | 176.2 | -53 | 0 | 0 | 0 | 0 | 114.5 | H100 | S98-H100 VanDerWaalsContact C-N 3.26Å; S98-H100 PolarHBondContact O-N 3.41Å; S98-H100 PolarHBondContact O-ND1 2.88Å |
| 99 | A | 71.9 | Confident | 90.7 | Very high | 49 Ų | 49 | 31.2 Ų | 31.2 | 41% | 0.405 | 20% | 0.196 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -65.2 | -26.8 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | V94 S97 L101 | V94-A99 HydrophobicContact CG1-CB 4.2Å; S97-A99 PolarHBondContact O-N 2.97Å; S97-A99 PolarHBondContact OG-N 3.39Å; A99-L101 PolarHBondContact O-N 3.3Å |
| 100 | H | 81.4 | Confident | 91 | Very high | 101 Ų | 101 | 29.4 Ų | 29.4 | 47% | 0.468 | 19% | 0.188 | S | C | . | . | trans | 43.2 | 63 | 178 | -62.3 | 96 | 0 | 0 | 0 | 113.8 | S97 S98 T102 S166 | S97-H100 PolarHBondContact O-N 3.08Å; S97-H100 PolarHBondContact O-ND1 3.49Å; S98-H100 VanDerWaalsContact C-N 3.26Å; S98-H100 PolarHBondContact O-N 3.41Å; S98-H100 PolarHBondContact O-ND1 2.88Å; H100-T102 PolarHBondContact O-N 2.82Å; H100-S166 PolarHBondContact NE2-OG 3.37Å | ||
| 101 | L | 89.8 | Confident | 91.4 | Very high | 4 Ų | 4 | 28.7 Ų | 28.7 | 2% | 0.021 | 18% | 0.182 | C | C | . | . | trans | -58.1 | 134 | 178.3 | -61.9 | -178.2 | 0 | 0 | 0 | 111.4 | V94 A95 A99 Q105 I106 I264 E268 | V94-L101 HydrophobicContact CB-CD1 4.23Å; V94-L101 HydrophobicContact CG1-CD1 3.71Å; V94-L101 HydrophobicContact CG1-CG 3.98Å; A95-L101 HydrophobicContact CB-CB 4.12Å; A99-L101 PolarHBondContact O-N 3.3Å; L101-Q105 HydrophobicContact CB-CB 4.25Å; L101-Q105 HydrophobicContact CD2-CB 4.36Å; L101-I106 HydrophobicContact CB-CD1 4.48Å; L101-I106 HydrophobicContact CB-CG1 3.81Å; L101-I264 HydrophobicContact CD2-CG2 3.9Å; L101-E268 HydrophobicContact CD2-CB 4.21Å; L101-E268 WeakPolarHBondContact CD2-OE2 3.3Å | ||
| 102 | T | 94.3 | Very high | 91.6 | Very high | 62 Ų | 62 | 28.9 Ų | 28.9 | 38% | 0.38 | 18% | 0.184 | S | C | . | . | trans | -73.4 | 161.6 | 174.4 | 68.8 | 0 | 0 | 0 | 0 | 111.1 | H100 Q105 I106 | H100-T102 PolarHBondContact O-N 2.82Å; T102-Q105 WeakPolarHBondContact O-CB 3.43Å; T102-Q105 PolarHBondContact O-N 3.15Å; T102-Q105 VanDerWaalsContact OG1-CG 3.27Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.46Å; T102-Q105 PolarHBondContact OG1-N 2.85Å; T102-Q105 PolarHBondContact OG1-OE1 2.8Å; T102-I106 WeakPolarHBondContact O-CG1 3.22Å; T102-I106 PolarHBondContact O-N 2.93Å | ||
| 103 | I | 95.3 | Very high | 91.8 | Very high | 36 Ų | 36 | 28.8 Ų | 28.8 | 19% | 0.185 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -54.1 | -47.8 | 177.4 | -61.1 | -58.8 | 0 | 0 | 0 | 112.5 | S57 L59 Q105 I106 M107 | S57-I103 WeakPolarHBondContact O-CD1 3.35Å; L59-I103 HydrophobicContact CB-CD1 4.02Å; L59-I103 HydrophobicContact CD1-CD1 4.03Å; I103-Q105 VanDerWaalsContact C-N 3.29Å; I103-Q105 PolarHBondContact O-N 3.29Å; I103-I106 HydrophobicContact CD1-CD1 4.26Å; I103-I106 PolarHBondContact O-N 3.34Å; I103-M107 HydrophobicContact CG2-CE 4.22Å; I103-M107 HydrophobicContact CG2-CG 4.24Å; I103-M107 VanDerWaalsContact O-CG 3.29Å; I103-M107 WeakPolarHBondContact O-CG 3.41Å; I103-M107 PolarHBondContact O-N 2.93Å |
| 104 | P | 97.5 | Very high | 92.2 | Very high | 31 Ų | 31 | 25.9 Ų | 25.9 | 20% | 0.201 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -56.9 | -39.3 | 174.5 | -26.7 | 35.8 | 0 | 0 | 0 | 113.9 | M107 S108 V255 I257 D261 | P104-M107 PolarHBondContact O-N 3.33Å; P104-S108 WeakPolarHBondContact O-CB 3.39Å; P104-S108 PolarHBondContact O-N 3.49Å; P104-S108 PolarHBondContact O-OG 3.03Å; P104-V255 HydrophobicContact CB-CG1 4.15Å; P104-V255 HydrophobicContact CG-CG1 4.01Å; P104-I257 HydrophobicContact CB-CG1 4.42Å; P104-D261 HydrophobicContact CB-CB 4.06Å |
| 105 | Q | 97.6 | Very high | 92.6 | Very high | 26 Ų | 26 | 27 Ų | 27 | 12% | 0.121 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -67.6 | -42.9 | 177.6 | -68.2 | 163.1 | -1.3 | 0 | 0 | 111.5 | L101 T102 I103 M107 S108 A109 D261 I264 G265 | L101-Q105 HydrophobicContact CB-CB 4.25Å; L101-Q105 HydrophobicContact CD2-CB 4.36Å; T102-Q105 WeakPolarHBondContact O-CB 3.43Å; T102-Q105 PolarHBondContact O-N 3.15Å; T102-Q105 VanDerWaalsContact OG1-CG 3.27Å; T102-Q105 WeakPolarHBondContact OG1-CG 3.46Å; T102-Q105 PolarHBondContact OG1-N 2.85Å; T102-Q105 PolarHBondContact OG1-OE1 2.8Å; I103-Q105 VanDerWaalsContact C-N 3.29Å; I103-Q105 PolarHBondContact O-N 3.29Å; Q105-M107 PolarHBondContact O-N 2.88Å; Q105-S108 WeakPolarHBondContact CA-OG 3.25Å; Q105-S108 PolarHBondContact O-N 3.45Å; Q105-S108 PolarHBondContact O-OG 2.9Å; Q105-A109 WeakPolarHBondContact O-CB 3.26Å; Q105-A109 PolarHBondContact O-N 3.37Å; Q105-D261 HydrophobicContact CG-CB 4.09Å; Q105-I264 HydrophobicContact CB-CG2 4.47Å; Q105-I264 HydrophobicContact CG-CB 4.18Å; Q105-I264 HydrophobicContact CG-CG2 4.02Å; Q105-G265 WeakPolarHBondContact O-CA 3.28Å |
| 106 | I | 97.5 | Very high | 93 | Very high | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -60.2 | -45.8 | 173.7 | -64.2 | 170.8 | 0 | 0 | 0 | 110.6 | I91 A95 L101 T102 I103 A109 G110 M321 P322 | I91-I106 HydrophobicContact CG2-CB 4.47Å; I91-I106 HydrophobicContact CG2-CG2 3.78Å; A95-I106 HydrophobicContact CB-CD1 3.56Å; A95-I106 HydrophobicContact CB-CG1 3.89Å; L101-I106 HydrophobicContact CB-CD1 4.48Å; L101-I106 HydrophobicContact CB-CG1 3.81Å; T102-I106 WeakPolarHBondContact O-CG1 3.22Å; T102-I106 PolarHBondContact O-N 2.93Å; I103-I106 HydrophobicContact CD1-CD1 4.26Å; I103-I106 PolarHBondContact O-N 3.34Å; I106-A109 WeakPolarHBondContact O-CB 3.3Å; I106-A109 PolarHBondContact O-N 3.21Å; I106-G110 PolarHBondContact O-N 3.47Å; I106-M321 HydrophobicContact CG2-SD 4.35Å; I106-P322 HydrophobicContact CG2-CG 4.02Å; I106-P322 WeakPolarHBondContact O-CG 3.23Å |
| 107 | M | 98.2 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -42.5 | 178.5 | -66.9 | -47.3 | 118.4 | 0 | 0 | 111.7 | L59 I103 P104 Q105 A109 G110 L111 V255 I257 C316 G319 | L59-M107 HydrophobicContact CD1-CE 4.07Å; I103-M107 HydrophobicContact CG2-CE 4.22Å; I103-M107 HydrophobicContact CG2-CG 4.24Å; I103-M107 VanDerWaalsContact O-CG 3.29Å; I103-M107 WeakPolarHBondContact O-CG 3.41Å; I103-M107 PolarHBondContact O-N 2.93Å; P104-M107 PolarHBondContact O-N 3.33Å; Q105-M107 PolarHBondContact O-N 2.88Å; M107-A109 VanDerWaalsContact C-N 3.34Å; M107-A109 PolarHBondContact O-N 3.37Å; M107-G110 WeakPolarHBondContact O-CA 3.38Å; M107-G110 PolarHBondContact O-N 3.04Å; M107-L111 WeakPolarHBondContact O-CG 3.25Å; M107-L111 PolarHBondContact O-N 3.41Å; M107-V255 HydrophobicContact CG-CG1 4.31Å; M107-V255 HydrophobicContact CG-CG2 4.24Å; M107-I257 HydrophobicContact CB-CD1 3.99Å; M107-C316 HydrophobicContact CB-CB 4.22Å; M107-C316 WeakPolarHBondContact CB-O 3.27Å; M107-C316 WeakPolarHBondContact CG-O 3.33Å; M107-C316 HydrophobicContact SD-CB 3.96Å; M107-C316 VanDerWaalsContact SD-O 3.36Å; M107-G319 VanDerWaalsContact SD-C 3.6Å; M107-G319 VanDerWaalsContact SD-CA 3.56Å |
| 108 | S | 98.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 27.6 Ų | 27.6 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -66 | -36.1 | 177.8 | 74.8 | 0 | 0 | 0 | 0 | 112.7 | P104 Q105 G110 L111 A112 D261 G265 | P104-S108 WeakPolarHBondContact O-CB 3.39Å; P104-S108 PolarHBondContact O-N 3.49Å; P104-S108 PolarHBondContact O-OG 3.03Å; Q105-S108 WeakPolarHBondContact CA-OG 3.25Å; Q105-S108 PolarHBondContact O-N 3.45Å; Q105-S108 PolarHBondContact O-OG 2.9Å; S108-G110 VanDerWaalsContact C-N 3.34Å; S108-G110 PolarHBondContact O-N 3.45Å; S108-L111 PolarHBondContact O-N 3.15Å; S108-A112 WeakPolarHBondContact O-CB 3.41Å; S108-A112 PolarHBondContact O-N 2.66Å; S108-D261 PolarHBondContact OG-O 2.68Å; S108-G265 WeakPolarHBondContact OG-CA 3.18Å |
| 109 | A | 98.4 | Very high | 95.6 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -59.9 | -45.4 | 170.4 | 0 | 0 | 0 | 0 | 0 | 111.2 | I91 Q105 I106 M107 A112 V113 G265 | I91-A109 HydrophobicContact CD1-CB 3.73Å; I91-A109 HydrophobicContact CG1-CB 4.1Å; I91-A109 HydrophobicContact CG2-CB 4.36Å; Q105-A109 WeakPolarHBondContact O-CB 3.26Å; Q105-A109 PolarHBondContact O-N 3.37Å; I106-A109 WeakPolarHBondContact O-CB 3.3Å; I106-A109 PolarHBondContact O-N 3.21Å; M107-A109 VanDerWaalsContact C-N 3.34Å; M107-A109 PolarHBondContact O-N 3.37Å; A109-A112 PolarHBondContact O-N 3.09Å; A109-V113 WeakPolarHBondContact O-CG2 3.01Å; A109-V113 PolarHBondContact O-N 3.2Å; A109-G265 WeakPolarHBondContact CA-O 3.15Å; A109-G265 WeakPolarHBondContact CB-O 3.31Å |
| 110 | G | 98.7 | Very high | 96.8 | Very high | 0 Ų | 0 | 26.9 Ų | 26.9 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -59.2 | -46.3 | 174.4 | 0 | 0 | 0 | 0 | 0 | 113 | I106 M107 S108 V113 A114 | I106-G110 PolarHBondContact O-N 3.47Å; M107-G110 WeakPolarHBondContact O-CA 3.38Å; M107-G110 PolarHBondContact O-N 3.04Å; S108-G110 VanDerWaalsContact C-N 3.34Å; S108-G110 PolarHBondContact O-N 3.45Å; G110-V113 PolarHBondContact O-N 2.95Å; G110-A114 VanDerWaalsContact O-CB 3.31Å; G110-A114 WeakPolarHBondContact O-CB 3.34Å; G110-A114 PolarHBondContact O-N 3.28Å |
| 111 | L | 98.8 | Very high | 97.6 | Very high | 12 Ų | 12 | 22.3 Ų | 22.3 | 6% | 0.063 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -64.6 | -38.7 | 177.4 | -71.2 | 171.5 | 0 | 0 | 0 | 112.7 | M107 S108 A114 A115 I257 F313 C316 W317 | M107-L111 WeakPolarHBondContact O-CG 3.25Å; M107-L111 PolarHBondContact O-N 3.41Å; S108-L111 PolarHBondContact O-N 3.15Å; L111-A114 VanDerWaalsContact O-CB 3.29Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 3.4Å; L111-A115 PolarHBondContact O-N 3.35Å; L111-I257 HydrophobicContact CD1-CD1 3.66Å; L111-F313 HydrophobicContact CD2-CD2 4.39Å; L111-C316 HydrophobicContact CD2-CB 3.91Å; L111-C316 HydrophobicContact CG-CB 3.79Å; L111-W317 HydrophobicContact CD1-CD2 4.19Å; L111-W317 HydrophobicContact CD1-CE3 4.15Å; L111-W317 HydrophobicContact CD1-CH2 3.78Å; L111-W317 HydrophobicContact CD1-CZ2 3.81Å; L111-W317 HydrophobicContact CD1-CZ3 3.95Å; L111-W317 HydrophobicContact CD2-CD2 4.39Å; L111-W317 HydrophobicContact CD2-CZ2 3.95Å |
| 112 | A | 98.7 | Very high | 98.1 | Very high | 4 Ų | 4 | 27.7 Ų | 27.7 | 3% | 0.033 | 16% | 0.157 | C | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | S108 A109 A114 A115 I116 F262 F266 A270 | S108-A112 WeakPolarHBondContact O-CB 3.41Å; S108-A112 PolarHBondContact O-N 2.66Å; A109-A112 PolarHBondContact O-N 3.09Å; A112-A114 VanDerWaalsContact C-N 3.27Å; A112-A114 PolarHBondContact O-N 3.34Å; A112-A115 PolarHBondContact O-N 2.92Å; A112-I116 WeakPolarHBondContact O-CG1 3.37Å; A112-I116 PolarHBondContact O-N 2.94Å; A112-F262 HydrophobicContact CB-CZ 4.31Å; A112-F266 HydrophobicContact CB-CD2 3.79Å; A112-A270 HydrophobicContact CB-CB 3.64Å |
| 113 | V | 98.5 | Very high | 98.3 | Very high | 0 Ų | 0 | 28.4 Ų | 28.4 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -60.4 | -40.5 | 172.8 | 175.2 | 0 | 0 | 0 | 0 | 110.5 | M88 I91 A109 G110 I116 L117 A270 Q273 L274 | M88-V113 HydrophobicContact CE-CB 4.28Å; M88-V113 HydrophobicContact CE-CG1 3.65Å; M88-V113 HydrophobicContact SD-CB 4.36Å; M88-V113 HydrophobicContact SD-CG1 4.06Å; M88-V113 HydrophobicContact SD-CG2 4.46Å; I91-V113 HydrophobicContact CD1-CG2 4.49Å; A109-V113 WeakPolarHBondContact O-CG2 3.01Å; A109-V113 PolarHBondContact O-N 3.2Å; G110-V113 PolarHBondContact O-N 2.95Å; V113-I116 PolarHBondContact O-N 3.01Å; V113-L117 HydrophobicContact CG1-CD1 3.68Å; V113-L117 HydrophobicContact CG1-CG 4.11Å; V113-L117 WeakPolarHBondContact O-CB 3.29Å; V113-L117 WeakPolarHBondContact O-CG 3.3Å; V113-L117 PolarHBondContact O-N 3.5Å; V113-A270 HydrophobicContact CG2-CB 3.77Å; V113-Q273 HydrophobicContact CG2-CB 4.17Å; V113-Q273 HydrophobicContact CG2-CG 4.06Å; V113-L274 HydrophobicContact CG1-CD2 4.34Å; V113-L274 HydrophobicContact CG2-CD2 4.28Å; V113-L274 HydrophobicContact CG2-CG 4.41Å |
| 114 | A | 98.7 | Very high | 98.3 | Very high | 0 Ų | 0 | 27.8 Ų | 27.8 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -57.3 | -52.5 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | G110 L111 A112 I116 L117 L118 G309 N312 F313 | G110-A114 VanDerWaalsContact O-CB 3.31Å; G110-A114 WeakPolarHBondContact O-CB 3.34Å; G110-A114 PolarHBondContact O-N 3.28Å; L111-A114 VanDerWaalsContact O-CB 3.29Å; L111-A114 WeakPolarHBondContact O-CB 3.27Å; L111-A114 PolarHBondContact O-N 3.4Å; A112-A114 VanDerWaalsContact C-N 3.27Å; A112-A114 PolarHBondContact O-N 3.34Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 3.13Å; A114-L117 PolarHBondContact O-N 3.46Å; A114-L118 WeakPolarHBondContact O-CB 3.22Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.31Å; A114-L118 PolarHBondContact O-N 2.94Å; A114-G309 WeakPolarHBondContact CB-O 3.27Å; A114-N312 HydrophobicContact CB-CB 3.69Å; A114-F313 HydrophobicContact CB-CB 4.23Å |
| 115 | A | 98.7 | Very high | 98.4 | Very high | 54 Ų | 54 | 29.9 Ų | 29.9 | 45% | 0.446 | 17% | 0.173 | S | C | . | . | H | α-helix | trans | -58.7 | -43.7 | -179 | 0 | 0 | 0 | 0 | 0 | 111.7 | L111 A112 F119 | L111-A115 PolarHBondContact O-N 3.35Å; A112-A115 PolarHBondContact O-N 2.92Å; A115-F119 WeakPolarHBondContact O-CB 3.15Å; A115-F119 PolarHBondContact O-N 2.92Å |
| 116 | I | 98.7 | Very high | 98.4 | Very high | 50 Ų | 50 | 28.7 Ų | 28.7 | 26% | 0.256 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -68.6 | -45.8 | -179.9 | -66 | 167.6 | 0 | 0 | 0 | 111 | A112 V113 A114 L118 F119 L120 F266 L274 | A112-I116 WeakPolarHBondContact O-CG1 3.37Å; A112-I116 PolarHBondContact O-N 2.94Å; V113-I116 PolarHBondContact O-N 3.01Å; A114-I116 VanDerWaalsContact C-N 3.32Å; A114-I116 PolarHBondContact O-N 3.13Å; I116-L118 PolarHBondContact O-N 2.98Å; I116-F119 WeakPolarHBondContact O-CB 3.44Å; I116-F119 PolarHBondContact O-N 3.43Å; I116-L120 HydrophobicContact CG2-CD1 4.04Å; I116-L120 HydrophobicContact CG2-CG 4.3Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 3.12Å; I116-F266 HydrophobicContact CD1-CE2 4.32Å; I116-L274 HydrophobicContact CB-CD2 3.9Å; I116-L274 HydrophobicContact CD1-CD1 3.52Å; I116-L274 HydrophobicContact CD1-CD2 3.89Å; I116-L274 HydrophobicContact CD1-CG 4.29Å; I116-L274 HydrophobicContact CG2-CD2 3.69Å |
| 117 | L | 98.5 | Very high | 98.4 | Very high | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -69.3 | -33.1 | 179.2 | -67.8 | -179.4 | 0 | 0 | 0 | 112.9 | V113 A114 L120 G121 M126 V278 S305 V308 | V113-L117 HydrophobicContact CG1-CD1 3.68Å; V113-L117 HydrophobicContact CG1-CG 4.11Å; V113-L117 WeakPolarHBondContact O-CB 3.29Å; V113-L117 WeakPolarHBondContact O-CG 3.3Å; V113-L117 PolarHBondContact O-N 3.5Å; A114-L117 PolarHBondContact O-N 3.46Å; L117-L120 HydrophobicContact CD2-CD1 4.47Å; L117-G121 PolarHBondContact O-N 3.17Å; L117-M126 HydrophobicContact CD2-CE 3.8Å; L117-V278 HydrophobicContact CD2-CG2 3.97Å; L117-S305 PolarHBondContact O-OG 3.14Å; L117-V308 HydrophobicContact CD1-CB 3.94Å; L117-V308 HydrophobicContact CD1-CG1 3.45Å; L117-V308 VanDerWaalsContact CD1-CG1 3.45Å |
| 118 | L | 98.6 | Very high | 98.4 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 18% | 0.178 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -60.4 | -50.3 | 168.9 | -77.1 | 173 | 0 | 0 | 0 | 110.3 | A114 I116 L120 G121 V122 V306 L310 F313 | A114-L118 WeakPolarHBondContact O-CB 3.22Å; A114-L118 VanDerWaalsContact O-CG 3.27Å; A114-L118 WeakPolarHBondContact O-CG 3.31Å; A114-L118 PolarHBondContact O-N 2.94Å; I116-L118 PolarHBondContact O-N 2.98Å; L118-L120 PolarHBondContact O-N 3.13Å; L118-G121 PolarHBondContact O-N 3.29Å; L118-V122 WeakPolarHBondContact O-CB 3.29Å; L118-V122 VanDerWaalsContact O-CG2 3.29Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.33Å; L118-V306 HydrophobicContact CD2-CG1 4.16Å; L118-L310 HydrophobicContact CD2-CD2 3.9Å; L118-L310 HydrophobicContact CD2-CG 3.9Å; L118-F313 HydrophobicContact CD1-CB 4.26Å; L118-F313 HydrophobicContact CD1-CD2 4.47Å; L118-F313 HydrophobicContact CD1-CG 4.37Å |
| 119 | F | 98.7 | Very high | 98.2 | Very high | 127 Ų | 127 | 35.6 Ų | 35.6 | 56% | 0.557 | 21% | 0.208 | S | C | * | . | H | α-helix | trans | -58.3 | -50.6 | 178.5 | 174.7 | -97.9 | 0 | 0 | 0 | 112 | A115 I116 G121 T123 | A115-F119 WeakPolarHBondContact O-CB 3.15Å; A115-F119 PolarHBondContact O-N 2.92Å; I116-F119 WeakPolarHBondContact O-CB 3.44Å; I116-F119 PolarHBondContact O-N 3.43Å; F119-G121 VanDerWaalsContact C-N 3.28Å; F119-G121 PolarHBondContact O-N 3.38Å; F119-T123 HydrophobicContact CD2-CG2 3.99Å; F119-T123 HydrophobicContact CE1-CG2 4.49Å; F119-T123 HydrophobicContact CE2-CG2 3.73Å; F119-T123 HydrophobicContact CG-CG2 4.49Å; F119-T123 HydrophobicContact CZ-CG2 4Å; F119-T123 WeakPolarHBondContact O-CB 3.26Å; F119-T123 VanDerWaalsContact O-CG2 3.25Å; F119-T123 WeakPolarHBondContact O-CG2 3.34Å; F119-T123 PolarHBondContact O-N 2.78Å; F119-T123 PolarHBondContact O-OG1 3.28Å |
| 120 | L | 98.5 | Very high | 98.1 | Very high | 23 Ų | 23 | 37.5 Ų | 37.5 | 12% | 0.12 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.7 | -35.6 | 178.7 | -66.7 | 179.6 | 0 | 0 | 0 | 112.5 | I116 L117 L118 L125 M126 V278 | I116-L120 HydrophobicContact CG2-CD1 4.04Å; I116-L120 HydrophobicContact CG2-CG 4.3Å; I116-L120 VanDerWaalsContact O-CG 3.29Å; I116-L120 WeakPolarHBondContact O-CG 3.41Å; I116-L120 PolarHBondContact O-N 3.12Å; L117-L120 HydrophobicContact CD2-CD1 4.47Å; L118-L120 PolarHBondContact O-N 3.13Å; L120-L125 HydrophobicContact CD2-CB 4.11Å; L120-L125 HydrophobicContact CD2-CD2 3.53Å; L120-L125 HydrophobicContact CD2-CG 3.92Å; L120-L125 PolarHBondContact O-N 2.71Å; L120-L125 VanDerWaalsContact O-N 3.17Å; L120-M126 HydrophobicContact CB-CB 4.31Å; L120-M126 HydrophobicContact CB-CE 3.81Å; L120-M126 HydrophobicContact CD1-CE 3.67Å; L120-M126 HydrophobicContact CG-CE 4.4Å; L120-M126 WeakPolarHBondContact O-CB 3.2Å; L120-M126 PolarHBondContact O-N 2.78Å; L120-V278 HydrophobicContact CD1-CG2 4.36Å |
| 121 | G | 98.5 | Very high | 97.9 | Very high | 4 Ų | 4 | 46.2 Ų | 46.2 | 4% | 0.041 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -71.8 | -51.7 | 178.4 | 0 | 0 | 0 | 0 | 0 | 112.6 | L117 L118 F119 G124 A302 | L117-G121 PolarHBondContact O-N 3.17Å; L118-G121 PolarHBondContact O-N 3.29Å; F119-G121 VanDerWaalsContact C-N 3.28Å; F119-G121 PolarHBondContact O-N 3.38Å; G121-G124 PolarHBondContact O-N 3.09Å; G121-A302 WeakPolarHBondContact O-CB 3.46Å |
| 122 | V | 98.5 | Very high | 97.7 | Very high | 117 Ų | 117 | 51.7 Ų | 51.7 | 71% | 0.709 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -65.8 | -39.6 | -177.1 | 172.2 | 0 | 0 | 0 | 0 | 111.9 | L118 G124 V306 | L118-V122 WeakPolarHBondContact O-CB 3.29Å; L118-V122 VanDerWaalsContact O-CG2 3.29Å; L118-V122 WeakPolarHBondContact O-CG2 3.31Å; L118-V122 PolarHBondContact O-N 3.33Å; V122-G124 PolarHBondContact O-N 3.17Å; V122-V306 HydrophobicContact CG2-CG2 3.97Å |
| 123 | T | 98.5 | Very high | 97.5 | Very high | 77 Ų | 77 | 52.7 Ų | 52.7 | 47% | 0.472 | 28% | 0.281 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74 | -10.3 | 177.9 | 57.7 | 0 | 0 | 0 | 0 | 113.5 | F119 L125 | F119-T123 HydrophobicContact CD2-CG2 3.99Å; F119-T123 HydrophobicContact CE1-CG2 4.49Å; F119-T123 HydrophobicContact CE2-CG2 3.73Å; F119-T123 HydrophobicContact CG-CG2 4.49Å; F119-T123 HydrophobicContact CZ-CG2 4Å; F119-T123 WeakPolarHBondContact O-CB 3.26Å; F119-T123 VanDerWaalsContact O-CG2 3.25Å; F119-T123 WeakPolarHBondContact O-CG2 3.34Å; F119-T123 PolarHBondContact O-N 2.78Å; F119-T123 PolarHBondContact O-OG1 3.28Å; T123-L125 PolarHBondContact O-N 2.82Å; T123-L125 PolarHBondContact OG1-N 3.01Å |
| 124 | G | 96.8 | Very high | 97.3 | Very high | 23 Ų | 23 | 53.5 Ų | 53.5 | 24% | 0.237 | 29% | 0.286 | C | S | . | . | S | Bend | trans | 74.1 | 2.3 | -173.8 | 0 | 0 | 0 | 0 | 0 | 114.2 | G121 V122 M126 T127 T128 | G121-G124 PolarHBondContact O-N 3.09Å; V122-G124 PolarHBondContact O-N 3.17Å; G124-M126 PolarHBondContact O-N 3.02Å; G124-T127 WeakPolarHBondContact O-CB 3.39Å; G124-T127 PolarHBondContact O-N 3.13Å; G124-T128 PolarHBondContact O-N 2.88Å |
| 125 | L | 98 | Very high | 97.1 | Very high | 76 Ų | 76 | 56.3 Ų | 56.3 | 40% | 0.398 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -60.3 | -33.2 | 177.8 | -175.7 | 54.4 | 0 | 0 | 0 | 111.6 | L120 T123 T127 T128 L129 | L120-L125 HydrophobicContact CD2-CB 4.11Å; L120-L125 HydrophobicContact CD2-CD2 3.53Å; L120-L125 HydrophobicContact CD2-CG 3.92Å; L120-L125 PolarHBondContact O-N 2.71Å; L120-L125 VanDerWaalsContact O-N 3.17Å; T123-L125 PolarHBondContact O-N 2.82Å; T123-L125 PolarHBondContact OG1-N 3.01Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 2.75Å; L125-T128 WeakPolarHBondContact O-CB 3.41Å; L125-T128 PolarHBondContact O-N 2.83Å; L125-T128 VanDerWaalsContact O-N 3.13Å; L125-L129 WeakPolarHBondContact O-CG 3.37Å; L125-L129 PolarHBondContact O-N 3.21Å |
| 126 | M | 97.8 | Very high | 97.1 | Very high | 0 Ų | 0 | 53.9 Ų | 53.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60.9 | -38.6 | 173.9 | -168.2 | 60.9 | 73.1 | 0 | 0 | 112.8 | L117 L120 G124 T128 L129 Y130 V278 V282 I283 P301 S305 | L117-M126 HydrophobicContact CD2-CE 3.8Å; L120-M126 HydrophobicContact CB-CB 4.31Å; L120-M126 HydrophobicContact CB-CE 3.81Å; L120-M126 HydrophobicContact CD1-CE 3.67Å; L120-M126 HydrophobicContact CG-CE 4.4Å; L120-M126 WeakPolarHBondContact O-CB 3.2Å; L120-M126 PolarHBondContact O-N 2.78Å; G124-M126 PolarHBondContact O-N 3.02Å; M126-T128 VanDerWaalsContact C-N 3.33Å; M126-L129 PolarHBondContact O-N 3.06Å; M126-L129 HydrophobicContact SD-CD1 4.34Å; M126-Y130 PolarHBondContact O-N 3.26Å; M126-V278 HydrophobicContact CE-CG1 4.22Å; M126-V278 HydrophobicContact CE-CG2 3.99Å; M126-V278 HydrophobicContact SD-CG1 3.93Å; M126-V282 HydrophobicContact CE-CG2 4.46Å; M126-V282 HydrophobicContact CG-CG1 3.75Å; M126-V282 HydrophobicContact SD-CB 4.4Å; M126-V282 HydrophobicContact SD-CG1 4.09Å; M126-I283 HydrophobicContact SD-CD1 4.11Å; M126-P301 HydrophobicContact CG-CB 4.01Å; M126-S305 WeakPolarHBondContact CE-OG 3.44Å |
| 127 | T | 98 | Very high | 96.9 | Very high | 34 Ų | 34 | 51.6 Ų | 51.6 | 21% | 0.209 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -66.9 | -38.4 | 175.1 | -56.7 | 0 | 0 | 0 | 0 | 110.8 | G124 L125 Y130 R131 A302 | G124-T127 WeakPolarHBondContact O-CB 3.39Å; G124-T127 PolarHBondContact O-N 3.13Å; L125-T127 VanDerWaalsContact C-N 3.3Å; L125-T127 PolarHBondContact O-N 2.75Å; T127-Y130 PolarHBondContact O-N 3.12Å; T127-R131 WeakPolarHBondContact O-CG 3.17Å; T127-R131 PolarHBondContact O-N 2.92Å; T127-R131 VanDerWaalsContact O-N 3.13Å; T127-A302 WeakPolarHBondContact OG1-CB 3.14Å |
| 128 | T | 97.5 | Very high | 96.8 | Very high | 54 Ų | 54 | 52.1 Ų | 52.1 | 33% | 0.331 | 27% | 0.273 | S | S | . | . | H | α-helix | trans | -63 | -46.5 | 173.8 | -61.5 | 0 | 0 | 0 | 0 | 111.2 | G124 L125 M126 Y130 R131 L132 | G124-T128 PolarHBondContact O-N 2.88Å; L125-T128 WeakPolarHBondContact O-CB 3.41Å; L125-T128 PolarHBondContact O-N 2.83Å; L125-T128 VanDerWaalsContact O-N 3.13Å; M126-T128 VanDerWaalsContact C-N 3.33Å; T128-Y130 PolarHBondContact O-N 3.33Å; T128-R131 PolarHBondContact O-N 2.83Å; T128-L132 HydrophobicContact CG2-CD1 3.88Å; T128-L132 HydrophobicContact CG2-CG 4.42Å; T128-L132 VanDerWaalsContact O-CG 3.29Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.93Å; T128-L132 VanDerWaalsContact O-N 3.09Å |
| 129 | L | 94.8 | Very high | 96.7 | Very high | 59 Ų | 59 | 50.6 Ų | 50.6 | 31% | 0.309 | 26% | 0.264 | S | S | . | . | H | α-helix | trans | -55.9 | -51.4 | 174.1 | -70.7 | 174 | 0 | 0 | 0 | 110.9 | L125 M126 R131 L132 L133 | L125-L129 WeakPolarHBondContact O-CG 3.37Å; L125-L129 PolarHBondContact O-N 3.21Å; M126-L129 PolarHBondContact O-N 3.06Å; M126-L129 HydrophobicContact SD-CD1 4.34Å; L129-R131 VanDerWaalsContact C-N 3.27Å; L129-R131 PolarHBondContact O-N 2.98Å; L129-L132 PolarHBondContact O-N 3.47Å; L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.01Å; L129-L133 VanDerWaalsContact O-N 3.12Å |
| 130 | Y | 95.9 | Very high | 96.6 | Very high | 39 Ų | 39 | 44.6 Ų | 44.6 | 15% | 0.153 | 24% | 0.238 | C | C | . | . | H | α-helix | trans | -52.7 | -42 | 178.4 | -176.2 | -103.2 | 0 | 0 | 0 | 113.7 | M126 T127 T128 I283 C286 E298 P301 | M126-Y130 PolarHBondContact O-N 3.26Å; T127-Y130 PolarHBondContact O-N 3.12Å; T128-Y130 PolarHBondContact O-N 3.33Å; Y130-I283 HydrophobicContact CD2-CB 4.23Å; Y130-I283 HydrophobicContact CD2-CD1 3.68Å; Y130-I283 HydrophobicContact CD2-CG1 4.49Å; Y130-I283 HydrophobicContact CD2-CG2 3.71Å; Y130-I283 HydrophobicContact CE2-CG2 4.09Å; Y130-I283 HydrophobicContact CG-CD1 4.17Å; Y130-C286 HydrophobicContact CD2-CB 4.48Å; Y130-C286 HydrophobicContact CE2-CB 3.85Å; Y130-E298 WeakPolarHBondContact CE1-OE1 3.41Å; Y130-E298 PolarHBondContact OH-OE1 3.2Å; Y130-P301 HydrophobicContact CD1-CG 3.65Å; Y130-P301 HydrophobicContact CD2-CG 3.83Å; Y130-P301 HydrophobicContact CE1-CG 4.25Å; Y130-P301 HydrophobicContact CE2-CG 4.44Å; Y130-P301 HydrophobicContact CG-CB 4.26Å; Y130-P301 HydrophobicContact CG-CG 3.41Å; Y130-P301 VanDerWaalsContact CG-CG 3.41Å |
| 131 | R | 95.1 | Very high | 96.3 | Very high | 183 Ų | 183 | 43.8 Ų | 43.8 | 69% | 0.691 | 23% | 0.234 | S | C | * | . | H | α-helix | trans | -72.3 | -27.7 | 178.2 | -69.4 | -174.7 | -62.9 | -152.6 | 1 | 113.9 | T127 T128 L129 | T127-R131 WeakPolarHBondContact O-CG 3.17Å; T127-R131 PolarHBondContact O-N 2.92Å; T127-R131 VanDerWaalsContact O-N 3.13Å; T128-R131 PolarHBondContact O-N 2.83Å; L129-R131 VanDerWaalsContact C-N 3.27Å; L129-R131 PolarHBondContact O-N 2.98Å |
| 132 | L | 94 | Very high | 96.2 | Very high | 127 Ų | 127 | 43.6 Ų | 43.6 | 67% | 0.665 | 23% | 0.232 | S | C | * | . | H | α-helix | trans | -81 | -22.6 | 179.9 | -70.2 | 171.6 | 0 | 0 | 0 | 112.6 | T128 L129 | T128-L132 HydrophobicContact CG2-CD1 3.88Å; T128-L132 HydrophobicContact CG2-CG 4.42Å; T128-L132 VanDerWaalsContact O-CG 3.29Å; T128-L132 WeakPolarHBondContact O-CG 3.48Å; T128-L132 PolarHBondContact O-N 2.93Å; T128-L132 VanDerWaalsContact O-N 3.09Å; L129-L132 PolarHBondContact O-N 3.47Å |
| 133 | L | 94.2 | Very high | 96.1 | Very high | 26 Ų | 26 | 39 Ų | 39 | 14% | 0.136 | 20% | 0.203 | C | C | . | . | S | Bend | trans | -77.6 | 124.6 | -175 | -66.4 | -174.9 | 0 | 0 | 0 | 112.1 | L129 V138 L279 I283 F418 I422 | L129-L133 WeakPolarHBondContact O-CG 3.41Å; L129-L133 PolarHBondContact O-N 3.01Å; L129-L133 VanDerWaalsContact O-N 3.12Å; L133-V138 HydrophobicContact CB-CG2 4.13Å; L133-L279 HydrophobicContact CD1-CD2 3.88Å; L133-I283 HydrophobicContact CD1-CB 4.45Å; L133-I283 HydrophobicContact CD1-CG1 3.98Å; L133-I283 HydrophobicContact CD1-CG2 3.85Å; L133-F418 HydrophobicContact CD1-CE2 4.03Å; L133-F418 HydrophobicContact CD1-CZ 4.33Å; L133-F418 HydrophobicContact CD2-CE2 3.6Å; L133-F418 HydrophobicContact CD2-CZ 3.5Å; L133-F418 HydrophobicContact CG-CE2 4.43Å; L133-I422 HydrophobicContact CD2-CD1 3.92Å |
| 134 | P | 95.2 | Very high | 96 | Very high | 16 Ų | 16 | 35.8 Ų | 35.8 | 10% | 0.104 | 18% | 0.184 | C | C | . | . | trans | -71.6 | 139.8 | 177.4 | 31 | -35.2 | 0 | 0 | 0 | 110.5 | P136 V137 V138 Y425 | P134-P136 VanDerWaalsContact C-CD 3.45Å; P134-P136 VanDerWaalsContact C-N 3.35Å; P134-V137 HydrophobicContact CG-CB 4.05Å; P134-V137 HydrophobicContact CG-CG2 3.65Å; P134-V137 WeakPolarHBondContact O-CB 3.24Å; P134-V137 PolarHBondContact O-N 2.77Å; P134-V138 PolarHBondContact O-N 3.34Å; P134-Y425 HydrophobicContact CB-CD1 3.88Å; P134-Y425 HydrophobicContact CB-CD2 3.74Å; P134-Y425 HydrophobicContact CB-CE1 3.72Å; P134-Y425 HydrophobicContact CB-CE2 3.58Å; P134-Y425 HydrophobicContact CB-CG 3.9Å; P134-Y425 HydrophobicContact CG-CD1 3.75Å; P134-Y425 HydrophobicContact CG-CD2 4.06Å; P134-Y425 HydrophobicContact CG-CE1 4.07Å; P134-Y425 HydrophobicContact CG-CE2 4.36Å; P134-Y425 HydrophobicContact CG-CG 3.75Å | ||
| 135 | L | 95.6 | Very high | 95.9 | Very high | 59 Ų | 59 | 35.5 Ų | 35.5 | 31% | 0.309 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -51.3 | -44 | -177.9 | 178.9 | 63.9 | 0 | 0 | 0 | 113.6 | V137 V138 R139 K287 M392 | L135-V137 PolarHBondContact O-N 3.17Å; L135-V138 PolarHBondContact O-N 3.22Å; L135-V138 VanDerWaalsContact O-N 3.09Å; L135-R139 HydrophobicContact CD1-CG 4.04Å; L135-R139 HydrophobicContact CG-CG 4.18Å; L135-R139 WeakPolarHBondContact O-CG 3.44Å; L135-R139 PolarHBondContact O-N 2.88Å; L135-K287 HydrophobicContact CD1-CD 4.13Å; L135-K287 HydrophobicContact CD1-CG 4.29Å; L135-M392 HydrophobicContact CD2-CE 4.06Å; L135-M392 HydrophobicContact CG-CE 4.04Å |
| 136 | P | 97.2 | Very high | 95.8 | Very high | 4 Ų | 4 | 31.9 Ų | 31.9 | 3% | 0.026 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -57.5 | -33.5 | 178.5 | -28.2 | 37 | 0 | 0 | 0 | 114.2 | P134 G140 M392 E397 V400 M401 | P134-P136 VanDerWaalsContact C-CD 3.45Å; P134-P136 VanDerWaalsContact C-N 3.35Å; P136-G140 PolarHBondContact O-N 3.38Å; P136-M392 HydrophobicContact CB-SD 4.13Å; P136-M392 HydrophobicContact CG-SD 4.2Å; P136-E397 HydrophobicContact CB-CB 4.41Å; P136-E397 HydrophobicContact CG-CB 3.72Å; P136-E397 HydrophobicContact CG-CG 3.67Å; P136-V400 HydrophobicContact CB-CB 3.88Å; P136-V400 HydrophobicContact CB-CG1 3.81Å; P136-M401 HydrophobicContact CB-CB 4.37Å; P136-M401 WeakPolarHBondContact O-CA 3.48Å; P136-M401 WeakPolarHBondContact O-CB 3.24Å |
| 137 | V | 95.8 | Very high | 95.7 | Very high | 1 Ų | 1 | 34.3 Ų | 34.3 | 1% | 0.006 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -72.3 | -42.5 | 177.7 | 174 | 0 | 0 | 0 | 0 | 110.4 | P134 L135 R139 G140 V141 V400 F418 I422 | P134-V137 HydrophobicContact CG-CB 4.05Å; P134-V137 HydrophobicContact CG-CG2 3.65Å; P134-V137 WeakPolarHBondContact O-CB 3.24Å; P134-V137 PolarHBondContact O-N 2.77Å; L135-V137 PolarHBondContact O-N 3.17Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 3.04Å; V137-G140 PolarHBondContact O-N 2.95Å; V137-V141 WeakPolarHBondContact O-CG2 3.45Å; V137-V141 PolarHBondContact O-N 2.92Å; V137-V400 HydrophobicContact CG2-CG1 3.85Å; V137-F418 HydrophobicContact CG1-CD2 3.37Å; V137-F418 HydrophobicContact CG1-CE2 3.67Å; V137-F418 HydrophobicContact CG1-CG 4.44Å; V137-I422 HydrophobicContact CG1-CG1 4.29Å; V137-I422 HydrophobicContact CG2-CG1 4.3Å |
| 138 | V | 95.7 | Very high | 95.5 | Very high | 12 Ų | 12 | 34.4 Ų | 34.4 | 7% | 0.073 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -60.8 | -45.2 | 175.1 | -177.2 | 0 | 0 | 0 | 0 | 110.7 | L133 P134 L135 G140 V141 Q142 I283 K287 | L133-V138 HydrophobicContact CB-CG2 4.13Å; P134-V138 PolarHBondContact O-N 3.34Å; L135-V138 PolarHBondContact O-N 3.22Å; L135-V138 VanDerWaalsContact O-N 3.09Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 3.49Å; V138-V141 PolarHBondContact O-N 3.29Å; V138-Q142 WeakPolarHBondContact O-CG 3.41Å; V138-Q142 PolarHBondContact O-N 3.42Å; V138-I283 HydrophobicContact CG1-CG2 4.12Å; V138-I283 HydrophobicContact CG2-CG2 3.79Å; V138-K287 HydrophobicContact CG1-CB 4.09Å; V138-K287 HydrophobicContact CG1-CG 4.27Å |
| 139 | R | 96.7 | Very high | 95.4 | Very high | 2 Ų | 2 | 32.5 Ų | 32.5 | 1% | 0.008 | 16% | 0.16 | C | C | . | . | H | α-helix | trans | -63.2 | -37.2 | 174.6 | -67.7 | -43.8 | -167.4 | -167.7 | -5.3 | 112.4 | L135 V137 V141 Q142 L143 D291 A388 D391 M392 M401 | L135-R139 HydrophobicContact CD1-CG 4.04Å; L135-R139 HydrophobicContact CG-CG 4.18Å; L135-R139 WeakPolarHBondContact O-CG 3.44Å; L135-R139 PolarHBondContact O-N 2.88Å; V137-R139 VanDerWaalsContact C-N 3.34Å; V137-R139 PolarHBondContact O-N 3.04Å; R139-V141 VanDerWaalsContact C-N 3.34Å; R139-V141 PolarHBondContact O-N 3.32Å; R139-Q142 PolarHBondContact O-N 3.23Å; R139-L143 VanDerWaalsContact O-CB 3.27Å; R139-L143 WeakPolarHBondContact O-CB 3.46Å; R139-L143 PolarHBondContact O-N 2.85Å; R139-D291 IonicContact CZ-OD2 3.17Å; R139-D291 IonicContact NH1-OD2 2.72Å; R139-D291 PolarHBondContact NH1-OD2 3.13Å; R139-D291 VanDerWaalsContact NH2-CG 3.34Å; R139-D291 IonicContact NH2-OD1 3.39Å; R139-D291 PolarHBondContact NH2-OD1 2.79Å; R139-D291 IonicContact NH2-OD2 2.7Å; R139-D291 PolarHBondContact NH2-OD2 3.43Å; R139-A388 WeakPolarHBondContact CD-O 3.33Å; R139-A388 PolarHBondContact NE-O 3.27Å; R139-A388 VanDerWaalsContact NE-O 3.08Å; R139-A388 PolarHBondContact NH1-O 2.92Å; R139-A388 VanDerWaalsContact NH1-O 3.17Å; R139-D391 IonicContact CZ-OD1 3.49Å; R139-D391 IonicContact CZ-OD2 3.4Å; R139-D391 IonicContact NE-OD1 2.82Å; R139-D391 PolarHBondContact NE-OD1 2.97Å; R139-D391 IonicContact NE-OD2 3.32Å; R139-D391 PolarHBondContact NE-OD2 2.98Å; R139-D391 IonicContact NH2-OD1 3.54Å; R139-D391 IonicContact NH2-OD2 2.69Å; R139-D391 PolarHBondContact NH2-OD2 2.91Å; R139-M392 HydrophobicContact CB-CE 4.24Å; R139-M392 HydrophobicContact CB-SD 4.37Å; R139-M392 HydrophobicContact CG-CE 3.52Å; R139-M392 HydrophobicContact CG-SD 4.29Å; R139-M401 HydrophobicContact CB-CG 3.87Å; R139-M401 HydrophobicContact CB-SD 3.82Å |
| 140 | G | 96 | Very high | 95.5 | Very high | 0 Ų | 0 | 30.1 Ų | 30.1 | 0% | 0 | 15% | 0.148 | C | C | . | . | H | α-helix | trans | -61.3 | -41.5 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | P136 V137 V138 S144 M401 A405 | P136-G140 PolarHBondContact O-N 3.38Å; V137-G140 PolarHBondContact O-N 2.95Å; V138-G140 VanDerWaalsContact C-N 3.32Å; V138-G140 PolarHBondContact O-N 3.49Å; G140-S144 WeakPolarHBondContact O-CB 3.49Å; G140-S144 PolarHBondContact O-N 3.29Å; G140-M401 WeakPolarHBondContact CA-O 3.49Å; G140-A405 WeakPolarHBondContact O-CB 3.21Å |
| 141 | V | 93.4 | Very high | 95.4 | Very high | 7 Ų | 7 | 33.6 Ų | 33.6 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.9 | -44.1 | 174.1 | 174.2 | 0 | 0 | 0 | 0 | 111.5 | V137 V138 R139 Q145 L279 | V137-V141 WeakPolarHBondContact O-CG2 3.45Å; V137-V141 PolarHBondContact O-N 2.92Å; V138-V141 PolarHBondContact O-N 3.29Å; R139-V141 VanDerWaalsContact C-N 3.34Å; R139-V141 PolarHBondContact O-N 3.32Å; V141-Q145 WeakPolarHBondContact O-CB 3.38Å; V141-Q145 PolarHBondContact O-N 2.84Å; V141-L279 HydrophobicContact CG1-CB 4.1Å; V141-L279 HydrophobicContact CG2-CB 4.42Å; V141-L279 HydrophobicContact CG2-CD1 4.34Å |
| 142 | Q | 96 | Very high | 95.3 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -61.1 | -47 | 176.3 | -73.4 | 176.3 | -25.5 | 0 | 0 | 111.5 | V138 R139 Q145 G146 A284 L385 | V138-Q142 WeakPolarHBondContact O-CG 3.41Å; V138-Q142 PolarHBondContact O-N 3.42Å; R139-Q142 PolarHBondContact O-N 3.23Å; Q142-Q145 PolarHBondContact O-N 3.23Å; Q142-G146 PolarHBondContact O-N 2.73Å; Q142-A284 HydrophobicContact CG-CB 3.71Å; Q142-A284 PolarHBondContact NE2-O 2.94Å; Q142-L385 HydrophobicContact CB-CD1 4.05Å; Q142-L385 HydrophobicContact CB-CG 4.39Å; Q142-L385 HydrophobicContact CG-CD1 4.05Å; Q142-L385 WeakPolarHBondContact O-CG 3.25Å |
| 143 | L | 96.8 | Very high | 95.4 | Very high | 20 Ų | 20 | 21.1 Ų | 21.1 | 11% | 0.105 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -61.2 | -49.1 | 178.1 | 179.6 | 59.6 | 0 | 0 | 0 | 111.5 | R139 Q145 G146 L147 A386 M401 L402 A405 | R139-L143 VanDerWaalsContact O-CB 3.27Å; R139-L143 WeakPolarHBondContact O-CB 3.46Å; R139-L143 PolarHBondContact O-N 2.85Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.02Å; L143-G146 PolarHBondContact O-N 2.81Å; L143-L147 HydrophobicContact CD1-CD1 3.9Å; L143-L147 HydrophobicContact CD1-CG 4.02Å; L143-L147 HydrophobicContact CG-CD1 4.03Å; L143-L147 HydrophobicContact CG-CG 4.5Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.22Å; L143-L147 PolarHBondContact O-N 3.43Å; L143-A386 HydrophobicContact CD1-CB 3.9Å; L143-M401 HydrophobicContact CD2-CE 4.16Å; L143-M401 HydrophobicContact CD2-CG 4.48Å; L143-M401 HydrophobicContact CD2-SD 4.47Å; L143-L402 HydrophobicContact CD2-CD2 3.96Å; L143-A405 HydrophobicContact CB-CB 4.18Å; L143-A405 HydrophobicContact CD2-CB 3.86Å; L143-A405 HydrophobicContact CG-CB 4.04Å |
| 144 | S | 95.2 | Very high | 95.5 | Very high | 9 Ų | 9 | 23 Ų | 23 | 6% | 0.063 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -56.7 | -46.4 | 176.3 | 173.2 | 0 | 0 | 0 | 0 | 111.9 | G140 S148 S408 L409 | G140-S144 WeakPolarHBondContact O-CB 3.49Å; G140-S144 PolarHBondContact O-N 3.29Å; S144-S148 WeakPolarHBondContact O-CB 3.45Å; S144-S148 PolarHBondContact O-N 3.35Å; S144-S148 PolarHBondContact O-OG 3.08Å; S144-S408 WeakPolarHBondContact OG-CB 3.39Å; S144-L409 WeakPolarHBondContact O-CD2 3.46Å |
| 145 | Q | 94 | Very high | 95.4 | Very high | 18 Ų | 18 | 27.4 Ų | 27.4 | 8% | 0.084 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -67.5 | -41.3 | -179.7 | -177.5 | 64 | 88.5 | 0 | 0 | 112 | K89 V141 Q142 L143 S148 F149 N280 L385 | K89-Q145 VanDerWaalsContact NZ-NE2 3.15Å; V141-Q145 WeakPolarHBondContact O-CB 3.38Å; V141-Q145 PolarHBondContact O-N 2.84Å; Q142-Q145 PolarHBondContact O-N 3.23Å; L143-Q145 VanDerWaalsContact C-N 3.32Å; L143-Q145 PolarHBondContact O-N 3.02Å; Q145-S148 PolarHBondContact O-N 3.41Å; Q145-F149 VanDerWaalsContact NE2-CE1 3.32Å; Q145-F149 PolarHBondContact O-N 3.32Å; Q145-F149 VanDerWaalsContact O-N 3.07Å; Q145-N280 WeakPolarHBondContact CG-ND2 3.43Å; Q145-L385 HydrophobicContact CB-CD2 3.83Å; Q145-L385 HydrophobicContact CG-CD2 3.75Å |
| 146 | G | 96.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.134 | C | C | . | . | H | α-helix | trans | -62.1 | -45.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.8 | Q142 L143 F149 A150 G382 | Q142-G146 PolarHBondContact O-N 2.73Å; L143-G146 PolarHBondContact O-N 2.81Å; G146-F149 WeakPolarHBondContact O-CB 3.38Å; G146-F149 PolarHBondContact O-N 3.5Å; G146-A150 PolarHBondContact O-N 3.12Å; G146-G382 CarbonylContact C-O 3.43Å; G146-G382 WeakPolarHBondContact CA-O 3.45Å; G146-G382 CarbonylContact O-C 3.2Å; G146-G382 VanDerWaalsContact O-CA 3.3Å; G146-G382 WeakPolarHBondContact O-CA 3.3Å |
| 147 | L | 96.4 | Very high | 95.3 | Very high | 50 Ų | 50 | 26.3 Ų | 26.3 | 26% | 0.262 | 14% | 0.136 | S | C | . | . | H | α-helix | trans | -65.7 | -39.6 | 174.8 | -69.1 | 177.2 | 0 | 0 | 0 | 112.4 | L143 F149 A150 F151 L409 | L143-L147 HydrophobicContact CD1-CD1 3.9Å; L143-L147 HydrophobicContact CD1-CG 4.02Å; L143-L147 HydrophobicContact CG-CD1 4.03Å; L143-L147 HydrophobicContact CG-CG 4.5Å; L143-L147 WeakPolarHBondContact O-CB 3.32Å; L143-L147 VanDerWaalsContact O-CG 3.31Å; L143-L147 WeakPolarHBondContact O-CG 3.22Å; L143-L147 PolarHBondContact O-N 3.43Å; L147-F149 VanDerWaalsContact C-N 3.26Å; L147-F149 PolarHBondContact O-N 3.02Å; L147-A150 PolarHBondContact O-N 2.98Å; L147-A150 VanDerWaalsContact O-N 3.14Å; L147-F151 HydrophobicContact CB-CE2 4.14Å; L147-F151 HydrophobicContact CB-CZ 4.21Å; L147-F151 VanDerWaalsContact O-CD2 3.31Å; L147-F151 WeakPolarHBondContact O-CD2 3.31Å; L147-F151 WeakPolarHBondContact O-CG 3.36Å; L147-F151 PolarHBondContact O-N 3.45Å; L147-L409 HydrophobicContact CB-CD1 4.24Å; L147-L409 HydrophobicContact CB-CD2 4.39Å; L147-L409 HydrophobicContact CD1-CD1 3.94Å |
| 148 | S | 93.6 | Very high | 95.3 | Very high | 36 Ų | 36 | 33.2 Ų | 33.2 | 25% | 0.252 | 16% | 0.162 | S | C | . | . | H | α-helix | trans | -59.4 | -39.2 | 175.2 | -62 | 0 | 0 | 0 | 0 | 112.1 | S144 Q145 T152 L409 | S144-S148 WeakPolarHBondContact O-CB 3.45Å; S144-S148 PolarHBondContact O-N 3.35Å; S144-S148 PolarHBondContact O-OG 3.08Å; Q145-S148 PolarHBondContact O-N 3.41Å; S148-T152 WeakPolarHBondContact O-CB 3.45Å; S148-T152 PolarHBondContact O-N 2.87Å; S148-T152 PolarHBondContact O-OG1 3.03Å; S148-L409 VanDerWaalsContact OG-CD2 3.25Å; S148-L409 WeakPolarHBondContact OG-CD2 3.43Å |
| 149 | F | 94.7 | Very high | 95.2 | Very high | 15 Ų | 15 | 35.8 Ų | 35.8 | 7% | 0.066 | 17% | 0.171 | C | C | . | . | H | α-helix | trans | -66.9 | -45.3 | 173.2 | -76.6 | -4.5 | 0 | 0 | 0 | 112 | T45 K89 Q145 G146 L147 F151 T152 A153 L378 | T45-F149 HydrophobicContact CG2-CD2 4.07Å; T45-F149 HydrophobicContact CG2-CE1 4.29Å; T45-F149 HydrophobicContact CG2-CE2 3.32Å; T45-F149 HydrophobicContact CG2-CZ 3.41Å; T45-F149 VanDerWaalsContact CG2-CZ 3.41Å; K89-F149 HydrophobicContact CD-CE1 4.18Å; K89-F149 HydrophobicContact CD-CZ 4.5Å; K89-F149 VanDerWaalsContact CE-CE1 3.49Å; Q145-F149 VanDerWaalsContact NE2-CE1 3.32Å; Q145-F149 PolarHBondContact O-N 3.32Å; Q145-F149 VanDerWaalsContact O-N 3.07Å; G146-F149 WeakPolarHBondContact O-CB 3.38Å; G146-F149 PolarHBondContact O-N 3.5Å; L147-F149 VanDerWaalsContact C-N 3.26Å; L147-F149 PolarHBondContact O-N 3.02Å; F149-F151 VanDerWaalsContact C-N 3.34Å; F149-F151 PolarHBondContact O-N 3.27Å; F149-T152 PolarHBondContact O-N 2.84Å; F149-A153 VanDerWaalsContact O-CB 3.25Å; F149-A153 WeakPolarHBondContact O-CB 3.24Å; F149-A153 PolarHBondContact O-N 3.35Å; F149-L378 HydrophobicContact CB-CD1 3.89Å; F149-L378 HydrophobicContact CB-CG 4.25Å; F149-L378 HydrophobicContact CD1-CD1 4.06Å; F149-L378 HydrophobicContact CD2-CD1 3.94Å; F149-L378 HydrophobicContact CE1-CD1 4.42Å; F149-L378 HydrophobicContact CE2-CD1 4.33Å; F149-L378 HydrophobicContact CG-CD1 3.74Å |
| 150 | A | 97.2 | Very high | 94.9 | Very high | 8 Ų | 8 | 38 Ų | 38 | 7% | 0.066 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -59.5 | -43 | 176 | 0 | 0 | 0 | 0 | 0 | 112 | G146 L147 A153 V154 L379 I383 | G146-A150 PolarHBondContact O-N 3.12Å; L147-A150 PolarHBondContact O-N 2.98Å; L147-A150 VanDerWaalsContact O-N 3.14Å; A150-A153 WeakPolarHBondContact O-CB 3.49Å; A150-A153 PolarHBondContact O-N 2.97Å; A150-V154 VanDerWaalsContact O-CG2 3.31Å; A150-V154 WeakPolarHBondContact O-CG2 3.49Å; A150-V154 PolarHBondContact O-N 3.46Å; A150-L379 HydrophobicContact CB-CD1 3.93Å; A150-I383 HydrophobicContact CB-CD1 4.07Å |
| 151 | F | 94.7 | Very high | 94.5 | Very high | 112 Ų | 112 | 39.5 Ų | 39.5 | 49% | 0.491 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -64.4 | -42 | 176.5 | -61.1 | -27.7 | 0 | 0 | 0 | 112.3 | L147 F149 V154 K155 L409 | L147-F151 HydrophobicContact CB-CE2 4.14Å; L147-F151 HydrophobicContact CB-CZ 4.21Å; L147-F151 VanDerWaalsContact O-CD2 3.31Å; L147-F151 WeakPolarHBondContact O-CD2 3.31Å; L147-F151 WeakPolarHBondContact O-CG 3.36Å; L147-F151 PolarHBondContact O-N 3.45Å; F149-F151 VanDerWaalsContact C-N 3.34Å; F149-F151 PolarHBondContact O-N 3.27Å; F151-V154 PolarHBondContact O-N 3.21Å; F151-K155 WeakPolarHBondContact O-CG 3.11Å; F151-K155 PolarHBondContact O-N 3.42Å; F151-K155 VanDerWaalsContact O-N 3.09Å; F151-L409 HydrophobicContact CE2-CD1 4.42Å; F151-L409 HydrophobicContact CE2-CD2 4.21Å |
| 152 | T | 92.6 | Very high | 94 | Very high | 48 Ų | 48 | 42.1 Ų | 42.1 | 29% | 0.294 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -65.1 | -42.8 | 176.2 | -56.1 | 0 | 0 | 0 | 0 | 111.1 | S148 F149 V154 K155 Y156 L378 | S148-T152 WeakPolarHBondContact O-CB 3.45Å; S148-T152 PolarHBondContact O-N 2.87Å; S148-T152 PolarHBondContact O-OG1 3.03Å; F149-T152 PolarHBondContact O-N 2.84Å; T152-V154 PolarHBondContact O-N 2.84Å; T152-K155 WeakPolarHBondContact O-CB 3.4Å; T152-K155 PolarHBondContact O-N 2.91Å; T152-K155 VanDerWaalsContact O-N 3.13Å; T152-Y156 HydrophobicContact CG2-CD1 4.27Å; T152-Y156 HydrophobicContact CG2-CE1 3.79Å; T152-Y156 HydrophobicContact CG2-CE2 4.06Å; T152-Y156 WeakPolarHBondContact O-CD1 3.43Å; T152-Y156 PolarHBondContact O-N 3.48Å; T152-L378 HydrophobicContact CG2-CD2 3.85Å |
| 153 | A | 96.2 | Very high | 93.4 | Very high | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -58.7 | -45.9 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | F149 A150 K155 Y156 I157 G375 L378 L379 | F149-A153 VanDerWaalsContact O-CB 3.25Å; F149-A153 WeakPolarHBondContact O-CB 3.24Å; F149-A153 PolarHBondContact O-N 3.35Å; A150-A153 WeakPolarHBondContact O-CB 3.49Å; A150-A153 PolarHBondContact O-N 2.97Å; A153-K155 VanDerWaalsContact C-N 3.28Å; A153-K155 PolarHBondContact O-N 3.32Å; A153-Y156 PolarHBondContact O-N 3.23Å; A153-Y156 VanDerWaalsContact O-N 3.15Å; A153-I157 VanDerWaalsContact O-CG1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.34Å; A153-I157 PolarHBondContact O-N 3.38Å; A153-G375 WeakPolarHBondContact CB-O 3.4Å; A153-L378 HydrophobicContact CB-CB 4.07Å; A153-L378 HydrophobicContact CB-CD2 4.31Å; A153-L378 HydrophobicContact CB-CG 4.11Å; A153-L379 HydrophobicContact CB-CB 3.7Å; A153-L379 HydrophobicContact CB-CD1 4.2Å |
| 154 | V | 96.1 | Very high | 92.3 | Very high | 66 Ų | 66 | 45.7 Ų | 45.7 | 40% | 0.4 | 23% | 0.229 | S | C | . | . | H | α-helix | trans | -60.7 | -39.3 | 175.4 | 171 | 0 | 0 | 0 | 0 | 110.9 | A150 F151 T152 I157 R158 | A150-V154 VanDerWaalsContact O-CG2 3.31Å; A150-V154 WeakPolarHBondContact O-CG2 3.49Å; A150-V154 PolarHBondContact O-N 3.46Å; F151-V154 PolarHBondContact O-N 3.21Å; T152-V154 PolarHBondContact O-N 2.84Å; V154-I157 PolarHBondContact O-N 3.09Å; V154-R158 HydrophobicContact CG1-CG 4.25Å; V154-R158 VanDerWaalsContact O-CB 3.31Å; V154-R158 WeakPolarHBondContact O-CB 3.27Å; V154-R158 WeakPolarHBondContact O-CG 3.39Å; V154-R158 PolarHBondContact O-N 3.43Å |
| 155 | K | 93.5 | Very high | 90.8 | Very high | 108 Ų | 108 | 52.8 Ų | 52.8 | 47% | 0.47 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -62.2 | -45.3 | 173.9 | -69.8 | 176.1 | -177.9 | -177.7 | 0 | 111.7 | F151 T152 A153 I157 R158 Y159 Q161 | F151-K155 WeakPolarHBondContact O-CG 3.11Å; F151-K155 PolarHBondContact O-N 3.42Å; F151-K155 VanDerWaalsContact O-N 3.09Å; T152-K155 WeakPolarHBondContact O-CB 3.4Å; T152-K155 PolarHBondContact O-N 2.91Å; T152-K155 VanDerWaalsContact O-N 3.13Å; A153-K155 VanDerWaalsContact C-N 3.28Å; A153-K155 PolarHBondContact O-N 3.32Å; K155-I157 VanDerWaalsContact C-N 3.32Å; K155-I157 PolarHBondContact O-N 3.46Å; K155-R158 PolarHBondContact O-N 3.19Å; K155-Y159 PolarHBondContact O-N 3.21Å; K155-Q161 PolarHBondContact O-NE2 3.26Å |
| 156 | Y | 94.3 | Very high | 88.9 | Confident | 27 Ų | 27 | 53.3 Ų | 53.3 | 11% | 0.106 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.3 | -37.8 | 178.7 | -72 | 4.5 | 0 | 0 | 0 | 112.3 | P48 T152 A153 Q161 F163 R175 I371 L378 | P48-Y156 HydrophobicContact CB-CE2 4.02Å; P48-Y156 WeakPolarHBondContact CB-OH 3.49Å; P48-Y156 HydrophobicContact CG-CE2 3.71Å; T152-Y156 HydrophobicContact CG2-CD1 4.27Å; T152-Y156 HydrophobicContact CG2-CE1 3.79Å; T152-Y156 HydrophobicContact CG2-CE2 4.06Å; T152-Y156 WeakPolarHBondContact O-CD1 3.43Å; T152-Y156 PolarHBondContact O-N 3.48Å; A153-Y156 PolarHBondContact O-N 3.23Å; A153-Y156 VanDerWaalsContact O-N 3.15Å; Y156-Q161 HydrophobicContact CD1-CG 3.46Å; Y156-Q161 VanDerWaalsContact CD1-CG 3.46Å; Y156-Q161 HydrophobicContact CE1-CG 3.9Å; Y156-Q161 HydrophobicContact CG-CG 4.16Å; Y156-F163 HydrophobicContact CE1-CZ 4.15Å; Y156-F163 HydrophobicContact CE2-CZ 4.23Å; Y156-F163 AromaticContact CZ-CZ 3.74Å; Y156-R175 VanDerWaalsContact O-CZ 3.29Å; Y156-R175 PolarHBondContact O-NE 2.83Å; Y156-R175 PolarHBondContact O-NH2 3.15Å; Y156-I371 HydrophobicContact CD1-CG2 4.37Å; Y156-I371 HydrophobicContact CD2-CG2 3.92Å; Y156-I371 HydrophobicContact CE2-CG2 4.47Å; Y156-I371 HydrophobicContact CG-CG2 3.86Å; Y156-L378 HydrophobicContact CD2-CD2 4.39Å; Y156-L378 HydrophobicContact CE2-CD2 4.24Å |
| 157 | I | 96 | Very high | 86.6 | Confident | 13 Ų | 13 | 56.7 Ų | 56.7 | 7% | 0.067 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -70.4 | -42 | 176.5 | -66.8 | 164.6 | 0 | 0 | 0 | 110.9 | A153 V154 K155 R175 L183 A186 V376 L379 | A153-I157 VanDerWaalsContact O-CG1 3.3Å; A153-I157 WeakPolarHBondContact O-CG1 3.34Å; A153-I157 PolarHBondContact O-N 3.38Å; V154-I157 PolarHBondContact O-N 3.09Å; K155-I157 VanDerWaalsContact C-N 3.32Å; K155-I157 PolarHBondContact O-N 3.46Å; I157-R175 VanDerWaalsContact O-CD 3.24Å; I157-R175 WeakPolarHBondContact O-CD 3.45Å; I157-R175 PolarHBondContact O-NE 3.05Å; I157-L183 HydrophobicContact CG2-CD1 3.87Å; I157-L183 WeakPolarHBondContact O-CD1 3.2Å; I157-A186 HydrophobicContact CG2-CB 4.16Å; I157-V376 HydrophobicContact CD1-CG2 3.96Å; I157-V376 HydrophobicContact CG1-CG2 4.15Å; I157-L379 HydrophobicContact CD1-CD2 4.39Å |
| 158 | R | 94.8 | Very high | 84.2 | Confident | 146 Ų | 146 | 59.4 Ų | 59.4 | 55% | 0.551 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -86.8 | -29.2 | -171.9 | -71.1 | -169.9 | 68 | -179.3 | 0.5 | 115.4 | V154 K155 R175 | V154-R158 HydrophobicContact CG1-CG 4.25Å; V154-R158 VanDerWaalsContact O-CB 3.31Å; V154-R158 WeakPolarHBondContact O-CB 3.27Å; V154-R158 WeakPolarHBondContact O-CG 3.39Å; V154-R158 PolarHBondContact O-N 3.43Å; K155-R158 PolarHBondContact O-N 3.19Å; R158-R175 WeakPolarHBondContact O-CB 3.43Å; R158-R175 PolarHBondContact O-N 2.9Å |
| 159 | Y | 93.5 | Very high | 82 | Confident | 66 Ų | 66 | 61 Ų | 61 | 26% | 0.259 | 32% | 0.322 | S | S | . | . | B | Isolated β-bridge | trans | -127.6 | 144.8 | -171.2 | -58.8 | -78.1 | 0 | 0 | 0 | 110.5 | K155 Q161 R175 | K155-Y159 PolarHBondContact O-N 3.21Å; Y159-Q161 PolarHBondContact O-NE2 2.84Å; Y159-R175 PolarHBondContact O-NH2 2.93Å; Y159-R175 VanDerWaalsContact O-NH2 3.13Å |
| 160 | V | 90.8 | Very high | 80 | Confident | 50 Ų | 50 | 63 Ų | 63 | 30% | 0.303 | 34% | 0.337 | S | S | . | . | trans | -59.4 | 140.6 | 169.9 | -177.8 | 0 | 0 | 0 | 0 | 108.2 | T171 V173 | V160-T171 PolarHBondContact O-OG1 3.43Å; V160-V173 HydrophobicContact CG2-CG1 4.38Å; V160-V173 PolarHBondContact N-O 2.93Å | ||
| 161 | Q | 88.7 | Confident | 78.1 | Confident | 30 Ų | 30 | 64.1 Ų | 64.1 | 14% | 0.14 | 34% | 0.343 | C | S | . | . | trans | -120.1 | 124.6 | 178.5 | -56.4 | -58.8 | -53.4 | 0 | 0 | 108.1 | K155 Y156 Y159 F163 I371 | K155-Q161 PolarHBondContact O-NE2 3.26Å; Y156-Q161 HydrophobicContact CD1-CG 3.46Å; Y156-Q161 VanDerWaalsContact CD1-CG 3.46Å; Y156-Q161 HydrophobicContact CE1-CG 3.9Å; Y156-Q161 HydrophobicContact CG-CG 4.16Å; Y159-Q161 PolarHBondContact O-NE2 2.84Å; Q161-F163 HydrophobicContact CB-CE2 4.11Å; Q161-F163 HydrophobicContact CB-CZ 4.19Å; Q161-I371 HydrophobicContact CB-CG2 3.95Å; Q161-I371 HydrophobicContact CG-CG2 3.8Å | ||
| 162 | D | 82.9 | Confident | 76.8 | Confident | 62 Ų | 62 | 63.6 Ų | 63.6 | 33% | 0.332 | 35% | 0.354 | S | S | . | . | trans | -111.3 | 101.3 | 175 | -175.8 | -2.1 | 0 | 0 | 0 | 108.7 | S164 R165 | D162-S164 VanDerWaalsContact CG-OG 3.29Å; D162-S164 PolarHBondContact O-N 3.01Å; D162-S164 VanDerWaalsContact OD1-CB 3.31Å; D162-S164 WeakPolarHBondContact OD1-CB 3.36Å; D162-S164 PolarHBondContact OD1-N 3.48Å; D162-S164 PolarHBondContact OD1-OG 2.86Å; D162-S164 PolarHBondContact OD2-OG 2.88Å; D162-R165 IonicContact OD2-NE 3.54Å | ||
| 163 | F | 83 | Confident | 76.5 | Confident | 29 Ų | 29 | 65.2 Ų | 65.2 | 13% | 0.127 | 36% | 0.363 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.8 | -7 | 179.5 | -67.2 | -67.1 | 0 | 0 | 0 | 113.4 | P48 L51 A52 L55 Y156 Q161 R165 I371 | P48-F163 HydrophobicContact CB-CE1 3.9Å; P48-F163 HydrophobicContact CB-CZ 3.77Å; P48-F163 HydrophobicContact CG-CZ 4.5Å; L51-F163 HydrophobicContact CD2-CB 4.32Å; L51-F163 HydrophobicContact CD2-CD2 3.78Å; L51-F163 HydrophobicContact CD2-CG 4.29Å; L51-F163 HydrophobicContact CG-CB 4.23Å; A52-F163 HydrophobicContact CB-CB 4.37Å; A52-F163 HydrophobicContact CB-CD1 3.96Å; L55-F163 HydrophobicContact CD1-CB 4.1Å; Y156-F163 HydrophobicContact CE1-CZ 4.15Å; Y156-F163 HydrophobicContact CE2-CZ 4.23Å; Y156-F163 AromaticContact CZ-CZ 3.74Å; Q161-F163 HydrophobicContact CB-CE2 4.11Å; Q161-F163 HydrophobicContact CB-CZ 4.19Å; F163-R165 VanDerWaalsContact C-N 3.27Å; F163-I371 HydrophobicContact CD2-CD1 4.15Å; F163-I371 HydrophobicContact CD2-CG1 4.44Å; F163-I371 HydrophobicContact CE2-CD1 3.54Å; F163-I371 HydrophobicContact CE2-CG1 3.8Å; F163-I371 HydrophobicContact CE2-CG2 3.97Å; F163-I371 HydrophobicContact CZ-CG2 4.24Å |
| 164 | S | 73.1 | Confident | 76.4 | Confident | 67 Ų | 67 | 69.6 Ų | 69.6 | 47% | 0.469 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -73.4 | -23.1 | 174.4 | 73.2 | 0 | 0 | 0 | 0 | 112.2 | D162 | D162-S164 VanDerWaalsContact CG-OG 3.29Å; D162-S164 PolarHBondContact O-N 3.01Å; D162-S164 VanDerWaalsContact OD1-CB 3.31Å; D162-S164 WeakPolarHBondContact OD1-CB 3.36Å; D162-S164 PolarHBondContact OD1-N 3.48Å; D162-S164 PolarHBondContact OD1-OG 2.86Å; D162-S164 PolarHBondContact OD2-OG 2.88Å |
| 165 | R | 64.5 | Low | 76.2 | Confident | 158 Ų | 158 | 67.1 Ų | 67.1 | 60% | 0.596 | 38% | 0.375 | S | S | * | . | S | Bend | trans | -89.1 | 113.6 | 173.8 | -62.9 | -176.5 | -175.4 | 173.3 | 0.6 | 108.3 | D162 F163 S167 | D162-R165 IonicContact OD2-NE 3.54Å; F163-R165 VanDerWaalsContact C-N 3.27Å; R165-S167 CarbonylContact O-C 3.59Å; R165-S167 PolarHBondContact O-N 3.45Å; R165-S167 VanDerWaalsContact O-O 3.13Å |
| 166 | S | 52.6 | Low | 76.3 | Confident | 28 Ų | 28 | 65.4 Ų | 65.4 | 20% | 0.196 | 38% | 0.375 | C | S | . | . | S | Bend | trans | -48.5 | -36.5 | 177.4 | 58.8 | 0 | 0 | 0 | 0 | 112.3 | L96 H100 S168 | L96-S166 CarbonylContact O-C 3.51Å; H100-S166 PolarHBondContact NE2-OG 3.37Å; S166-S168 PolarHBondContact O-N 3.25Å |
| 167 | S | 48.6 | Very low | 76.4 | Confident | 72 Ų | 72 | 69.4 Ų | 69.4 | 50% | 0.503 | 40% | 0.398 | S | S | . | . | S | Bend | trans | -64.4 | 99.6 | 164.7 | -61.5 | 0 | 0 | 0 | 0 | 109 | R165 A169 | R165-S167 CarbonylContact O-C 3.59Å; R165-S167 PolarHBondContact O-N 3.45Å; R165-S167 VanDerWaalsContact O-O 3.13Å; S167-A169 PolarHBondContact O-N 3.06Å |
| 168 | S | 46.9 | Very low | 76.3 | Confident | 107 Ų | 107 | 74.9 Ų | 74.9 | 75% | 0.748 | 43% | 0.426 | S | S | * | . | trans | -56.9 | 23.7 | 155 | 57.9 | 0 | 0 | 0 | 0 | 113.3 | S166 S170 | S166-S168 PolarHBondContact O-N 3.25Å; S168-S170 PolarHBondContact O-N 3.33Å | ||
| 169 | A | 47.3 | Very low | 76.2 | Confident | 69 Ų | 69 | 70.4 Ų | 70.4 | 57% | 0.57 | 43% | 0.426 | S | S | * | . | trans | -54.6 | 92.6 | 158.9 | 0 | 0 | 0 | 0 | 0 | 106.1 | S167 T171 | S167-A169 PolarHBondContact O-N 3.06Å; A169-T171 VanDerWaalsContact C-N 3.35Å; A169-T171 PolarHBondContact O-N 3.08Å | ||
| 170 | S | 51.9 | Low | 76.2 | Confident | 56 Ų | 56 | 70.7 Ų | 70.7 | 39% | 0.392 | 43% | 0.432 | S | S | . | . | trans | -25.5 | 104.1 | 152.8 | 52.8 | 0 | 0 | 0 | 0 | 107.8 | S168 S172 | S168-S170 PolarHBondContact O-N 3.33Å; S170-S172 PolarHBondContact O-N 3.28Å | ||
| 171 | T | 58 | Low | 76.3 | Confident | 32 Ų | 32 | 69.3 Ų | 69.3 | 20% | 0.196 | 42% | 0.422 | C | S | . | . | trans | -60 | 114.6 | 164.7 | 38.5 | 0 | 0 | 0 | 0 | 103.5 | V160 A169 V173 | V160-T171 PolarHBondContact O-OG1 3.43Å; A169-T171 VanDerWaalsContact C-N 3.35Å; A169-T171 PolarHBondContact O-N 3.08Å; T171-V173 PolarHBondContact O-N 3.41Å | ||
| 172 | S | 66.9 | Low | 76.6 | Confident | 101 Ų | 101 | 68 Ų | 68 | 71% | 0.706 | 42% | 0.416 | S | S | * | . | trans | -59.6 | -3.2 | 177.5 | 49.5 | 0 | 0 | 0 | 0 | 112.3 | S170 P174 | S170-S172 PolarHBondContact O-N 3.28Å; S172-P174 WeakPolarHBondContact O-CD 3.36Å | ||
| 173 | V | 87.9 | Confident | 77.3 | Confident | 82 Ų | 82 | 67.2 Ų | 67.2 | 50% | 0.497 | 41% | 0.412 | S | S | . | . | trans | -56.9 | 109 | 169.4 | -174.4 | 0 | 0 | 0 | 0 | 110.1 | V160 T171 | V160-V173 HydrophobicContact CG2-CG1 4.38Å; V160-V173 PolarHBondContact N-O 2.93Å; T171-V173 PolarHBondContact O-N 3.41Å | ||
| 174 | P | 92.3 | Very high | 78 | Confident | 93 Ų | 93 | 69.1 Ų | 69.1 | 60% | 0.604 | 43% | 0.426 | S | S | * | . | B | Isolated β-bridge | trans | -58.5 | 141.7 | 174.2 | -22.5 | 35.6 | 0 | 0 | 0 | 110.7 | S172 | S172-P174 WeakPolarHBondContact O-CD 3.36Å |
| 175 | R | 92.9 | Very high | 79.2 | Confident | 14 Ų | 14 | 67.7 Ų | 67.7 | 5% | 0.053 | 41% | 0.413 | C | S | . | . | P | Polyproline II helix | trans | -61.9 | 131.8 | 175.7 | -175.3 | 172.7 | -67.3 | -74.7 | 0.7 | 109.2 | Y156 I157 R158 Y159 D181 | Y156-R175 VanDerWaalsContact O-CZ 3.29Å; Y156-R175 PolarHBondContact O-NE 2.83Å; Y156-R175 PolarHBondContact O-NH2 3.15Å; I157-R175 VanDerWaalsContact O-CD 3.24Å; I157-R175 WeakPolarHBondContact O-CD 3.45Å; I157-R175 PolarHBondContact O-NE 3.05Å; R158-R175 WeakPolarHBondContact O-CB 3.43Å; R158-R175 PolarHBondContact O-N 2.9Å; Y159-R175 PolarHBondContact O-NH2 2.93Å; Y159-R175 VanDerWaalsContact O-NH2 3.13Å; R175-D181 WeakPolarHBondContact CD-O 3.22Å; R175-D181 IonicContact CZ-OD1 3.87Å; R175-D181 IonicContact CZ-OD2 3.72Å; R175-D181 PolarHBondContact NH1-O 3.26Å; R175-D181 IonicContact NH1-OD1 3.17Å; R175-D181 PolarHBondContact NH1-OD1 3.24Å; R175-D181 VanDerWaalsContact NH1-OD1 3.17Å; R175-D181 IonicContact NH1-OD2 2.71Å; R175-D181 PolarHBondContact NH1-OD2 3.4Å; R175-D181 IonicContact NH2-OD2 3.95Å |
| 176 | P | 95.4 | Very high | 80.7 | Confident | 71 Ų | 71 | 60.2 Ų | 60.2 | 46% | 0.461 | 39% | 0.385 | S | S | . | . | P | Polyproline II helix | trans | -58.5 | 146.9 | 178.1 | 25.6 | -35.6 | 0 | 0 | 0 | 110.4 | G182 L183 | P176-G182 CarbonylContact O-C 3.55Å; P176-G182 VanDerWaalsContact O-CA 3.25Å; P176-G182 WeakPolarHBondContact O-CA 3.31Å; P176-L183 PolarHBondContact O-N 2.86Å |
| 177 | L | 95.7 | Very high | 82.9 | Confident | 112 Ų | 112 | 63 Ų | 63 | 59% | 0.586 | 40% | 0.397 | S | S | * | . | S | Bend | trans | -62.7 | -50.5 | -176.9 | -176.8 | 65.2 | 0 | 0 | 0 | 111.4 | L183 V184 | L177-L183 HydrophobicContact CD1-CD2 4.4Å; L177-L183 PolarHBondContact O-N 3.42Å; L177-V184 HydrophobicContact CD1-CG2 3.83Å; L177-V184 HydrophobicContact CG-CG2 4.03Å; L177-V184 WeakPolarHBondContact O-CB 3.43Å; L177-V184 VanDerWaalsContact O-CG2 3.31Å; L177-V184 WeakPolarHBondContact O-CG2 3.49Å; L177-V184 PolarHBondContact O-N 3.29Å |
| 178 | L | 95.1 | Very high | 85.3 | Confident | 127 Ų | 127 | 62 Ų | 62 | 67% | 0.665 | 39% | 0.393 | S | S | * | . | S | Bend | trans | -104.5 | 167.6 | 178.3 | -65.1 | 173.3 | 0 | 0 | 0 | 111.1 | V184 | L178-V184 HydrophobicContact CD2-CG2 4.26Š|
| 179 | G | 92.4 | Very high | 87.7 | Confident | 52 Ų | 52 | 57.2 Ų | 57.2 | 54% | 0.536 | 36% | 0.361 | S | S | . | . | S | Bend | trans | 119.2 | 168 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | D181 G182 | G179-D181 PolarHBondContact O-N 3.29Å; G179-D181 VanDerWaalsContact O-N 3.12Å; G179-G182 PolarHBondContact O-N 3.27Å |
| 180 | L | 93 | Very high | 90.1 | Very high | 73 Ų | 73 | 55.7 Ų | 55.7 | 38% | 0.382 | 34% | 0.343 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -3.5 | -175 | -57 | 178.1 | 0 | 0 | 0 | 114 | L185 L233 V236 R237 | L180-L185 VanDerWaalsContact O-CD2 3.27Å; L180-L185 WeakPolarHBondContact O-CD2 3.36Å; L180-L233 HydrophobicContact CB-CD2 4.45Å; L180-L233 HydrophobicContact CD2-CD2 3.97Å; L180-V236 HydrophobicContact CD1-CB 4.4Å; L180-V236 HydrophobicContact CD1-CG1 3.77Å; L180-R237 HydrophobicContact CB-CG 3.5Å; L180-R237 HydrophobicContact CD1-CB 4.48Å; L180-R237 HydrophobicContact CD1-CG 3.64Å; L180-R237 HydrophobicContact CG-CG 4.23Å |
| 181 | D | 93 | Very high | 92.2 | Very high | 21 Ų | 21 | 57.8 Ų | 57.8 | 11% | 0.112 | 35% | 0.349 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -140.9 | 38.4 | 166.6 | -173.6 | 28.3 | 0 | 0 | 0 | 109.4 | R175 G179 R237 P370 I371 G372 | R175-D181 WeakPolarHBondContact CD-O 3.22Å; R175-D181 IonicContact CZ-OD1 3.87Å; R175-D181 IonicContact CZ-OD2 3.72Å; R175-D181 PolarHBondContact NH1-O 3.26Å; R175-D181 IonicContact NH1-OD1 3.17Å; R175-D181 PolarHBondContact NH1-OD1 3.24Å; R175-D181 VanDerWaalsContact NH1-OD1 3.17Å; R175-D181 IonicContact NH1-OD2 2.71Å; R175-D181 PolarHBondContact NH1-OD2 3.4Å; R175-D181 IonicContact NH2-OD2 3.95Å; G179-D181 PolarHBondContact O-N 3.29Å; G179-D181 VanDerWaalsContact O-N 3.12Å; D181-R237 VanDerWaalsContact CB-NH1 3.29Å; D181-R237 VanDerWaalsContact N-NH1 3.19Å; D181-P370 HydrophobicContact CB-CB 4.02Å; D181-P370 VanDerWaalsContact CG-CA 3.47Å; D181-P370 VanDerWaalsContact OD1-C 3.28Å; D181-P370 VanDerWaalsContact OD1-CA 3.23Å; D181-P370 WeakPolarHBondContact OD1-CA 3.35Å; D181-P370 VanDerWaalsContact OD1-CB 3.3Å; D181-P370 WeakPolarHBondContact OD1-CB 3.26Å; D181-I371 PolarHBondContact OD1-N 3.5Å; D181-I371 VanDerWaalsContact OD1-N 3.12Å; D181-I371 PolarHBondContact OD2-N 2.9Å; D181-G372 PolarHBondContact OD1-N 3.31Å; D181-G372 VanDerWaalsContact OD1-N 3.09Å |
| 182 | G | 95.4 | Very high | 94 | Very high | 1 Ų | 1 | 60 Ų | 60 | 1% | 0.01 | 36% | 0.356 | C | S | . | . | trans | -83.9 | 168.3 | -178.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | P176 G179 V184 L185 A186 | P176-G182 CarbonylContact O-C 3.55Å; P176-G182 VanDerWaalsContact O-CA 3.25Å; P176-G182 WeakPolarHBondContact O-CA 3.31Å; G179-G182 PolarHBondContact O-N 3.27Å; G182-V184 VanDerWaalsContact C-N 3.33Å; G182-V184 PolarHBondContact O-N 2.91Å; G182-L185 PolarHBondContact O-N 3.49Å; G182-A186 PolarHBondContact O-N 3.36Å | ||
| 183 | L | 97 | Very high | 95.2 | Very high | 46 Ų | 46 | 55.1 Ų | 55.1 | 24% | 0.241 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -61.1 | -39.5 | 178.5 | -178.7 | 62.8 | 0 | 0 | 0 | 112.1 | I157 P176 L177 L185 A186 L187 | I157-L183 HydrophobicContact CG2-CD1 3.87Å; I157-L183 WeakPolarHBondContact O-CD1 3.2Å; P176-L183 PolarHBondContact O-N 2.86Å; L177-L183 HydrophobicContact CD1-CD2 4.4Å; L177-L183 PolarHBondContact O-N 3.42Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 3.03Å; L183-A186 PolarHBondContact O-N 2.81Å; L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.14Å; L183-L187 HydrophobicContact CD2-CD1 4.49Å; L183-L187 HydrophobicContact CG-CD1 3.97Å; L183-L187 HydrophobicContact CG-CG 4.25Å; L183-L187 WeakPolarHBondContact O-CG 3.38Å; L183-L187 PolarHBondContact O-N 2.99Å |
| 184 | V | 97.9 | Very high | 95.4 | Very high | 70 Ų | 70 | 55 Ų | 55 | 42% | 0.424 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -60.6 | -40.2 | 178.1 | 170.9 | 0 | 0 | 0 | 0 | 111.5 | L177 L178 G182 L187 A188 | L177-V184 HydrophobicContact CD1-CG2 3.83Å; L177-V184 HydrophobicContact CG-CG2 4.03Å; L177-V184 WeakPolarHBondContact O-CB 3.43Å; L177-V184 VanDerWaalsContact O-CG2 3.31Å; L177-V184 WeakPolarHBondContact O-CG2 3.49Å; L177-V184 PolarHBondContact O-N 3.29Å; L178-V184 HydrophobicContact CD2-CG2 4.26Å; G182-V184 VanDerWaalsContact C-N 3.33Å; G182-V184 PolarHBondContact O-N 2.91Å; V184-L187 PolarHBondContact O-N 3.32Å; V184-A188 VanDerWaalsContact O-CB 3.22Å; V184-A188 WeakPolarHBondContact O-CB 3.42Å; V184-A188 PolarHBondContact O-N 3.23Å |
| 185 | L | 97.9 | Very high | 95.4 | Very high | 37 Ų | 37 | 56.3 Ų | 56.3 | 19% | 0.194 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -63 | -45.7 | 176.9 | 177.4 | 65.8 | 0 | 0 | 0 | 111.2 | L180 G182 L183 A188 A189 L229 L233 P370 I373 | L180-L185 VanDerWaalsContact O-CD2 3.27Å; L180-L185 WeakPolarHBondContact O-CD2 3.36Å; G182-L185 PolarHBondContact O-N 3.49Å; L183-L185 VanDerWaalsContact C-N 3.31Å; L183-L185 PolarHBondContact O-N 3.03Å; L185-A188 PolarHBondContact O-N 2.98Å; L185-A189 WeakPolarHBondContact O-CB 3.31Å; L185-A189 PolarHBondContact O-N 3.37Å; L185-L229 HydrophobicContact CD1-CD2 4.18Å; L185-L233 HydrophobicContact CD1-CD1 4.3Å; L185-L233 HydrophobicContact CD2-CD1 3.53Å; L185-P370 HydrophobicContact CD2-CB 4.31Å; L185-I373 HydrophobicContact CD2-CD1 4.14Å; L185-I373 HydrophobicContact CG-CD1 4.33Å |
| 186 | A | 97.7 | Very high | 95.1 | Very high | 1 Ų | 1 | 56 Ų | 56 | 1% | 0.008 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -63 | -44.7 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | I157 G182 L183 A189 L190 V376 | I157-A186 HydrophobicContact CG2-CB 4.16Å; G182-A186 PolarHBondContact O-N 3.36Å; L183-A186 PolarHBondContact O-N 2.81Å; A186-A189 PolarHBondContact O-N 2.92Å; A186-L190 WeakPolarHBondContact O-CB 3.49Å; A186-L190 PolarHBondContact O-N 2.81Å; A186-V376 HydrophobicContact CB-CG2 4.37Å; A186-V376 VanDerWaalsContact O-CG2 3.29Å; A186-V376 WeakPolarHBondContact O-CG2 3.31Å |
| 187 | L | 98.1 | Very high | 94.5 | Very high | 85 Ų | 85 | 54 Ų | 54 | 45% | 0.445 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -66.6 | -36.9 | 177.3 | -67 | 179.4 | 0 | 0 | 0 | 112.4 | L183 V184 L190 L191 | L183-L187 HydrophobicContact CD1-CD1 4.28Å; L183-L187 HydrophobicContact CD1-CG 4.14Å; L183-L187 HydrophobicContact CD2-CD1 4.49Å; L183-L187 HydrophobicContact CG-CD1 3.97Å; L183-L187 HydrophobicContact CG-CG 4.25Å; L183-L187 WeakPolarHBondContact O-CG 3.38Å; L183-L187 PolarHBondContact O-N 2.99Å; V184-L187 PolarHBondContact O-N 3.32Å; L187-L190 HydrophobicContact CD2-CD2 4.42Å; L187-L190 PolarHBondContact O-N 3.09Å; L187-L191 WeakPolarHBondContact O-CB 3.32Å; L187-L191 PolarHBondContact O-N 3.4Å |
| 188 | A | 98 | Very high | 93.8 | Very high | 52 Ų | 52 | 50.6 Ų | 50.6 | 43% | 0.43 | 30% | 0.298 | S | S | . | . | H | α-helix | trans | -65 | -42.9 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | V184 L185 L191 F192 | V184-A188 VanDerWaalsContact O-CB 3.22Å; V184-A188 WeakPolarHBondContact O-CB 3.42Å; V184-A188 PolarHBondContact O-N 3.23Å; L185-A188 PolarHBondContact O-N 2.98Å; A188-L191 PolarHBondContact O-N 3.37Å; A188-F192 VanDerWaalsContact O-CB 3.25Å; A188-F192 WeakPolarHBondContact O-CB 3.44Å; A188-F192 PolarHBondContact O-N 3.35Å |
| 189 | A | 97.8 | Very high | 92.4 | Very high | 7 Ų | 7 | 48.3 Ų | 48.3 | 6% | 0.058 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -63.2 | -42.8 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112 | L185 A186 F192 I193 V226 I373 | L185-A189 WeakPolarHBondContact O-CB 3.31Å; L185-A189 PolarHBondContact O-N 3.37Å; A186-A189 PolarHBondContact O-N 2.92Å; A189-F192 PolarHBondContact O-N 3.2Å; A189-I193 WeakPolarHBondContact O-CG1 3.4Å; A189-I193 PolarHBondContact O-N 3.38Å; A189-V226 HydrophobicContact CB-CG1 3.93Å; A189-V226 HydrophobicContact CB-CG2 4.17Å; A189-I373 HydrophobicContact CB-CG1 4.37Å |
| 190 | L | 97.1 | Very high | 91.1 | Very high | 37 Ų | 37 | 47.4 Ų | 47.4 | 19% | 0.194 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -58.6 | -52.7 | 174.4 | 176.8 | 60.4 | 0 | 0 | 0 | 110.9 | A186 L187 F192 I193 I194 V376 L379 F380 | A186-L190 WeakPolarHBondContact O-CB 3.49Å; A186-L190 PolarHBondContact O-N 2.81Å; L187-L190 HydrophobicContact CD2-CD2 4.42Å; L187-L190 PolarHBondContact O-N 3.09Å; L190-F192 VanDerWaalsContact C-N 3.34Å; L190-F192 PolarHBondContact O-N 3.18Å; L190-I193 PolarHBondContact O-N 3.42Å; L190-I194 HydrophobicContact CD1-CD1 4.04Å; L190-I194 HydrophobicContact CD1-CG1 4.35Å; L190-I194 HydrophobicContact CG-CD1 4.09Å; L190-I194 WeakPolarHBondContact O-CG1 3.34Å; L190-I194 PolarHBondContact O-N 3.32Å; L190-V376 HydrophobicContact CB-CG1 4.02Å; L190-V376 HydrophobicContact CB-CG2 4.02Å; L190-V376 HydrophobicContact CD1-CG1 4.14Å; L190-L379 HydrophobicContact CD1-CD2 4.09Å; L190-F380 HydrophobicContact CD1-CE2 3.61Å; L190-F380 HydrophobicContact CD1-CZ 4.03Å |
| 191 | L | 96.4 | Very high | 89.5 | Confident | 99 Ų | 99 | 48.7 Ų | 48.7 | 52% | 0.518 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.2 | -44.3 | 179.3 | -178 | 62.2 | 0 | 0 | 0 | 111.4 | L187 A188 I193 I194 L195 | L187-L191 WeakPolarHBondContact O-CB 3.32Å; L187-L191 PolarHBondContact O-N 3.4Å; A188-L191 PolarHBondContact O-N 3.37Å; L191-I193 PolarHBondContact O-N 2.84Å; L191-I194 PolarHBondContact O-N 3.19Å; L191-L195 HydrophobicContact CD1-CD1 4.09Å; L191-L195 HydrophobicContact CD1-CG 4.12Å; L191-L195 HydrophobicContact CG-CD1 3.91Å; L191-L195 HydrophobicContact CG-CG 4.34Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.13Å; L191-L195 PolarHBondContact O-N 2.95Å |
| 192 | F | 96 | Very high | 87.6 | Confident | 78 Ų | 78 | 49.6 Ų | 49.6 | 34% | 0.342 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -59.1 | -45.9 | 177.4 | 174.7 | -109.2 | 0 | 0 | 0 | 112.1 | A188 A189 L190 L195 A196 V220 A222 I225 V226 | A188-F192 VanDerWaalsContact O-CB 3.25Å; A188-F192 WeakPolarHBondContact O-CB 3.44Å; A188-F192 PolarHBondContact O-N 3.35Å; A189-F192 PolarHBondContact O-N 3.2Å; L190-F192 VanDerWaalsContact C-N 3.34Å; L190-F192 PolarHBondContact O-N 3.18Å; F192-L195 PolarHBondContact O-N 3.38Å; F192-A196 WeakPolarHBondContact O-CB 3.23Å; F192-A196 PolarHBondContact O-N 3.4Å; F192-V220 HydrophobicContact CZ-CG1 3.95Å; F192-A222 HydrophobicContact CD1-CB 4.21Å; F192-A222 HydrophobicContact CE1-CB 3.75Å; F192-A222 HydrophobicContact CZ-CB 4.4Å; F192-I225 HydrophobicContact CE1-CB 4.22Å; F192-I225 HydrophobicContact CE1-CD1 4.48Å; F192-I225 HydrophobicContact CE1-CG2 4.11Å; F192-I225 HydrophobicContact CZ-CD1 4.1Å; F192-I225 HydrophobicContact CZ-CG2 4.31Å; F192-V226 HydrophobicContact CD1-CG2 3.7Å; F192-V226 HydrophobicContact CE1-CG2 4.14Å |
| 193 | I | 93.2 | Very high | 85.5 | Confident | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | H | α-helix | trans | -65.7 | -41.3 | 177.7 | -67.5 | 168.9 | 0 | 0 | 0 | 111 | A189 L190 L191 A196 T197 A222 V226 F336 V376 F380 | A189-I193 WeakPolarHBondContact O-CG1 3.4Å; A189-I193 PolarHBondContact O-N 3.38Å; L190-I193 PolarHBondContact O-N 3.42Å; L191-I193 PolarHBondContact O-N 2.84Å; I193-A196 PolarHBondContact O-N 3.34Å; I193-T197 HydrophobicContact CG2-CG2 4.28Å; I193-T197 WeakPolarHBondContact O-CB 3.4Å; I193-T197 PolarHBondContact O-N 2.72Å; I193-T197 PolarHBondContact O-OG1 3.38Å; I193-A222 HydrophobicContact CG1-CB 4.09Å; I193-V226 HydrophobicContact CD1-CB 4.46Å; I193-V226 HydrophobicContact CD1-CG1 4.45Å; I193-V226 HydrophobicContact CD1-CG2 4.16Å; I193-V226 HydrophobicContact CG1-CG2 4.13Å; I193-F336 HydrophobicContact CD1-CE1 4.46Å; I193-F336 HydrophobicContact CG2-CE1 3.87Å; I193-V376 HydrophobicContact CD1-CG1 3.83Å; I193-F380 HydrophobicContact CB-CE2 3.77Å; I193-F380 HydrophobicContact CB-CZ 3.91Å; I193-F380 HydrophobicContact CD1-CE2 4.33Å; I193-F380 HydrophobicContact CG2-CD1 4.3Å; I193-F380 HydrophobicContact CG2-CD2 3.89Å; I193-F380 HydrophobicContact CG2-CE1 3.83Å; I193-F380 HydrophobicContact CG2-CE2 3.37Å; I193-F380 HydrophobicContact CG2-CG 4.32Å; I193-F380 HydrophobicContact CG2-CZ 3.34Å |
| 194 | I | 92 | Very high | 83 | Confident | 78 Ų | 78 | 57.5 Ų | 57.5 | 40% | 0.4 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -59.7 | -48.7 | 175.8 | -67.6 | 174.7 | 0 | 0 | 0 | 110.3 | L190 L191 A196 G198 F380 | L190-I194 HydrophobicContact CD1-CD1 4.04Å; L190-I194 HydrophobicContact CD1-CG1 4.35Å; L190-I194 HydrophobicContact CG-CD1 4.09Å; L190-I194 WeakPolarHBondContact O-CG1 3.34Å; L190-I194 PolarHBondContact O-N 3.32Å; L191-I194 PolarHBondContact O-N 3.19Å; I194-A196 VanDerWaalsContact C-N 3.32Å; I194-A196 PolarHBondContact O-N 2.93Å; I194-G198 VanDerWaalsContact O-CA 3.31Å; I194-G198 WeakPolarHBondContact O-CA 3.34Å; I194-G198 PolarHBondContact O-N 2.73Å; I194-F380 HydrophobicContact CG1-CE1 4.42Å; I194-F380 HydrophobicContact CG1-CZ 3.72Å |
| 195 | L | 90.6 | Very high | 80.8 | Confident | 122 Ų | 122 | 59.3 Ų | 59.3 | 64% | 0.639 | 34% | 0.344 | S | S | * | . | H | α-helix | trans | -65.9 | -35.1 | -179 | -68.5 | 175.4 | 0 | 0 | 0 | 112.4 | L191 F192 | L191-L195 HydrophobicContact CD1-CD1 4.09Å; L191-L195 HydrophobicContact CD1-CG 4.12Å; L191-L195 HydrophobicContact CG-CD1 3.91Å; L191-L195 HydrophobicContact CG-CG 4.34Å; L191-L195 WeakPolarHBondContact O-CB 3.48Å; L191-L195 VanDerWaalsContact O-CG 3.27Å; L191-L195 WeakPolarHBondContact O-CG 3.13Å; L191-L195 PolarHBondContact O-N 2.95Å; F192-L195 PolarHBondContact O-N 3.38Å |
| 196 | A | 87.8 | Confident | 78.6 | Confident | 8 Ų | 8 | 60.9 Ų | 60.9 | 7% | 0.066 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -81.5 | -29 | -179.2 | 0 | 0 | 0 | 0 | 0 | 114 | F192 I193 I194 C217 V220 A222 | F192-A196 WeakPolarHBondContact O-CB 3.23Å; F192-A196 PolarHBondContact O-N 3.4Å; I193-A196 PolarHBondContact O-N 3.34Å; I194-A196 VanDerWaalsContact C-N 3.32Å; I194-A196 PolarHBondContact O-N 2.93Å; A196-C217 WeakPolarHBondContact O-CB 3.38Å; A196-V220 HydrophobicContact CB-CB 4.27Å; A196-V220 HydrophobicContact CB-CG1 4.28Å; A196-A222 HydrophobicContact CB-CB 3.7Å |
| 197 | T | 82.8 | Confident | 76.6 | Confident | 28 Ų | 28 | 72.9 Ų | 72.9 | 17% | 0.172 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -117.3 | -10.7 | -172.3 | 67.6 | 0 | 0 | 0 | 0 | 114.4 | I193 G200 A222 R335 | I193-T197 HydrophobicContact CG2-CG2 4.28Å; I193-T197 WeakPolarHBondContact O-CB 3.4Å; I193-T197 PolarHBondContact O-N 2.72Å; I193-T197 PolarHBondContact O-OG1 3.38Å; T197-G200 PolarHBondContact O-N 3.21Å; T197-A222 HydrophobicContact CG2-CB 4.28Å; T197-R335 PolarHBondContact OG1-NH2 2.79Å |
| 198 | G | 79.9 | Confident | 74.9 | Confident | 40 Ų | 40 | 75.6 Ų | 75.6 | 41% | 0.412 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 59.1 | -144.7 | -177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | I194 G200 R335 | I194-G198 VanDerWaalsContact O-CA 3.31Å; I194-G198 WeakPolarHBondContact O-CA 3.34Å; I194-G198 PolarHBondContact O-N 2.73Å; G198-G200 VanDerWaalsContact C-N 3.26Å; G198-R335 PolarHBondContact O-NH2 3.16Å |
| 199 | S | 66.5 | Low | 73 | Confident | 80 Ų | 80 | 76 Ų | 76 | 56% | 0.559 | 42% | 0.422 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.9 | -1.9 | 170.7 | 56.2 | 0 | 0 | 0 | 0 | 113.3 | D201 R335 | S199-D201 VanDerWaalsContact C-N 3.34Å; S199-R335 PolarHBondContact O-NH1 2.98Å |
| 200 | G | 64.4 | Low | 70.9 | Confident | 33 Ų | 33 | 79.4 Ų | 79.4 | 34% | 0.34 | 44% | 0.442 | S | S | . | . | S | Bend | trans | 92.1 | -16.6 | -179.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | T197 G198 D202 | T197-G200 PolarHBondContact O-N 3.21Å; G198-G200 VanDerWaalsContact C-N 3.26Å; G200-D202 PolarHBondContact O-N 3.01Å |
| 201 | D | 59.7 | Low | 68.7 | Low | 99 Ų | 99 | 81 Ų | 81 | 53% | 0.529 | 46% | 0.456 | S | S | . | . | trans | -85.9 | 100 | 173 | -69.1 | -33 | 0 | 0 | 0 | 108.7 | S199 R390 | S199-D201 VanDerWaalsContact C-N 3.34Å; D201-R390 IonicContact OD2-NH1 3.72Å | ||
| 202 | D | 53.4 | Low | 66.3 | Low | 41 Ų | 41 | 85.1 Ų | 85.1 | 22% | 0.219 | 47% | 0.465 | C | S | . | . | trans | -91.2 | 2.4 | 171.1 | -84.5 | -34.7 | 0 | 0 | 0 | 112.3 | G200 D204 R213 R214 S218 | G200-D202 PolarHBondContact O-N 3.01Å; D202-D204 PolarHBondContact O-N 2.8Å; D202-R213 HydrophobicContact CB-CG 3.97Å; D202-R213 CarbonylContact O-C 3.35Å; D202-R213 WeakPolarHBondContact O-CA 3.49Å; D202-R213 WeakPolarHBondContact O-CG 3.46Å; D202-R214 PolarHBondContact O-N 3.45Å; D202-S218 WeakPolarHBondContact OD2-CB 3.29Å | ||
| 203 | E | 51 | Low | 64 | Low | 120 Ų | 120 | 87.6 Ų | 87.6 | 56% | 0.561 | 47% | 0.472 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -91.6 | 93.9 | 179 | -71 | -165.3 | 154.4 | 0 | 0 | 112.1 | V205 R213 | E203-V205 PolarHBondContact O-N 3.4Å; E203-R213 HydrophobicContact CG-CG 4.09Å |
| 204 | D | 44.6 | Very low | 61.7 | Low | 93 Ų | 93 | 96 Ų | 96 | 50% | 0.497 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 113 | 162.1 | -74.8 | -42.3 | 0 | 0 | 0 | 108.5 | D202 N206 S211 R212 | D202-D204 PolarHBondContact O-N 2.8Å; D204-N206 PolarHBondContact O-N 3.03Å; D204-S211 CarbonylContact O-C 3.4Å; D204-S211 VanDerWaalsContact O-CA 3.24Å; D204-S211 WeakPolarHBondContact O-CA 3.39Å; D204-R212 PolarHBondContact O-N 2.76Å |
| 205 | V | 51.1 | Low | 59.5 | Low | 107 Ų | 107 | 102.1 Ų | 102.1 | 65% | 0.648 | 52% | 0.522 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -77.4 | 108 | 166.1 | -177.3 | 0 | 0 | 0 | 0 | 107.4 | E203 | E203-V205 PolarHBondContact O-N 3.4Å |
| 206 | N | 52.8 | Low | 57.3 | Low | 71 Ų | 71 | 101.3 Ų | 101.3 | 38% | 0.38 | 53% | 0.527 | S | S | . | . | trans | -60.5 | 156.7 | 170.3 | -86.3 | -28.2 | 0 | 0 | 0 | 110.1 | D204 D208 G209 T210 | D204-N206 PolarHBondContact O-N 3.03Å; N206-D208 PolarHBondContact O-N 3.27Å; N206-G209 WeakPolarHBondContact O-CA 3.16Å; N206-G209 PolarHBondContact O-N 2.84Å; N206-T210 WeakPolarHBondContact CB-O 3.03Å; N206-T210 WeakPolarHBondContact CB-OG1 3.19Å; N206-T210 PolarHBondContact N-O 3.31Å; N206-T210 PolarHBondContact ND2-OG1 2.92Å | ||
| 207 | R | 56.4 | Low | 55.4 | Low | 252 Ų | 252 | 103.9 Ų | 103.9 | 95% | 0.951 | 54% | 0.543 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.5 | -25.7 | 174.2 | -168.3 | 172.5 | 167.6 | -178.1 | -4.8 | 113.9 | G209 | R207-G209 PolarHBondContact O-N 3.26Š|
| 208 | D | 61.8 | Low | 54 | Low | 143 Ų | 143 | 105.4 Ų | 105.4 | 77% | 0.765 | 56% | 0.556 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -85.7 | 11.6 | 176.4 | -57.4 | -19.3 | 0 | 0 | 0 | 113.1 | N206 T210 | N206-D208 PolarHBondContact O-N 3.27Å; D208-T210 PolarHBondContact O-N 2.89Å |
| 209 | G | 57 | Low | 53.2 | Low | 60 Ų | 60 | 112.6 Ų | 112.6 | 62% | 0.619 | 57% | 0.57 | S | S | * | * | S | Bend | trans | 76.8 | 1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 114.5 | N206 R207 | N206-G209 WeakPolarHBondContact O-CA 3.16Å; N206-G209 PolarHBondContact O-N 2.84Å; R207-G209 PolarHBondContact O-N 3.26Å |
| 210 | T | 53.9 | Low | 53.9 | Low | 78 Ų | 78 | 111.9 Ų | 111.9 | 48% | 0.479 | 56% | 0.562 | S | S | . | * | trans | -84.3 | 114.3 | 178.9 | 52.5 | 0 | 0 | 0 | 0 | 111.1 | N206 D208 R212 | N206-T210 WeakPolarHBondContact CB-O 3.03Å; N206-T210 WeakPolarHBondContact CB-OG1 3.19Å; N206-T210 PolarHBondContact N-O 3.31Å; N206-T210 PolarHBondContact ND2-OG1 2.92Å; D208-T210 PolarHBondContact O-N 2.89Å; T210-R212 PolarHBondContact O-N 3.39Å | ||
| 211 | S | 51.5 | Low | 55 | Low | 70 Ų | 70 | 111.5 Ų | 111.5 | 49% | 0.49 | 55% | 0.554 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -73.3 | 107.1 | 174.5 | 58.3 | 0 | 0 | 0 | 0 | 110.5 | D204 | D204-S211 CarbonylContact O-C 3.4Å; D204-S211 VanDerWaalsContact O-CA 3.24Å; D204-S211 WeakPolarHBondContact O-CA 3.39Å |
| 212 | R | 46 | Very low | 56.6 | Low | 186 Ų | 186 | 106.9 Ų | 106.9 | 70% | 0.702 | 53% | 0.53 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -96.5 | 94.4 | 174 | -160.2 | 174.4 | 174.6 | 175.7 | -1.9 | 108.5 | D204 T210 R214 | D204-R212 PolarHBondContact O-N 2.76Å; T210-R212 PolarHBondContact O-N 3.39Å; R212-R214 PolarHBondContact O-N 2.99Å; R212-R214 VanDerWaalsContact O-N 3.15Å |
| 213 | R | 47.1 | Very low | 58.4 | Low | 131 Ų | 131 | 105 Ų | 105 | 49% | 0.494 | 52% | 0.52 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -56.6 | 121.4 | 177.7 | -144.8 | 173.1 | -168.2 | -156.6 | 5.2 | 109.6 | D202 E203 R215 | D202-R213 HydrophobicContact CB-CG 3.97Å; D202-R213 CarbonylContact O-C 3.35Å; D202-R213 WeakPolarHBondContact O-CA 3.49Å; D202-R213 WeakPolarHBondContact O-CG 3.46Å; E203-R213 HydrophobicContact CG-CG 4.09Å; R213-R215 PolarHBondContact O-N 3.23Å |
| 214 | R | 44.8 | Very low | 60.5 | Low | 176 Ų | 176 | 101.2 Ų | 101.2 | 66% | 0.664 | 50% | 0.503 | S | S | * | . | trans | -67 | 81 | -178.8 | -158.7 | 177.4 | -175.5 | -163.5 | 2.7 | 109.3 | D202 R212 S216 | D202-R214 PolarHBondContact O-N 3.45Å; R212-R214 PolarHBondContact O-N 2.99Å; R212-R214 VanDerWaalsContact O-N 3.15Å; R214-S216 PolarHBondContact O-N 3.42Å | ||
| 215 | R | 45.6 | Very low | 63 | Low | 206 Ų | 206 | 100.5 Ų | 100.5 | 78% | 0.777 | 50% | 0.499 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | -17.1 | -168.9 | -76.3 | -178.3 | 178.8 | 166.2 | -0.2 | 115.5 | R213 S218 | R213-R215 PolarHBondContact O-N 3.23Å; R215-S218 PolarHBondContact O-OG 3.41Å |
| 216 | S | 45.7 | Very low | 65.1 | Low | 106 Ų | 106 | 95.6 Ų | 95.6 | 74% | 0.741 | 47% | 0.469 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.9 | -42.3 | -160.4 | -155.9 | 0 | 0 | 0 | 0 | 114.6 | R214 | R214-S216 PolarHBondContact O-N 3.42Š|
| 217 | C | 47 | Very low | 67.2 | Low | 61 Ų | 61 | 93.5 Ų | 93.5 | 41% | 0.412 | 46% | 0.456 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | -17.9 | -178.1 | -80.6 | 0 | 0 | 0 | 0 | 114.1 | A196 R219 V220 | A196-C217 WeakPolarHBondContact O-CB 3.38Å; C217-R219 PolarHBondContact O-N 2.88Å; C217-V220 PolarHBondContact O-N 3.02Å |
| 218 | S | 53.3 | Low | 69.1 | Low | 61 Ų | 61 | 83.6 Ų | 83.6 | 43% | 0.427 | 43% | 0.428 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57 | -3.7 | 177.7 | 71.4 | 0 | 0 | 0 | 0 | 116.9 | D202 R215 | D202-S218 WeakPolarHBondContact OD2-CB 3.29Å; R215-S218 PolarHBondContact O-OG 3.41Å |
| 219 | R | 63.8 | Low | 70.8 | Confident | 191 Ų | 191 | 80.6 Ų | 80.6 | 72% | 0.721 | 41% | 0.412 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.4 | -21.4 | -175.4 | -80.3 | -178.6 | 178.3 | 166.1 | -1.4 | 115.3 | C217 P221 | C217-R219 PolarHBondContact O-N 2.88Å; R219-P221 VanDerWaalsContact O-CD 3.27Å; R219-P221 WeakPolarHBondContact O-CD 3.33Å |
| 220 | V | 81.3 | Confident | 72.7 | Confident | 65 Ų | 65 | 77.7 Ų | 77.7 | 39% | 0.394 | 38% | 0.382 | S | S | . | . | trans | -80.2 | 116.6 | -175.9 | -178.8 | 0 | 0 | 0 | 0 | 108.5 | F192 A196 C217 A222 I225 | F192-V220 HydrophobicContact CZ-CG1 3.95Å; A196-V220 HydrophobicContact CB-CB 4.27Å; A196-V220 HydrophobicContact CB-CG1 4.28Å; C217-V220 PolarHBondContact O-N 3.02Å; V220-A222 HydrophobicContact CG1-CB 4.48Å; V220-A222 PolarHBondContact O-N 3.15Å; V220-I225 HydrophobicContact CG1-CD1 3.81Å | ||
| 221 | P | 88.2 | Confident | 74.6 | Confident | 24 Ų | 24 | 76.5 Ų | 76.5 | 16% | 0.156 | 37% | 0.373 | C | S | . | . | trans | -78.1 | 67 | 179 | 35.3 | -36.3 | 0 | 0 | 0 | 109.6 | W33 R219 A223 L224 I225 | W33-P221 HydrophobicContact CB-CB 4.19Å; W33-P221 HydrophobicContact CB-CG 4.23Å; W33-P221 WeakPolarHBondContact O-CB 3.09Å; R219-P221 VanDerWaalsContact O-CD 3.27Å; R219-P221 WeakPolarHBondContact O-CD 3.33Å; P221-A223 VanDerWaalsContact C-N 3.34Å; P221-A223 PolarHBondContact O-N 2.85Å; P221-L224 HydrophobicContact CB-CB 4.02Å; P221-L224 HydrophobicContact CB-CD2 4.33Å; P221-L224 WeakPolarHBondContact O-CB 3.41Å; P221-L224 PolarHBondContact O-N 2.72Å; P221-I225 HydrophobicContact CG-CD1 4.24Å; P221-I225 HydrophobicContact CG-CG1 4.32Å; P221-I225 WeakPolarHBondContact O-CG1 3.47Å; P221-I225 PolarHBondContact O-N 3.25Å | ||
| 222 | A | 91.3 | Very high | 76.8 | Confident | 3 Ų | 3 | 77.4 Ų | 77.4 | 3% | 0.025 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -58.7 | -42.5 | -166.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | F192 I193 A196 T197 V220 L224 I225 V226 | F192-A222 HydrophobicContact CD1-CB 4.21Å; F192-A222 HydrophobicContact CE1-CB 3.75Å; F192-A222 HydrophobicContact CZ-CB 4.4Å; I193-A222 HydrophobicContact CG1-CB 4.09Å; A196-A222 HydrophobicContact CB-CB 3.7Å; T197-A222 HydrophobicContact CG2-CB 4.28Å; V220-A222 HydrophobicContact CG1-CB 4.48Å; V220-A222 PolarHBondContact O-N 3.15Å; A222-L224 PolarHBondContact O-N 2.64Å; A222-I225 PolarHBondContact O-N 2.96Å; A222-V226 WeakPolarHBondContact O-CB 3.25Å; A222-V226 WeakPolarHBondContact O-CG2 3.28Å; A222-V226 PolarHBondContact O-N 3.3Å |
| 223 | A | 92.2 | Very high | 79.2 | Confident | 2 Ų | 2 | 69.4 Ų | 69.4 | 2% | 0.017 | 35% | 0.346 | C | S | . | . | H | α-helix | trans | -63 | -40.3 | 175.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | V40 P221 V226 F227 F336 M377 | V40-A223 HydrophobicContact CG2-CB 3.91Å; P221-A223 VanDerWaalsContact C-N 3.34Å; P221-A223 PolarHBondContact O-N 2.85Å; A223-V226 PolarHBondContact O-N 3.16Å; A223-F227 WeakPolarHBondContact O-CB 3.07Å; A223-F227 PolarHBondContact O-N 3.08Å; A223-F336 HydrophobicContact CB-CB 3.83Å; A223-F336 HydrophobicContact CB-CD1 3.45Å; A223-F336 VanDerWaalsContact CB-CD1 3.45Å; A223-F336 HydrophobicContact CB-CD2 4Å; A223-F336 HydrophobicContact CB-CE1 3.87Å; A223-F336 HydrophobicContact CB-CE2 4.38Å; A223-F336 HydrophobicContact CB-CG 3.49Å; A223-F336 VanDerWaalsContact CB-CG 3.49Å; A223-F336 HydrophobicContact CB-CZ 4.3Å; A223-M377 HydrophobicContact CB-CE 4.43Å |
| 224 | L | 95.1 | Very high | 81.5 | Confident | 39 Ų | 39 | 63.2 Ų | 63.2 | 20% | 0.204 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -64.9 | -43 | 176.8 | -176.5 | 65.8 | 0 | 0 | 0 | 111 | W33 L36 V40 P221 A222 F227 A228 | W33-L224 HydrophobicContact CE3-CD2 4.16Å; W33-L224 HydrophobicContact CZ3-CD2 4.42Å; L36-L224 HydrophobicContact CB-CD2 3.9Å; L36-L224 HydrophobicContact CD1-CD2 4.42Å; V40-L224 HydrophobicContact CG1-CD1 4.06Å; P221-L224 HydrophobicContact CB-CB 4.02Å; P221-L224 HydrophobicContact CB-CD2 4.33Å; P221-L224 WeakPolarHBondContact O-CB 3.41Å; P221-L224 PolarHBondContact O-N 2.72Å; A222-L224 PolarHBondContact O-N 2.64Å; L224-F227 PolarHBondContact O-N 3.1Å; L224-A228 WeakPolarHBondContact O-CB 3.29Å; L224-A228 PolarHBondContact O-N 3.01Å |
| 225 | I | 96.5 | Very high | 83.9 | Confident | 79 Ų | 79 | 58.2 Ų | 58.2 | 41% | 0.405 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -62.9 | -47.7 | 177.8 | -67.1 | 167 | 0 | 0 | 0 | 110.5 | F192 V220 P221 A222 A228 L229 | F192-I225 HydrophobicContact CE1-CB 4.22Å; F192-I225 HydrophobicContact CE1-CD1 4.48Å; F192-I225 HydrophobicContact CE1-CG2 4.11Å; F192-I225 HydrophobicContact CZ-CD1 4.1Å; F192-I225 HydrophobicContact CZ-CG2 4.31Å; V220-I225 HydrophobicContact CG1-CD1 3.81Å; P221-I225 HydrophobicContact CG-CD1 4.24Å; P221-I225 HydrophobicContact CG-CG1 4.32Å; P221-I225 WeakPolarHBondContact O-CG1 3.47Å; P221-I225 PolarHBondContact O-N 3.25Å; A222-I225 PolarHBondContact O-N 2.96Å; I225-A228 PolarHBondContact O-N 3.49Å; I225-L229 WeakPolarHBondContact O-CB 3.47Å; I225-L229 PolarHBondContact O-N 3.35Å |
| 226 | V | 96.6 | Very high | 86.4 | Confident | 4 Ų | 4 | 52.5 Ų | 52.5 | 2% | 0.024 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.2 | -40.8 | 178.9 | 165.6 | 0 | 0 | 0 | 0 | 111.3 | A189 F192 I193 A222 A223 L229 G230 I373 | A189-V226 HydrophobicContact CB-CG1 3.93Å; A189-V226 HydrophobicContact CB-CG2 4.17Å; F192-V226 HydrophobicContact CD1-CG2 3.7Å; F192-V226 HydrophobicContact CE1-CG2 4.14Å; I193-V226 HydrophobicContact CD1-CB 4.46Å; I193-V226 HydrophobicContact CD1-CG1 4.45Å; I193-V226 HydrophobicContact CD1-CG2 4.16Å; I193-V226 HydrophobicContact CG1-CG2 4.13Å; A222-V226 WeakPolarHBondContact O-CB 3.25Å; A222-V226 WeakPolarHBondContact O-CG2 3.28Å; A222-V226 PolarHBondContact O-N 3.3Å; A223-V226 PolarHBondContact O-N 3.16Å; V226-L229 PolarHBondContact O-N 2.88Å; V226-G230 PolarHBondContact O-N 3.42Å; V226-I373 HydrophobicContact CG1-CB 4.37Å; V226-I373 HydrophobicContact CG1-CG1 4.2Å; V226-I373 HydrophobicContact CG1-CG2 3.4Å |
| 227 | F | 96 | Very high | 88.6 | Confident | 27 Ų | 27 | 52.1 Ų | 52.1 | 12% | 0.118 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -65.9 | -45.1 | 175.5 | 179.8 | -103.7 | 0 | 0 | 0 | 112 | V40 L43 I47 A223 L224 L229 G230 L231 F369 M377 | V40-F227 HydrophobicContact CB-CB 4.45Å; V40-F227 HydrophobicContact CB-CD1 4.46Å; V40-F227 HydrophobicContact CB-CG 4.34Å; V40-F227 HydrophobicContact CG1-CB 4.46Å; V40-F227 HydrophobicContact CG1-CD1 3.76Å; V40-F227 HydrophobicContact CG1-CE1 4.24Å; V40-F227 HydrophobicContact CG1-CG 4.13Å; V40-F227 HydrophobicContact CG2-CB 4.46Å; L43-F227 HydrophobicContact CD1-CD1 4.36Å; L43-F227 HydrophobicContact CD1-CD2 3.84Å; L43-F227 HydrophobicContact CD1-CE1 3.94Å; L43-F227 HydrophobicContact CD1-CE2 3.4Å; L43-F227 HydrophobicContact CD1-CG 4.31Å; L43-F227 HydrophobicContact CD1-CZ 3.45Å; L43-F227 VanDerWaalsContact CD1-CZ 3.45Å; I47-F227 HydrophobicContact CD1-CE2 3.98Å; A223-F227 WeakPolarHBondContact O-CB 3.07Å; A223-F227 PolarHBondContact O-N 3.08Å; L224-F227 PolarHBondContact O-N 3.1Å; F227-L229 VanDerWaalsContact C-N 3.33Å; F227-L229 PolarHBondContact O-N 2.97Å; F227-G230 WeakPolarHBondContact O-CA 3.44Å; F227-G230 PolarHBondContact O-N 3.34Å; F227-G230 VanDerWaalsContact O-N 3.09Å; F227-L231 HydrophobicContact CD1-CD1 4.11Å; F227-L231 HydrophobicContact CD1-CG 4.4Å; F227-L231 HydrophobicContact CE1-CD1 3.53Å; F227-L231 HydrophobicContact CE1-CD2 4.41Å; F227-L231 HydrophobicContact CE1-CG 3.93Å; F227-L231 HydrophobicContact CZ-CD1 4.06Å; F227-L231 HydrophobicContact CZ-CD2 4.1Å; F227-L231 HydrophobicContact CZ-CG 4.05Å; F227-L231 PolarHBondContact O-N 3.44Å; F227-F369 AromaticContact CD2-CE2 3.81Å; F227-F369 HydrophobicContact CD2-CE2 3.81Å; F227-F369 AromaticContact CD2-CZ 3.56Å; F227-F369 HydrophobicContact CD2-CZ 3.56Å; F227-F369 AromaticContact CE2-CE2 3.62Å; F227-F369 HydrophobicContact CE2-CE2 3.62Å; F227-F369 AromaticContact CE2-CZ 3.78Å; F227-F369 HydrophobicContact CE2-CZ 3.78Å; F227-F369 HydrophobicContact CG-CZ 4.47Å; F227-F369 HydrophobicContact CZ-CE2 4.35Å; F227-M377 HydrophobicContact CB-SD 4.4Å; F227-M377 HydrophobicContact CD2-SD 4.48Å |
| 228 | A | 96.4 | Very high | 90.9 | Very high | 44 Ų | 44 | 51 Ų | 51 | 36% | 0.364 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -62.4 | -39.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 111.9 | L224 I225 G230 L231 V232 | L224-A228 WeakPolarHBondContact O-CB 3.29Å; L224-A228 PolarHBondContact O-N 3.01Å; I225-A228 PolarHBondContact O-N 3.49Å; A228-G230 VanDerWaalsContact C-N 3.32Å; A228-G230 PolarHBondContact O-N 2.85Å; A228-L231 PolarHBondContact O-N 3.48Å; A228-V232 WeakPolarHBondContact O-CG2 3.3Å; A228-V232 PolarHBondContact O-N 3.06Å |
| 229 | L | 97.4 | Very high | 92.8 | Very high | 79 Ų | 79 | 52.2 Ų | 52.2 | 41% | 0.414 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -58.2 | -45.8 | 170.7 | 176.4 | 63.3 | 0 | 0 | 0 | 110.8 | L185 I225 V226 F227 L231 V232 L233 | L185-L229 HydrophobicContact CD1-CD2 4.18Å; I225-L229 WeakPolarHBondContact O-CB 3.47Å; I225-L229 PolarHBondContact O-N 3.35Å; V226-L229 PolarHBondContact O-N 2.88Å; F227-L229 VanDerWaalsContact C-N 3.33Å; F227-L229 PolarHBondContact O-N 2.97Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 2.93Å; L229-V232 PolarHBondContact O-N 2.81Å; L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.26Å; L229-L233 HydrophobicContact CG-CD1 4.09Å; L229-L233 HydrophobicContact CG-CG 4.47Å; L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 VanDerWaalsContact O-CG 3.26Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 3.37Å |
| 230 | G | 96.9 | Very high | 94.2 | Very high | 0 Ų | 0 | 45.4 Ų | 45.4 | 0% | 0 | 25% | 0.254 | C | S | . | . | H | α-helix | trans | -58 | -42.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 113.2 | V226 F227 A228 L233 C234 F369 P370 | V226-G230 PolarHBondContact O-N 3.42Å; F227-G230 WeakPolarHBondContact O-CA 3.44Å; F227-G230 PolarHBondContact O-N 3.34Å; F227-G230 VanDerWaalsContact O-N 3.09Å; A228-G230 VanDerWaalsContact C-N 3.32Å; A228-G230 PolarHBondContact O-N 2.85Å; G230-L233 PolarHBondContact O-N 3.42Å; G230-C234 PolarHBondContact O-N 2.88Å; G230-C234 VanDerWaalsContact O-N 3.13Å; G230-C234 PolarHBondContact O-SG 3.28Å; G230-F369 VanDerWaalsContact C-CE2 3.48Å; G230-P370 WeakPolarHBondContact O-CD 3.34Å |
| 231 | L | 94.7 | Very high | 94.6 | Very high | 53 Ų | 53 | 42.3 Ų | 42.3 | 28% | 0.277 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -63 | -46.2 | 175.1 | -72.5 | 180 | 0 | 0 | 0 | 112.2 | F227 A228 L229 L233 C234 F235 F369 | F227-L231 HydrophobicContact CD1-CD1 4.11Å; F227-L231 HydrophobicContact CD1-CG 4.4Å; F227-L231 HydrophobicContact CE1-CD1 3.53Å; F227-L231 HydrophobicContact CE1-CD2 4.41Å; F227-L231 HydrophobicContact CE1-CG 3.93Å; F227-L231 HydrophobicContact CZ-CD1 4.06Å; F227-L231 HydrophobicContact CZ-CD2 4.1Å; F227-L231 HydrophobicContact CZ-CG 4.05Å; F227-L231 PolarHBondContact O-N 3.44Å; A228-L231 PolarHBondContact O-N 3.48Å; L229-L231 VanDerWaalsContact C-N 3.33Å; L229-L231 PolarHBondContact O-N 2.93Å; L231-L233 VanDerWaalsContact C-N 3.27Å; L231-L233 PolarHBondContact O-N 3.07Å; L231-C234 VanDerWaalsContact O-CB 3.28Å; L231-C234 WeakPolarHBondContact O-CB 3.44Å; L231-C234 PolarHBondContact O-N 2.82Å; L231-C234 VanDerWaalsContact O-N 3.15Å; L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.16Å; L231-F369 HydrophobicContact CD2-CD2 4.05Å; L231-F369 HydrophobicContact CD2-CE2 3.99Å; L231-F369 HydrophobicContact CG-CE2 4.09Å |
| 232 | V | 96.9 | Very high | 94.8 | Very high | 89 Ų | 89 | 46.9 Ų | 46.9 | 54% | 0.539 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -59.4 | -42.8 | 176.1 | 171.9 | 0 | 0 | 0 | 0 | 110.4 | A228 L229 C234 F235 V236 | A228-V232 WeakPolarHBondContact O-CG2 3.3Å; A228-V232 PolarHBondContact O-N 3.06Å; L229-V232 PolarHBondContact O-N 2.81Å; V232-C234 VanDerWaalsContact C-N 3.25Å; V232-C234 PolarHBondContact O-N 3.49Å; V232-F235 PolarHBondContact O-N 3.47Å; V232-V236 HydrophobicContact CG1-CG2 4.43Å; V232-V236 WeakPolarHBondContact O-CG2 3.34Å; V232-V236 PolarHBondContact O-N 3.13Å |
| 233 | L | 97.2 | Very high | 94.7 | Very high | 18 Ų | 18 | 54.7 Ų | 54.7 | 9% | 0.094 | 29% | 0.294 | C | S | . | . | H | α-helix | trans | -64.4 | -25.5 | 178.7 | -71.2 | 175.7 | 0 | 0 | 0 | 113.4 | L180 L185 L229 G230 L231 F235 V236 R237 P370 | L180-L233 HydrophobicContact CB-CD2 4.45Å; L180-L233 HydrophobicContact CD2-CD2 3.97Å; L185-L233 HydrophobicContact CD1-CD1 4.3Å; L185-L233 HydrophobicContact CD2-CD1 3.53Å; L229-L233 HydrophobicContact CD1-CD1 4.27Å; L229-L233 HydrophobicContact CD1-CG 4.26Å; L229-L233 HydrophobicContact CG-CD1 4.09Å; L229-L233 HydrophobicContact CG-CG 4.47Å; L229-L233 WeakPolarHBondContact O-CB 3.33Å; L229-L233 VanDerWaalsContact O-CG 3.26Å; L229-L233 WeakPolarHBondContact O-CG 3.22Å; L229-L233 PolarHBondContact O-N 3.37Å; G230-L233 PolarHBondContact O-N 3.42Å; L231-L233 VanDerWaalsContact C-N 3.27Å; L231-L233 PolarHBondContact O-N 3.07Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 PolarHBondContact O-N 3.08Å; L233-V236 PolarHBondContact O-N 3.24Å; L233-R237 VanDerWaalsContact O-CB 3.26Å; L233-R237 WeakPolarHBondContact O-CB 3.31Å; L233-R237 WeakPolarHBondContact O-CD 3.41Å; L233-R237 WeakPolarHBondContact O-CG 3.33Å; L233-R237 PolarHBondContact O-N 3.4Å; L233-P370 HydrophobicContact CB-CG 3.88Å; L233-P370 HydrophobicContact CD1-CG 4.01Å |
| 234 | C | 95.2 | Very high | 94.4 | Very high | 0 Ų | 0 | 58.9 Ų | 58.9 | 0% | 0 | 32% | 0.316 | C | S | . | . | H | α-helix | trans | -56.2 | -51 | 173.7 | -60 | 0 | 0 | 0 | 0 | 110.6 | G230 L231 V232 V236 R237 D238 I241 I365 Q368 F369 | G230-C234 PolarHBondContact O-N 2.88Å; G230-C234 VanDerWaalsContact O-N 3.13Å; G230-C234 PolarHBondContact O-SG 3.28Å; L231-C234 VanDerWaalsContact O-CB 3.28Å; L231-C234 WeakPolarHBondContact O-CB 3.44Å; L231-C234 PolarHBondContact O-N 2.82Å; L231-C234 VanDerWaalsContact O-N 3.15Å; V232-C234 VanDerWaalsContact C-N 3.25Å; V232-C234 PolarHBondContact O-N 3.49Å; C234-V236 PolarHBondContact O-N 3.38Å; C234-R237 PolarHBondContact O-N 2.9Å; C234-D238 PolarHBondContact O-N 3.36Å; C234-D238 VanDerWaalsContact O-N 3.08Å; C234-I241 HydrophobicContact CB-CD1 4.3Å; C234-I241 VanDerWaalsContact O-CD1 3.31Å; C234-I241 WeakPolarHBondContact O-CD1 3.34Å; C234-I365 HydrophobicContact CB-CG2 4.3Å; C234-Q368 HydrophobicContact CB-CB 4.12Å; C234-F369 WeakPolarHBondContact SG-CA 3.42Å |
| 235 | F | 95.3 | Very high | 94.2 | Very high | 71 Ų | 71 | 58.1 Ų | 58.1 | 31% | 0.311 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -72.1 | -27.3 | -177.9 | -59.8 | -80.6 | 0 | 0 | 0 | 113.3 | L231 V232 L233 D238 P239 I241 L242 I365 | L231-F235 VanDerWaalsContact O-CD2 3.25Å; L231-F235 WeakPolarHBondContact O-CD2 3.16Å; V232-F235 PolarHBondContact O-N 3.47Å; L233-F235 VanDerWaalsContact C-N 3.34Å; L233-F235 PolarHBondContact O-N 3.08Å; F235-D238 CarbonylContact O-C 3.59Å; F235-P239 WeakPolarHBondContact O-CA 3.49Å; F235-I241 HydrophobicContact CD1-CG2 4.36Å; F235-I241 HydrophobicContact CE1-CG2 4.07Å; F235-L242 HydrophobicContact CD1-CD2 3.96Å; F235-L242 HydrophobicContact CD1-CG 4.29Å; F235-L242 HydrophobicContact CE1-CD2 3.89Å; F235-I365 HydrophobicContact CE1-CD1 4.45Å; F235-I365 HydrophobicContact CE1-CG1 4.39Å; F235-I365 HydrophobicContact CZ-CD1 4.07Å; F235-I365 HydrophobicContact CZ-CG1 4.23Å |
| 236 | V | 96.4 | Very high | 94 | Very high | 86 Ų | 86 | 63.9 Ų | 63.9 | 52% | 0.521 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -76.2 | -36.4 | 174.9 | -179.3 | 0 | 0 | 0 | 0 | 111.1 | L180 V232 L233 C234 | L180-V236 HydrophobicContact CD1-CB 4.4Å; L180-V236 HydrophobicContact CD1-CG1 3.77Å; V232-V236 HydrophobicContact CG1-CG2 4.43Å; V232-V236 WeakPolarHBondContact O-CG2 3.34Å; V232-V236 PolarHBondContact O-N 3.13Å; L233-V236 PolarHBondContact O-N 3.24Å; C234-V236 PolarHBondContact O-N 3.38Å |
| 237 | R | 93.6 | Very high | 93.8 | Very high | 98 Ų | 98 | 71.5 Ų | 71.5 | 37% | 0.37 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -68.7 | -40.3 | 178.3 | -75.5 | 172.1 | 65.5 | 72.6 | 10.2 | 112 | L180 D181 L233 C234 Q368 | L180-R237 HydrophobicContact CB-CG 3.5Å; L180-R237 HydrophobicContact CD1-CB 4.48Å; L180-R237 HydrophobicContact CD1-CG 3.64Å; L180-R237 HydrophobicContact CG-CG 4.23Å; D181-R237 VanDerWaalsContact CB-NH1 3.29Å; D181-R237 VanDerWaalsContact N-NH1 3.19Å; L233-R237 VanDerWaalsContact O-CB 3.26Å; L233-R237 WeakPolarHBondContact O-CB 3.31Å; L233-R237 WeakPolarHBondContact O-CD 3.41Å; L233-R237 WeakPolarHBondContact O-CG 3.33Å; L233-R237 PolarHBondContact O-N 3.4Å; C234-R237 PolarHBondContact O-N 2.9Å; R237-Q368 WeakPolarHBondContact CD-O 3.37Å; R237-Q368 PolarHBondContact NE-O 3.37Å |
| 238 | D | 94 | Very high | 93.5 | Very high | 37 Ų | 37 | 71.7 Ų | 71.7 | 20% | 0.198 | 37% | 0.371 | C | S | . | . | trans | -140.2 | 92 | 178.3 | -174.9 | 2.7 | 0 | 0 | 0 | 110.3 | C234 F235 S240 I241 Q368 | C234-D238 PolarHBondContact O-N 3.36Å; C234-D238 VanDerWaalsContact O-N 3.08Å; F235-D238 CarbonylContact O-C 3.59Å; D238-S240 PolarHBondContact O-N 2.93Å; D238-S240 VanDerWaalsContact OD1-CB 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.37Å; D238-S240 PolarHBondContact OD1-N 3.22Å; D238-S240 PolarHBondContact OD1-OG 3.09Å; D238-S240 PolarHBondContact OD2-OG 3.38Å; D238-I241 HydrophobicContact CB-CD1 4.06Å; D238-I241 HydrophobicContact CB-CG1 3.97Å; D238-I241 WeakPolarHBondContact O-CB 3.29Å; D238-I241 WeakPolarHBondContact O-CD1 3.46Å; D238-I241 WeakPolarHBondContact O-CG1 3.37Å; D238-I241 PolarHBondContact O-N 3.46Å; D238-Q368 HydrophobicContact CB-CG 3.97Å | ||
| 239 | P | 94.1 | Very high | 93.2 | Very high | 87 Ų | 87 | 73.3 Ų | 73.3 | 57% | 0.565 | 38% | 0.378 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -64.2 | -18.2 | 176.2 | -23.9 | 35.1 | 0 | 0 | 0 | 113.6 | F235 I241 L242 | F235-P239 WeakPolarHBondContact O-CA 3.49Å; P239-I241 PolarHBondContact O-N 3.43Å; P239-L242 PolarHBondContact O-N 2.92Å |
| 240 | S | 93 | Very high | 92.8 | Very high | 48 Ų | 48 | 69.9 Ų | 69.9 | 34% | 0.336 | 36% | 0.361 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -71.3 | -16.8 | -179.1 | 76.2 | 0 | 0 | 0 | 0 | 113.1 | D238 L242 Q243 D244 | D238-S240 PolarHBondContact O-N 2.93Å; D238-S240 VanDerWaalsContact OD1-CB 3.32Å; D238-S240 WeakPolarHBondContact OD1-CB 3.37Å; D238-S240 PolarHBondContact OD1-N 3.22Å; D238-S240 PolarHBondContact OD1-OG 3.09Å; D238-S240 PolarHBondContact OD2-OG 3.38Å; S240-L242 PolarHBondContact O-N 3.13Å; S240-Q243 WeakPolarHBondContact O-CB 3.43Å; S240-Q243 PolarHBondContact O-N 2.93Å; S240-D244 PolarHBondContact O-N 3.38Å |
| 241 | I | 90.7 | Very high | 92.4 | Very high | 0 Ų | 0 | 75.5 Ų | 75.5 | 0% | 0 | 40% | 0.398 | C | S | . | . | H | α-helix | trans | -45.9 | -41.8 | 171.5 | -64.3 | 168.8 | 0 | 0 | 0 | 111.2 | C234 F235 D238 P239 Q243 D244 L245 T364 I365 Q368 | C234-I241 HydrophobicContact CB-CD1 4.3Å; C234-I241 VanDerWaalsContact O-CD1 3.31Å; C234-I241 WeakPolarHBondContact O-CD1 3.34Å; F235-I241 HydrophobicContact CD1-CG2 4.36Å; F235-I241 HydrophobicContact CE1-CG2 4.07Å; D238-I241 HydrophobicContact CB-CD1 4.06Å; D238-I241 HydrophobicContact CB-CG1 3.97Å; D238-I241 WeakPolarHBondContact O-CB 3.29Å; D238-I241 WeakPolarHBondContact O-CD1 3.46Å; D238-I241 WeakPolarHBondContact O-CG1 3.37Å; D238-I241 PolarHBondContact O-N 3.46Å; P239-I241 PolarHBondContact O-N 3.43Å; I241-Q243 PolarHBondContact O-N 3.44Å; I241-D244 PolarHBondContact O-N 2.83Å; I241-D244 VanDerWaalsContact O-N 3.15Å; I241-L245 HydrophobicContact CG2-CD1 4.2Å; I241-L245 HydrophobicContact CG2-CG 4.14Å; I241-L245 VanDerWaalsContact O-CG 3.28Å; I241-L245 WeakPolarHBondContact O-CG 3.4Å; I241-L245 PolarHBondContact O-N 3.42Å; I241-T364 HydrophobicContact CG1-CG2 4.23Å; I241-T364 HydrophobicContact CG2-CG2 4.41Å; I241-I365 HydrophobicContact CG2-CG1 3.58Å; I241-Q368 HydrophobicContact CD1-CB 3.95Å; I241-Q368 HydrophobicContact CD1-CG 3.77Å; I241-Q368 HydrophobicContact CG1-CG 4.26Å |
| 242 | L | 90.7 | Very high | 92.1 | Very high | 120 Ų | 120 | 77.9 Ų | 77.9 | 63% | 0.628 | 41% | 0.41 | S | S | * | . | H | α-helix | trans | -61.6 | -26 | -177.9 | -67.5 | 176.8 | 0 | 0 | 0 | 113.6 | F235 P239 S240 L245 | F235-L242 HydrophobicContact CD1-CD2 3.96Å; F235-L242 HydrophobicContact CD1-CG 4.29Å; F235-L242 HydrophobicContact CE1-CD2 3.89Å; P239-L242 PolarHBondContact O-N 2.92Å; S240-L242 PolarHBondContact O-N 3.13Å; L242-L245 HydrophobicContact CD2-CD1 4.33Å |
| 243 | Q | 90.4 | Very high | 91.9 | Very high | 167 Ų | 167 | 75.5 Ų | 75.5 | 78% | 0.78 | 40% | 0.404 | S | S | * | . | H | α-helix | trans | -85.9 | -32.3 | 178.4 | -57.9 | 178.7 | 9.4 | 0 | 0 | 111.7 | S240 I241 | S240-Q243 WeakPolarHBondContact O-CB 3.43Å; S240-Q243 PolarHBondContact O-N 2.93Å; I241-Q243 PolarHBondContact O-N 3.44Å |
| 244 | D | 86.2 | Confident | 91.8 | Very high | 91 Ų | 91 | 80.9 Ų | 80.9 | 49% | 0.487 | 43% | 0.432 | S | S | . | . | H | α-helix | trans | -83.9 | -12.2 | -179.2 | -70.1 | -26.2 | 0 | 0 | 0 | 113.7 | S240 I241 R246 T364 | S240-D244 PolarHBondContact O-N 3.38Å; I241-D244 PolarHBondContact O-N 2.83Å; I241-D244 VanDerWaalsContact O-N 3.15Å; D244-R246 PolarHBondContact O-N 2.86Å; D244-T364 HydrophobicContact CB-CG2 4.31Å |
| 245 | L | 90.3 | Very high | 91.9 | Very high | 22 Ų | 22 | 82.3 Ų | 82.3 | 12% | 0.115 | 44% | 0.441 | C | S | . | . | trans | -65.8 | 127.4 | 177.4 | -79.2 | 171.1 | 0 | 0 | 0 | 111.6 | I241 L242 F358 I365 | I241-L245 HydrophobicContact CG2-CD1 4.2Å; I241-L245 HydrophobicContact CG2-CG 4.14Å; I241-L245 VanDerWaalsContact O-CG 3.28Å; I241-L245 WeakPolarHBondContact O-CG 3.4Å; I241-L245 PolarHBondContact O-N 3.42Å; L242-L245 HydrophobicContact CD2-CD1 4.33Å; L245-F358 HydrophobicContact CD1-CD1 4.48Å; L245-F358 HydrophobicContact CD1-CE1 4.14Å; L245-F358 HydrophobicContact CD2-CD1 3.81Å; L245-F358 HydrophobicContact CD2-CE1 4.28Å; L245-F358 HydrophobicContact CD2-CG 4.41Å; L245-I365 HydrophobicContact CD1-CD1 4.18Å; L245-I365 HydrophobicContact CD2-CD1 3.66Å; L245-I365 HydrophobicContact CD2-CG1 4.09Å; L245-I365 HydrophobicContact CG-CD1 4.48Å | ||
| 246 | R | 91.5 | Very high | 91.9 | Very high | 201 Ų | 201 | 88 Ų | 88 | 76% | 0.758 | 47% | 0.465 | S | S | * | . | trans | -108.4 | 126.5 | 173.9 | -62.6 | -170.8 | 179.2 | -152.7 | -0 | 109 | D244 S361 | D244-R246 PolarHBondContact O-N 2.86Å; R246-S361 PolarHBondContact N-OG 2.82Å; R246-S361 VanDerWaalsContact N-OG 3.09Å; R246-S361 PolarHBondContact O-OG 3.25Å | ||
| 247 | F | 92.6 | Very high | 92 | Very high | 164 Ų | 164 | 86 Ų | 86 | 72% | 0.719 | 45% | 0.451 | S | S | * | . | trans | -82.9 | 141 | 176.9 | -68.4 | -81.8 | 0 | 0 | 0 | 111.4 | V357 F358 | F247-V357 CarbonylContact C-O 3.52Å; F247-V357 VanDerWaalsContact CA-O 3.25Å; F247-V357 WeakPolarHBondContact CA-O 3.29Å; F247-V357 HydrophobicContact CD1-CG1 3.87Å; F247-V357 HydrophobicContact CE1-CG1 4.07Å; F247-F358 HydrophobicContact CD1-CE1 4.4Å; F247-F358 HydrophobicContact CE1-CD1 4.4Å; F247-F358 AromaticContact CE1-CE1 3.84Å; F247-F358 HydrophobicContact CE1-CE1 3.84Å; F247-F358 HydrophobicContact CZ-CE1 4.44Å | ||
| 248 | G | 89.8 | Confident | 92.2 | Very high | 30 Ų | 30 | 84.9 Ų | 84.9 | 31% | 0.309 | 46% | 0.455 | S | S | . | . | S | Bend | trans | 116.7 | 159 | 176.4 | 0 | 0 | 0 | 0 | 0 | 113.3 | L356 V357 F358 G359 | G248-L356 CarbonylContact C-O 3.49Å; G248-L356 VanDerWaalsContact C-O 3.24Å; G248-V357 PolarHBondContact N-O 2.97Å; G248-F358 CarbonylContact O-C 3.24Å; G248-G359 PolarHBondContact O-N 2.83Å |
| 249 | P | 91.2 | Very high | 92.3 | Very high | 78 Ų | 78 | 93.1 Ų | 93.1 | 51% | 0.506 | 48% | 0.484 | S | S | . | . | P | Polyproline II helix | trans | -68.9 | 153.3 | 177.4 | 29.4 | -34.3 | 0 | 0 | 0 | 110.6 | I66 L356 | I66-P249 HydrophobicContact CD1-CB 4.4Å; P249-L356 HydrophobicContact CB-CD2 4.28Å; P249-L356 WeakPolarHBondContact CD-O 3.36Å; P249-L356 VanDerWaalsContact N-O 3.12Å |
| 250 | A | 87.5 | Confident | 92.5 | Very high | 8 Ų | 8 | 93.6 Ų | 93.6 | 7% | 0.066 | 48% | 0.481 | C | S | . | . | P | Polyproline II helix | trans | -62.7 | 141.7 | 166.8 | 0 | 0 | 0 | 0 | 0 | 110.2 | D60 L252 | D60-A250 WeakPolarHBondContact OD1-CB 3.29Å; D60-A250 WeakPolarHBondContact OD2-CB 3.34Å; A250-L252 PolarHBondContact O-N 3.5Å |
| 251 | P | 88.8 | Confident | 92.7 | Very high | 118 Ų | 118 | 92.4 Ų | 92.4 | 77% | 0.766 | 47% | 0.471 | S | S | * | . | P | Polyproline II helix | trans | -65.2 | 120.3 | 177.3 | 27.1 | -33 | 0 | 0 | 0 | 109.9 | G253 | P251-G253 PolarHBondContact O-N 3.26Š|
| 252 | L | 89.7 | Confident | 93.1 | Very high | 102 Ų | 102 | 95.9 Ų | 95.9 | 53% | 0.534 | 49% | 0.486 | S | S | . | . | P | Polyproline II helix | trans | -72.2 | 119.1 | 175.7 | -67.2 | 175.6 | 0 | 0 | 0 | 109.7 | T63 F67 A250 | T63-L252 HydrophobicContact CG2-CD2 3.87Å; F67-L252 HydrophobicContact CE2-CD2 4.04Å; A250-L252 PolarHBondContact O-N 3.5Å |
| 253 | G | 91.1 | Very high | 93.4 | Very high | 40 Ų | 40 | 95.7 Ų | 95.7 | 41% | 0.412 | 48% | 0.481 | S | S | . | . | trans | -123.5 | 149.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | P251 F318 | P251-G253 PolarHBondContact O-N 3.26Å; G253-F318 WeakPolarHBondContact O-CA 3.25Å | ||
| 254 | L | 96.1 | Very high | 93.8 | Very high | 131 Ų | 131 | 90.5 Ų | 90.5 | 69% | 0.686 | 46% | 0.457 | S | S | * | . | trans | -79.7 | 128.2 | 169.9 | -72.3 | 169.6 | 0 | 0 | 0 | 109.8 | K256 W317 F318 | L254-K256 PolarHBondContact O-N 2.9Å; L254-W317 CarbonylContact C-O 3.57Å; L254-W317 WeakPolarHBondContact CA-O 3.41Å; L254-W317 HydrophobicContact CD2-CB 4.24Å; L254-F318 HydrophobicContact CD2-CD1 4.25Å; L254-F318 HydrophobicContact CD2-CE1 3.97Å; L254-F318 HydrophobicContact CD2-CZ 4.32Å | ||
| 255 | V | 96.1 | Very high | 94.3 | Very high | 30 Ų | 30 | 86.1 Ų | 86.1 | 18% | 0.182 | 43% | 0.434 | C | S | . | . | trans | -73.7 | 124.1 | 175.1 | -178 | 0 | 0 | 0 | 0 | 108.7 | P104 M107 I257 W317 G319 | P104-V255 HydrophobicContact CB-CG1 4.15Å; P104-V255 HydrophobicContact CG-CG1 4.01Å; M107-V255 HydrophobicContact CG-CG1 4.31Å; M107-V255 HydrophobicContact CG-CG2 4.24Å; V255-I257 HydrophobicContact CB-CG1 4.41Å; V255-I257 HydrophobicContact CG1-CG1 3.87Å; V255-I257 PolarHBondContact O-N 3.45Å; V255-W317 PolarHBondContact N-O 3.32Å; V255-G319 VanDerWaalsContact CG2-CA 3.49Å; V255-G319 VanDerWaalsContact CG2-N 3.31Å | ||
| 256 | K | 97 | Very high | 94.6 | Very high | 189 Ų | 189 | 87.9 Ų | 87.9 | 82% | 0.822 | 44% | 0.441 | S | S | * | . | trans | -79.7 | 110.8 | 172.1 | -64.5 | -179.3 | -178 | 178.1 | 0 | 108.2 | L254 | L254-K256 PolarHBondContact O-N 2.9Š| ||
| 257 | I | 97 | Very high | 94.9 | Very high | 44 Ų | 44 | 86.5 Ų | 86.5 | 23% | 0.226 | 44% | 0.436 | C | S | . | . | trans | -108.2 | 119.7 | -179.2 | -58.1 | 174.3 | 0 | 0 | 0 | 107.9 | P104 M107 L111 V255 D261 W317 | P104-I257 HydrophobicContact CB-CG1 4.42Å; M107-I257 HydrophobicContact CB-CD1 3.99Å; L111-I257 HydrophobicContact CD1-CD1 3.66Å; V255-I257 HydrophobicContact CB-CG1 4.41Å; V255-I257 HydrophobicContact CG1-CG1 3.87Å; V255-I257 PolarHBondContact O-N 3.45Å; I257-D261 HydrophobicContact CG2-CB 4Å; I257-W317 HydrophobicContact CD1-CE3 4.4Å; I257-W317 HydrophobicContact CD1-CZ3 4.28Å | ||
| 258 | T | 97.9 | Very high | 94.9 | Very high | 75 Ų | 75 | 82.7 Ų | 82.7 | 46% | 0.46 | 42% | 0.42 | S | S | . | . | trans | -83.1 | 166.2 | 173.2 | 69.4 | 0 | 0 | 0 | 0 | 110.9 | D260 D261 F262 | T258-D260 PolarHBondContact O-N 3.2Å; T258-D260 PolarHBondContact OG1-N 2.99Å; T258-D261 WeakPolarHBondContact CB-OD2 3.34Å; T258-D261 PolarHBondContact N-OD2 3.28Å; T258-D261 WeakPolarHBondContact O-CB 3.49Å; T258-D261 PolarHBondContact O-N 3.42Å; T258-D261 PolarHBondContact OG1-N 2.87Å; T258-D261 VanDerWaalsContact OG1-N 3.1Å; T258-D261 PolarHBondContact OG1-OD2 3.27Å; T258-F262 PolarHBondContact O-N 2.91Å; T258-F262 VanDerWaalsContact O-N 3.08Å | ||
| 259 | W | 97.4 | Very high | 95.1 | Very high | 211 Ų | 211 | 81.3 Ų | 81.3 | 80% | 0.799 | 41% | 0.406 | S | S | * | . | H | α-helix | trans | -62.6 | -31.7 | 172.7 | -75 | 114.6 | 0 | 0 | 0 | 112.9 | F262 K263 | W259-F262 PolarHBondContact O-N 3.19Å; W259-K263 WeakPolarHBondContact O-CG 3.46Å; W259-K263 PolarHBondContact O-N 3.46Å |
| 260 | D | 97.8 | Very high | 95.4 | Very high | 96 Ų | 96 | 77.6 Ų | 77.6 | 51% | 0.513 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -74.2 | -37 | 178 | -65.2 | -35.9 | 0 | 0 | 0 | 111.4 | T258 F262 K263 I264 | T258-D260 PolarHBondContact O-N 3.2Å; T258-D260 PolarHBondContact OG1-N 2.99Å; D260-F262 PolarHBondContact O-N 3.26Å; D260-K263 PolarHBondContact O-N 2.87Å; D260-K263 IonicContact OD1-NZ 2.84Å; D260-K263 PolarHBondContact OD1-NZ 3.35Å; D260-I264 WeakPolarHBondContact O-CG1 3.48Å; D260-I264 PolarHBondContact O-N 3.5Å |
| 261 | D | 97.7 | Very high | 95.7 | Very high | 23 Ų | 23 | 80 Ų | 80 | 12% | 0.123 | 40% | 0.395 | C | S | . | . | H | α-helix | trans | -56.4 | -44.2 | 168.9 | -62.4 | -50.3 | 0 | 0 | 0 | 110.7 | P104 Q105 S108 I257 T258 K263 I264 G265 | P104-D261 HydrophobicContact CB-CB 4.06Å; Q105-D261 HydrophobicContact CG-CB 4.09Å; S108-D261 PolarHBondContact OG-O 2.68Å; I257-D261 HydrophobicContact CG2-CB 4Å; T258-D261 WeakPolarHBondContact CB-OD2 3.34Å; T258-D261 PolarHBondContact N-OD2 3.28Å; T258-D261 WeakPolarHBondContact O-CB 3.49Å; T258-D261 PolarHBondContact O-N 3.42Å; T258-D261 PolarHBondContact OG1-N 2.87Å; T258-D261 VanDerWaalsContact OG1-N 3.1Å; T258-D261 PolarHBondContact OG1-OD2 3.27Å; D261-K263 PolarHBondContact O-N 2.91Å; D261-I264 PolarHBondContact O-N 3.04Å; D261-G265 PolarHBondContact O-N 3.25Å |
| 262 | F | 97.9 | Very high | 95.8 | Very high | 73 Ų | 73 | 77.1 Ų | 77.1 | 32% | 0.32 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -63.3 | -40.8 | 178.6 | -164.8 | -88.7 | 0 | 0 | 0 | 113 | A112 T258 W259 D260 F266 | A112-F262 HydrophobicContact CB-CZ 4.31Å; T258-F262 PolarHBondContact O-N 2.91Å; T258-F262 VanDerWaalsContact O-N 3.08Å; W259-F262 PolarHBondContact O-N 3.19Å; D260-F262 PolarHBondContact O-N 3.26Å; F262-F266 WeakPolarHBondContact O-CB 3.22Å; F262-F266 PolarHBondContact O-N 3.09Å |
| 263 | K | 98.1 | Very high | 96.1 | Very high | 117 Ų | 117 | 72.3 Ų | 72.3 | 51% | 0.509 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.2 | -48.3 | 176.1 | -69.6 | 170.1 | -164.6 | 156.7 | 0 | 111.4 | W259 D260 D261 F266 W267 | W259-K263 WeakPolarHBondContact O-CG 3.46Å; W259-K263 PolarHBondContact O-N 3.46Å; D260-K263 PolarHBondContact O-N 2.87Å; D260-K263 IonicContact OD1-NZ 2.84Å; D260-K263 PolarHBondContact OD1-NZ 3.35Å; D261-K263 PolarHBondContact O-N 2.91Å; K263-F266 PolarHBondContact O-N 3.38Å; K263-W267 VanDerWaalsContact O-CD1 3.23Å; K263-W267 PolarHBondContact O-N 2.9Å; K263-W267 VanDerWaalsContact O-N 3.08Å |
| 264 | I | 97.2 | Very high | 96.2 | Very high | 57 Ų | 57 | 71.9 Ų | 71.9 | 29% | 0.292 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -64.1 | -51.3 | -179.2 | -66.5 | 168.2 | 0 | 0 | 0 | 109.6 | L101 Q105 D260 D261 F266 W267 E268 | L101-I264 HydrophobicContact CD2-CG2 3.9Å; Q105-I264 HydrophobicContact CB-CG2 4.47Å; Q105-I264 HydrophobicContact CG-CB 4.18Å; Q105-I264 HydrophobicContact CG-CG2 4.02Å; D260-I264 WeakPolarHBondContact O-CG1 3.48Å; D260-I264 PolarHBondContact O-N 3.5Å; D261-I264 PolarHBondContact O-N 3.04Å; I264-F266 VanDerWaalsContact C-N 3.28Å; I264-F266 PolarHBondContact O-N 3.48Å; I264-W267 PolarHBondContact O-N 2.87Å; I264-E268 HydrophobicContact CG2-CG 4.38Å; I264-E268 WeakPolarHBondContact O-CB 3.34Å; I264-E268 PolarHBondContact O-N 2.83Å |
| 265 | G | 97.6 | Very high | 96 | Very high | 0 Ų | 0 | 67.5 Ų | 67.5 | 0% | 0 | 32% | 0.319 | C | S | . | . | I | π-helix | trans | -61.9 | -34.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.2 | Q105 S108 A109 D261 G269 A270 | Q105-G265 WeakPolarHBondContact O-CA 3.28Å; S108-G265 WeakPolarHBondContact OG-CA 3.18Å; A109-G265 WeakPolarHBondContact CA-O 3.15Å; A109-G265 WeakPolarHBondContact CB-O 3.31Å; D261-G265 PolarHBondContact O-N 3.25Å; G265-G269 CarbonylContact O-C 3.6Å; G265-G269 VanDerWaalsContact O-CA 3.24Å; G265-G269 WeakPolarHBondContact O-CA 3.33Å; G265-G269 PolarHBondContact O-N 3.22Å; G265-A270 PolarHBondContact O-N 3.47Å |
| 266 | F | 97.6 | Very high | 95.8 | Very high | 58 Ų | 58 | 67.5 Ų | 67.5 | 25% | 0.254 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -63.4 | -55.3 | 173.6 | -178.8 | -91.7 | 0 | 0 | 0 | 111.8 | A112 I116 F262 K263 I264 A270 V271 | A112-F266 HydrophobicContact CB-CD2 3.79Å; I116-F266 HydrophobicContact CD1-CE2 4.32Å; F262-F266 WeakPolarHBondContact O-CB 3.22Å; F262-F266 PolarHBondContact O-N 3.09Å; K263-F266 PolarHBondContact O-N 3.38Å; I264-F266 VanDerWaalsContact C-N 3.28Å; I264-F266 PolarHBondContact O-N 3.48Å; F266-A270 WeakPolarHBondContact O-CB 3.49Å; F266-A270 PolarHBondContact O-N 3.35Å; F266-V271 HydrophobicContact CD1-CG2 4.25Å; F266-V271 HydrophobicContact CE1-CG2 3.88Å; F266-V271 HydrophobicContact CZ-CG2 4.27Å; F266-V271 WeakPolarHBondContact O-CG2 3.18Å; F266-V271 PolarHBondContact O-N 3.38Å |
| 267 | W | 96.2 | Very high | 95.7 | Very high | 173 Ų | 173 | 58.5 Ų | 58.5 | 66% | 0.655 | 28% | 0.279 | S | S | * | . | I | π-helix | trans | -75.1 | -41.6 | -173.2 | -72.6 | 116.3 | 0 | 0 | 0 | 113.5 | K263 I264 V271 | K263-W267 VanDerWaalsContact O-CD1 3.23Å; K263-W267 PolarHBondContact O-N 2.9Å; K263-W267 VanDerWaalsContact O-N 3.08Å; I264-W267 PolarHBondContact O-N 2.87Å; W267-V271 HydrophobicContact CE3-CG2 3.9Å; W267-V271 HydrophobicContact CZ3-CG2 4.16Å |
| 268 | E | 94.2 | Very high | 95.6 | Very high | 84 Ų | 84 | 57.5 Ų | 57.5 | 39% | 0.393 | 28% | 0.275 | S | S | . | . | I | π-helix | trans | -89.4 | -32.1 | -175.2 | -60.7 | -172.7 | -160.2 | 0 | 0 | 112.4 | V94 L101 I264 P272 | V94-E268 HydrophobicContact CG1-CB 4.36Å; L101-E268 HydrophobicContact CD2-CB 4.21Å; L101-E268 WeakPolarHBondContact CD2-OE2 3.3Å; I264-E268 HydrophobicContact CG2-CG 4.38Å; I264-E268 WeakPolarHBondContact O-CB 3.34Å; I264-E268 PolarHBondContact O-N 2.83Å; E268-P272 WeakPolarHBondContact O-CG 3.36Å |
| 269 | G | 94 | Very high | 95.4 | Very high | 0 Ų | 0 | 54.3 Ų | 54.3 | 0% | 0 | 26% | 0.255 | C | S | . | . | I | π-helix | trans | -100.5 | -56.9 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.6 | G265 Q273 | G265-G269 CarbonylContact O-C 3.6Å; G265-G269 VanDerWaalsContact O-CA 3.24Å; G265-G269 WeakPolarHBondContact O-CA 3.33Å; G265-G269 PolarHBondContact O-N 3.22Å; G269-Q273 VanDerWaalsContact O-CB 3.24Å; G269-Q273 WeakPolarHBondContact O-CB 3.38Å; G269-Q273 PolarHBondContact O-N 3.42Å |
| 270 | A | 96.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 44.5 Ų | 44.5 | 0% | 0 | 22% | 0.218 | C | C | . | . | I | π-helix | trans | -72.1 | -48.6 | -169.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | A112 V113 G265 F266 Q273 L274 | A112-A270 HydrophobicContact CB-CB 3.64Å; V113-A270 HydrophobicContact CG2-CB 3.77Å; G265-A270 PolarHBondContact O-N 3.47Å; F266-A270 WeakPolarHBondContact O-CB 3.49Å; F266-A270 PolarHBondContact O-N 3.35Å; A270-Q273 CarbonylContact O-C 3.44Å; A270-Q273 PolarHBondContact O-N 3.32Å; A270-L274 WeakPolarHBondContact O-CG 3.13Å; A270-L274 PolarHBondContact O-N 3.27Å |
| 271 | V | 94.3 | Very high | 95.1 | Very high | 58 Ų | 58 | 40 Ų | 40 | 35% | 0.352 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -55.7 | -48.5 | -177.5 | 168.4 | 0 | 0 | 0 | 0 | 112.4 | F266 W267 Q273 P275 | F266-V271 HydrophobicContact CD1-CG2 4.25Å; F266-V271 HydrophobicContact CE1-CG2 3.88Å; F266-V271 HydrophobicContact CZ-CG2 4.27Å; F266-V271 WeakPolarHBondContact O-CG2 3.18Å; F266-V271 PolarHBondContact O-N 3.38Å; W267-V271 HydrophobicContact CE3-CG2 3.9Å; W267-V271 HydrophobicContact CZ3-CG2 4.16Å; V271-Q273 VanDerWaalsContact C-N 3.31Å; V271-Q273 PolarHBondContact O-N 2.87Å; V271-P275 VanDerWaalsContact O-CD 3.23Å; V271-P275 WeakPolarHBondContact O-CD 3.33Å |
| 272 | P | 90.9 | Very high | 95.1 | Very high | 59 Ų | 59 | 38.9 Ų | 38.9 | 38% | 0.383 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.9 | -30.7 | 175.1 | -25 | 37.2 | 0 | 0 | 0 | 114 | S90 E268 | S90-P272 WeakPolarHBondContact OG-CB 3.44Å; E268-P272 WeakPolarHBondContact O-CG 3.36Å |
| 273 | Q | 95.1 | Very high | 95 | Very high | 1 Ų | 1 | 35.5 Ų | 35.5 | 1% | 0.005 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -78.5 | -29.1 | -178.3 | -178.6 | 60.4 | 52.4 | 0 | 0 | 113.3 | M88 I91 V113 G269 A270 V271 L276 S277 | M88-Q273 HydrophobicContact CB-CG 4.17Å; M88-Q273 HydrophobicContact CG-CG 4.23Å; M88-Q273 HydrophobicContact SD-CG 3.58Å; M88-Q273 VanDerWaalsContact SD-CG 3.58Å; I91-Q273 HydrophobicContact CD1-CB 4.25Å; I91-Q273 HydrophobicContact CD1-CG 3.98Å; I91-Q273 HydrophobicContact CG1-CB 3.85Å; I91-Q273 HydrophobicContact CG1-CG 3.92Å; V113-Q273 HydrophobicContact CG2-CB 4.17Å; V113-Q273 HydrophobicContact CG2-CG 4.06Å; G269-Q273 VanDerWaalsContact O-CB 3.24Å; G269-Q273 WeakPolarHBondContact O-CB 3.38Å; G269-Q273 PolarHBondContact O-N 3.42Å; A270-Q273 CarbonylContact O-C 3.44Å; A270-Q273 PolarHBondContact O-N 3.32Å; V271-Q273 VanDerWaalsContact C-N 3.31Å; V271-Q273 PolarHBondContact O-N 2.87Å; Q273-L276 PolarHBondContact O-N 3.18Å; Q273-L276 VanDerWaalsContact O-N 3.15Å; Q273-S277 PolarHBondContact NE2-OG 2.9Å; Q273-S277 PolarHBondContact O-N 3.09Å; Q273-S277 PolarHBondContact O-OG 3.44Å |
| 274 | L | 94.6 | Very high | 94.9 | Very high | 31 Ų | 31 | 30 Ų | 30 | 16% | 0.162 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -55.9 | -51.5 | -175.6 | -79.5 | 169.2 | 0 | 0 | 0 | 113.2 | V113 I116 A270 L276 S277 V278 | V113-L274 HydrophobicContact CG1-CD2 4.34Å; V113-L274 HydrophobicContact CG2-CD2 4.28Å; V113-L274 HydrophobicContact CG2-CG 4.41Å; I116-L274 HydrophobicContact CB-CD2 3.9Å; I116-L274 HydrophobicContact CD1-CD1 3.52Å; I116-L274 HydrophobicContact CD1-CD2 3.89Å; I116-L274 HydrophobicContact CD1-CG 4.29Å; I116-L274 HydrophobicContact CG2-CD2 3.69Å; A270-L274 WeakPolarHBondContact O-CG 3.13Å; A270-L274 PolarHBondContact O-N 3.27Å; L274-L276 VanDerWaalsContact C-N 3.28Å; L274-L276 PolarHBondContact O-N 2.83Å; L274-S277 PolarHBondContact O-N 2.79Å; L274-V278 WeakPolarHBondContact O-CG2 3.33Å; L274-V278 PolarHBondContact O-N 3.38Å |
| 275 | P | 91.6 | Very high | 94.9 | Very high | 39 Ų | 39 | 27.2 Ų | 27.2 | 25% | 0.253 | 14% | 0.135 | S | C | . | . | H | α-helix | trans | -57.2 | -42.4 | 176.5 | -25.7 | 35.1 | 0 | 0 | 0 | 112.4 | V271 L279 A415 | V271-P275 VanDerWaalsContact O-CD 3.23Å; V271-P275 WeakPolarHBondContact O-CD 3.33Å; P275-L279 VanDerWaalsContact O-CB 3.29Å; P275-L279 WeakPolarHBondContact O-CB 2.91Å; P275-L279 WeakPolarHBondContact O-CG 3.37Å; P275-L279 PolarHBondContact O-N 2.73Å; P275-A415 HydrophobicContact CB-CB 3.84Å; P275-A415 HydrophobicContact CG-CB 3.83Å |
| 276 | L | 91.2 | Very high | 95 | Very high | 29 Ų | 29 | 27.2 Ų | 27.2 | 15% | 0.152 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -67.9 | -40.7 | -178.9 | -165.1 | 65 | 0 | 0 | 0 | 111.5 | K89 Q273 L274 N280 S281 A414 | K89-L276 HydrophobicContact CB-CD2 4.19Å; Q273-L276 PolarHBondContact O-N 3.18Å; Q273-L276 VanDerWaalsContact O-N 3.15Å; L274-L276 VanDerWaalsContact C-N 3.28Å; L274-L276 PolarHBondContact O-N 2.83Å; L276-N280 HydrophobicContact CD1-CB 4.15Å; L276-N280 HydrophobicContact CG-CB 4.4Å; L276-N280 WeakPolarHBondContact O-CA 3.21Å; L276-N280 WeakPolarHBondContact O-CB 3.25Å; L276-N280 PolarHBondContact O-N 2.92Å; L276-S281 PolarHBondContact O-N 3.27Å; L276-A414 HydrophobicContact CD1-CB 3.91Å |
| 277 | S | 95 | Very high | 94.9 | Very high | 0 Ų | 0 | 26.5 Ų | 26.5 | 0% | 0 | 13% | 0.132 | C | C | . | . | I | π-helix | trans | -67 | -43.6 | 176.8 | -66.2 | 0 | 0 | 0 | 0 | 112.3 | Q273 L274 S281 V282 | Q273-S277 PolarHBondContact NE2-OG 2.9Å; Q273-S277 PolarHBondContact O-N 3.09Å; Q273-S277 PolarHBondContact O-OG 3.44Å; L274-S277 PolarHBondContact O-N 2.79Å; S277-S281 CarbonylContact O-C 3.43Å; S277-S281 WeakPolarHBondContact O-CA 3.32Å; S277-S281 WeakPolarHBondContact O-CB 3.45Å; S277-S281 PolarHBondContact O-N 3.15Å; S277-S281 VanDerWaalsContact O-N 3.09Å; S277-V282 PolarHBondContact O-N 2.86Å |
| 278 | V | 95.3 | Very high | 94.9 | Very high | 23 Ų | 23 | 18.4 Ų | 18.4 | 14% | 0.139 | 10% | 0.101 | C | C | . | . | I | π-helix | trans | -62.1 | -56.8 | 176.7 | 173.7 | 0 | 0 | 0 | 0 | 109.4 | L117 L120 M126 L274 V282 I283 | L117-V278 HydrophobicContact CD2-CG2 3.97Å; L120-V278 HydrophobicContact CD1-CG2 4.36Å; M126-V278 HydrophobicContact CE-CG1 4.22Å; M126-V278 HydrophobicContact CE-CG2 3.99Å; M126-V278 HydrophobicContact SD-CG1 3.93Å; L274-V278 WeakPolarHBondContact O-CG2 3.33Å; L274-V278 PolarHBondContact O-N 3.38Å; V278-V282 WeakPolarHBondContact O-CB 3.24Å; V278-V282 PolarHBondContact O-N 3.11Å; V278-I283 HydrophobicContact CG1-CG1 4.34Å; V278-I283 WeakPolarHBondContact O-CG1 3.32Å; V278-I283 PolarHBondContact O-N 2.86Å |
| 279 | L | 93.6 | Very high | 95.1 | Very high | 9 Ų | 9 | 14.6 Ų | 14.6 | 5% | 0.047 | 8% | 0.084 | C | C | . | . | I | π-helix | trans | -75 | -46.1 | -169.8 | -59.9 | 170.9 | 0 | 0 | 0 | 112.8 | L133 V141 P275 A284 F418 | L133-L279 HydrophobicContact CD1-CD2 3.88Å; V141-L279 HydrophobicContact CG1-CB 4.1Å; V141-L279 HydrophobicContact CG2-CB 4.42Å; V141-L279 HydrophobicContact CG2-CD1 4.34Å; P275-L279 VanDerWaalsContact O-CB 3.29Å; P275-L279 WeakPolarHBondContact O-CB 2.91Å; P275-L279 WeakPolarHBondContact O-CG 3.37Å; P275-L279 PolarHBondContact O-N 2.73Å; L279-A284 WeakPolarHBondContact O-CB 3.46Å; L279-A284 PolarHBondContact O-N 3.32Å; L279-F418 HydrophobicContact CD1-CB 3.58Å; L279-F418 HydrophobicContact CD1-CD1 3.95Å; L279-F418 HydrophobicContact CD1-CD2 3.53Å; L279-F418 HydrophobicContact CD1-CE1 4.49Å; L279-F418 HydrophobicContact CD1-CE2 4.13Å; L279-F418 HydrophobicContact CD1-CG 3.4Å; L279-F418 VanDerWaalsContact CD1-CG 3.4Å; L279-F418 HydrophobicContact CD2-CD2 3.5Å; L279-F418 HydrophobicContact CD2-CE1 4.33Å; L279-F418 HydrophobicContact CD2-CE2 3.25Å; L279-F418 HydrophobicContact CD2-CG 4.14Å; L279-F418 HydrophobicContact CD2-CZ 3.68Å; L279-F418 HydrophobicContact CG-CD2 4.16Å; L279-F418 HydrophobicContact CG-CE2 4.32Å; L279-F418 HydrophobicContact CG-CG 4.4Å |
| 280 | N | 92.9 | Very high | 95.1 | Very high | 4 Ų | 4 | 16 Ų | 16 | 2% | 0.021 | 9% | 0.094 | C | C | . | . | I | π-helix | trans | -83.9 | -50.5 | -177.4 | -162.2 | -84.9 | 0 | 0 | 0 | 111.8 | Q145 L276 V285 A327 | Q145-N280 WeakPolarHBondContact CG-ND2 3.43Å; L276-N280 HydrophobicContact CD1-CB 4.15Å; L276-N280 HydrophobicContact CG-CB 4.4Å; L276-N280 WeakPolarHBondContact O-CA 3.21Å; L276-N280 WeakPolarHBondContact O-CB 3.25Å; L276-N280 PolarHBondContact O-N 2.92Å; N280-V285 WeakPolarHBondContact O-CG2 3.29Å; N280-V285 PolarHBondContact O-N 2.85Å; N280-A327 PolarHBondContact OD1-N 3.41Å |
| 281 | S | 95.6 | Very high | 95 | Very high | 2 Ų | 2 | 18.8 Ų | 18.8 | 1% | 0.014 | 11% | 0.109 | C | C | . | . | I | π-helix | trans | -82.8 | -18.1 | -168.5 | -52.2 | 0 | 0 | 0 | 0 | 114.3 | L276 S277 C324 H325 | L276-S281 PolarHBondContact O-N 3.27Å; S277-S281 CarbonylContact O-C 3.43Å; S277-S281 WeakPolarHBondContact O-CA 3.32Å; S277-S281 WeakPolarHBondContact O-CB 3.45Å; S277-S281 PolarHBondContact O-N 3.15Å; S277-S281 VanDerWaalsContact O-N 3.09Å; S281-C324 VanDerWaalsContact OG-CB 3.31Å; S281-C324 WeakPolarHBondContact OG-CB 3.43Å; S281-C324 PolarHBondContact OG-SG 2.93Å; S281-H325 WeakPolarHBondContact CA-O 3.34Å; S281-H325 WeakPolarHBondContact CB-O 3.4Å; S281-H325 PolarHBondContact OG-O 3.26Å |
| 282 | V | 97.8 | Very high | 95 | Very high | 0 Ų | 0 | 17.1 Ų | 17.1 | 0% | 0 | 10% | 0.098 | C | C | . | . | I | π-helix | trans | -114.8 | -68.1 | 176 | -173.9 | 0 | 0 | 0 | 0 | 111 | M126 S277 V278 V285 C286 P301 V304 | M126-V282 HydrophobicContact CE-CG2 4.46Å; M126-V282 HydrophobicContact CG-CG1 3.75Å; M126-V282 HydrophobicContact SD-CB 4.4Å; M126-V282 HydrophobicContact SD-CG1 4.09Å; S277-V282 PolarHBondContact O-N 2.86Å; V278-V282 WeakPolarHBondContact O-CB 3.24Å; V278-V282 PolarHBondContact O-N 3.11Å; V282-V285 PolarHBondContact O-N 3.49Å; V282-C286 WeakPolarHBondContact O-CB 3.28Å; V282-C286 PolarHBondContact O-N 2.93Å; V282-C286 PolarHBondContact O-SG 3.26Å; V282-C286 VanDerWaalsContact O-SG 3.4Å; V282-P301 HydrophobicContact CG1-CB 3.99Å; V282-P301 WeakPolarHBondContact CG1-O 3.36Å; V282-V304 HydrophobicContact CB-CG1 4.36Å; V282-V304 HydrophobicContact CG1-CB 4.18Å; V282-V304 HydrophobicContact CG1-CG1 4.14Å; V282-V304 HydrophobicContact CG2-CG1 4.29Å |
| 283 | I | 96.2 | Very high | 95.1 | Very high | 2 Ų | 2 | 14.5 Ų | 14.5 | 1% | 0.01 | 8% | 0.081 | C | C | . | . | I | π-helix | trans | -63.5 | -54.5 | -170.6 | -54 | -55.5 | 0 | 0 | 0 | 111.4 | M126 Y130 L133 V138 V278 V285 C286 K287 | M126-I283 HydrophobicContact SD-CD1 4.11Å; Y130-I283 HydrophobicContact CD2-CB 4.23Å; Y130-I283 HydrophobicContact CD2-CD1 3.68Å; Y130-I283 HydrophobicContact CD2-CG1 4.49Å; Y130-I283 HydrophobicContact CD2-CG2 3.71Å; Y130-I283 HydrophobicContact CE2-CG2 4.09Å; Y130-I283 HydrophobicContact CG-CD1 4.17Å; L133-I283 HydrophobicContact CD1-CB 4.45Å; L133-I283 HydrophobicContact CD1-CG1 3.98Å; L133-I283 HydrophobicContact CD1-CG2 3.85Å; V138-I283 HydrophobicContact CG1-CG2 4.12Å; V138-I283 HydrophobicContact CG2-CG2 3.79Å; V278-I283 HydrophobicContact CG1-CG1 4.34Å; V278-I283 WeakPolarHBondContact O-CG1 3.32Å; V278-I283 PolarHBondContact O-N 2.86Å; I283-V285 VanDerWaalsContact C-N 3.3Å; I283-V285 PolarHBondContact O-N 3.45Å; I283-C286 PolarHBondContact O-N 3.38Å; I283-K287 PolarHBondContact O-N 3.11Å |
| 284 | A | 96.1 | Very high | 94.9 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 11% | 0.111 | C | C | . | . | I | π-helix | trans | -66 | -32.5 | -178.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | Q142 L279 L288 A327 | Q142-A284 HydrophobicContact CG-CB 3.71Å; Q142-A284 PolarHBondContact NE2-O 2.94Å; L279-A284 WeakPolarHBondContact O-CB 3.46Å; L279-A284 PolarHBondContact O-N 3.32Å; A284-L288 WeakPolarHBondContact O-CB 3.05Å; A284-L288 PolarHBondContact O-N 2.98Å; A284-A327 HydrophobicContact CB-CB 4.04Å |
| 285 | V | 97.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 23.2 Ų | 23.2 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.8 | -46.8 | 174.2 | 167.9 | 0 | 0 | 0 | 0 | 111.1 | M83 N280 V282 I283 K287 L288 S289 H325 A327 L330 | M83-V285 HydrophobicContact CE-CG1 3.51Å; M83-V285 HydrophobicContact SD-CG1 3.69Å; N280-V285 WeakPolarHBondContact O-CG2 3.29Å; N280-V285 PolarHBondContact O-N 2.85Å; V282-V285 PolarHBondContact O-N 3.49Å; I283-V285 VanDerWaalsContact C-N 3.3Å; I283-V285 PolarHBondContact O-N 3.45Å; V285-K287 VanDerWaalsContact C-N 3.34Å; V285-K287 PolarHBondContact O-N 2.8Å; V285-L288 PolarHBondContact O-N 2.81Å; V285-S289 WeakPolarHBondContact O-CB 3.19Å; V285-S289 PolarHBondContact O-N 3.24Å; V285-H325 HydrophobicContact CG2-CB 4.31Å; V285-A327 HydrophobicContact CG2-CB 3.96Å; V285-L330 HydrophobicContact CG1-CD2 4.24Å |
| 286 | C | 97.7 | Very high | 94.3 | Very high | 0 Ų | 0 | 24.5 Ų | 24.5 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -58.8 | -46.3 | 175.7 | -77.5 | 0 | 0 | 0 | 0 | 111.5 | Y130 V282 I283 S289 S290 L299 | Y130-C286 HydrophobicContact CD2-CB 4.48Å; Y130-C286 HydrophobicContact CE2-CB 3.85Å; V282-C286 WeakPolarHBondContact O-CB 3.28Å; V282-C286 PolarHBondContact O-N 2.93Å; V282-C286 PolarHBondContact O-SG 3.26Å; V282-C286 VanDerWaalsContact O-SG 3.4Å; I283-C286 PolarHBondContact O-N 3.38Å; C286-S289 PolarHBondContact O-N 2.98Å; C286-S290 PolarHBondContact O-N 3.29Å; C286-S290 VanDerWaalsContact O-N 3.13Å; C286-S290 PolarHBondContact O-OG 3.41Å; C286-L299 PolarHBondContact SG-O 3.26Å; C286-L299 VanDerWaalsContact SG-O 3.33Å |
| 287 | K | 96.3 | Very high | 94 | Very high | 43 Ų | 43 | 27.5 Ų | 27.5 | 19% | 0.187 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -64.2 | -50.5 | 178.9 | -178.1 | 59 | -178.5 | 119.3 | 0 | 111.6 | L135 V138 I283 V285 S289 S290 D291 | L135-K287 HydrophobicContact CD1-CD 4.13Å; L135-K287 HydrophobicContact CD1-CG 4.29Å; V138-K287 HydrophobicContact CG1-CB 4.09Å; V138-K287 HydrophobicContact CG1-CG 4.27Å; I283-K287 PolarHBondContact O-N 3.11Å; V285-K287 VanDerWaalsContact C-N 3.34Å; V285-K287 PolarHBondContact O-N 2.8Å; K287-S289 VanDerWaalsContact C-N 3.31Å; K287-S289 PolarHBondContact O-N 2.97Å; K287-S290 WeakPolarHBondContact O-CB 3.45Å; K287-S290 PolarHBondContact O-N 3.29Å; K287-S290 VanDerWaalsContact O-N 3.1Å; K287-D291 IonicContact NZ-OD1 2.62Å; K287-D291 PolarHBondContact NZ-OD1 3.28Å; K287-D291 IonicContact NZ-OD2 3.68Å; K287-D291 PolarHBondContact O-N 3.09Å; K287-D291 VanDerWaalsContact O-N 3.16Å |
| 288 | L | 97.3 | Very high | 93.7 | Very high | 2 Ų | 2 | 32.8 Ų | 32.8 | 1% | 0.01 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 179 | -177 | 63.6 | 0 | 0 | 0 | 111.7 | A284 V285 S290 D291 L292 A327 L330 A331 L385 A388 | A284-L288 WeakPolarHBondContact O-CB 3.05Å; A284-L288 PolarHBondContact O-N 2.98Å; V285-L288 PolarHBondContact O-N 2.81Å; L288-S290 PolarHBondContact O-N 3.42Å; L288-D291 PolarHBondContact O-N 3.2Å; L288-D291 VanDerWaalsContact O-N 3.14Å; L288-L292 HydrophobicContact CD1-CD1 3.85Å; L288-L292 HydrophobicContact CD1-CD2 4.33Å; L288-L292 HydrophobicContact CD1-CG 3.87Å; L288-L292 HydrophobicContact CD2-CD1 4.14Å; L288-L292 HydrophobicContact CG-CD1 3.65Å; L288-L292 HydrophobicContact CG-CG 4.04Å; L288-L292 WeakPolarHBondContact O-CB 3.1Å; L288-L292 VanDerWaalsContact O-CG 3.31Å; L288-L292 WeakPolarHBondContact O-CG 3.28Å; L288-L292 PolarHBondContact O-N 3.49Å; L288-A327 HydrophobicContact CD2-CB 4.14Å; L288-A327 WeakPolarHBondContact CD2-O 3.33Å; L288-L330 HydrophobicContact CB-CD2 4.35Å; L288-L330 HydrophobicContact CD2-CB 4.28Å; L288-L330 HydrophobicContact CD2-CD2 4.14Å; L288-L330 HydrophobicContact CD2-CG 4.26Å; L288-L330 HydrophobicContact CG-CD2 4.2Å; L288-A331 HydrophobicContact CD2-CB 4.09Å; L288-L385 HydrophobicContact CD2-CD1 3.84Å; L288-A388 HydrophobicContact CD1-CB 3.6Å |
| 289 | S | 96.9 | Very high | 93.7 | Very high | 5 Ų | 5 | 32.5 Ų | 32.5 | 4% | 0.035 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -59 | -38.2 | 176.3 | 179.6 | 0 | 0 | 0 | 0 | 112 | I81 V285 C286 K287 D291 F293 | I81-S289 VanDerWaalsContact CD1-OG 3.22Å; I81-S289 WeakPolarHBondContact CD1-OG 3.3Å; V285-S289 WeakPolarHBondContact O-CB 3.19Å; V285-S289 PolarHBondContact O-N 3.24Å; C286-S289 PolarHBondContact O-N 2.98Å; K287-S289 VanDerWaalsContact C-N 3.31Å; K287-S289 PolarHBondContact O-N 2.97Å; S289-D291 VanDerWaalsContact C-N 3.3Å; S289-F293 WeakPolarHBondContact O-CB 3.35Å; S289-F293 WeakPolarHBondContact O-CD2 3.29Å; S289-F293 PolarHBondContact O-N 3.45Å |
| 290 | S | 95.4 | Very high | 93.9 | Very high | 29 Ų | 29 | 34.1 Ų | 34.1 | 20% | 0.203 | 19% | 0.193 | C | C | . | . | H | α-helix | trans | -70.6 | -30.7 | 179.4 | -54.6 | 0 | 0 | 0 | 0 | 112 | C286 K287 L288 P294 E298 | C286-S290 PolarHBondContact O-N 3.29Å; C286-S290 VanDerWaalsContact O-N 3.13Å; C286-S290 PolarHBondContact O-OG 3.41Å; K287-S290 WeakPolarHBondContact O-CB 3.45Å; K287-S290 PolarHBondContact O-N 3.29Å; K287-S290 VanDerWaalsContact O-N 3.1Å; L288-S290 PolarHBondContact O-N 3.42Å; S290-P294 WeakPolarHBondContact O-CA 3.49Å; S290-E298 WeakPolarHBondContact OG-CG 3.37Å |
| 291 | D | 94.2 | Very high | 94.1 | Very high | 58 Ų | 58 | 34.3 Ų | 34.3 | 31% | 0.31 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -75.1 | -41.4 | 175.5 | -58.3 | -34.4 | 0 | 0 | 0 | 112.5 | R139 K287 L288 S289 | R139-D291 IonicContact CZ-OD2 3.17Å; R139-D291 IonicContact NH1-OD2 2.72Å; R139-D291 PolarHBondContact NH1-OD2 3.13Å; R139-D291 VanDerWaalsContact NH2-CG 3.34Å; R139-D291 IonicContact NH2-OD1 3.39Å; R139-D291 PolarHBondContact NH2-OD1 2.79Å; R139-D291 IonicContact NH2-OD2 2.7Å; R139-D291 PolarHBondContact NH2-OD2 3.43Å; K287-D291 IonicContact NZ-OD1 2.62Å; K287-D291 PolarHBondContact NZ-OD1 3.28Å; K287-D291 IonicContact NZ-OD2 3.68Å; K287-D291 PolarHBondContact O-N 3.09Å; K287-D291 VanDerWaalsContact O-N 3.16Å; L288-D291 PolarHBondContact O-N 3.2Å; L288-D291 VanDerWaalsContact O-N 3.14Å; S289-D291 VanDerWaalsContact C-N 3.3Å |
| 292 | L | 93.2 | Very high | 94.2 | Very high | 24 Ų | 24 | 35 Ų | 35 | 13% | 0.126 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -80.9 | -23.7 | -176.2 | -64 | -178.4 | 0 | 0 | 0 | 113 | L288 P294 L330 Y334 | L288-L292 HydrophobicContact CD1-CD1 3.85Å; L288-L292 HydrophobicContact CD1-CD2 4.33Å; L288-L292 HydrophobicContact CD1-CG 3.87Å; L288-L292 HydrophobicContact CD2-CD1 4.14Å; L288-L292 HydrophobicContact CG-CD1 3.65Å; L288-L292 HydrophobicContact CG-CG 4.04Å; L288-L292 WeakPolarHBondContact O-CB 3.1Å; L288-L292 VanDerWaalsContact O-CG 3.31Å; L288-L292 WeakPolarHBondContact O-CG 3.28Å; L288-L292 PolarHBondContact O-N 3.49Å; L292-P294 VanDerWaalsContact C-CD 3.5Å; L292-L330 HydrophobicContact CD1-CG 4.31Å; L292-Y334 HydrophobicContact CB-CD2 3.94Å; L292-Y334 HydrophobicContact CB-CE2 3.97Å; L292-Y334 HydrophobicContact CB-CG 4.38Å; L292-Y334 HydrophobicContact CD1-CD1 4.19Å; L292-Y334 HydrophobicContact CD1-CD2 4.12Å; L292-Y334 HydrophobicContact CD1-CG 3.78Å; L292-Y334 HydrophobicContact CD2-CD1 3.75Å; L292-Y334 HydrophobicContact CD2-CD2 4.33Å; L292-Y334 HydrophobicContact CD2-CE1 3.72Å; L292-Y334 HydrophobicContact CD2-CE2 4.29Å; L292-Y334 HydrophobicContact CD2-CG 4.07Å; L292-Y334 HydrophobicContact CG-CD1 4.46Å; L292-Y334 HydrophobicContact CG-CD2 4.36Å; L292-Y334 HydrophobicContact CG-CG 4.3Å |
| 293 | F | 93.6 | Very high | 94.3 | Very high | 4 Ų | 4 | 43.9 Ų | 43.9 | 2% | 0.018 | 23% | 0.233 | C | C | . | . | trans | -133.1 | 59 | -178.1 | -51.7 | -73.6 | 0 | 0 | 0 | 111.4 | I81 P82 S289 E295 R296 L330 Y334 | I81-F293 HydrophobicContact CB-CD2 4.33Å; I81-F293 HydrophobicContact CB-CE2 4.17Å; I81-F293 HydrophobicContact CG2-CD2 3.99Å; I81-F293 HydrophobicContact CG2-CE2 4.31Å; I81-F293 HydrophobicContact CG2-CG 4.22Å; P82-F293 HydrophobicContact CG-CE2 4.38Å; P82-F293 HydrophobicContact CG-CZ 3.8Å; S289-F293 WeakPolarHBondContact O-CB 3.35Å; S289-F293 WeakPolarHBondContact O-CD2 3.29Å; S289-F293 PolarHBondContact O-N 3.45Å; F293-E295 WeakPolarHBondContact CA-OE2 3.27Å; F293-E295 PolarHBondContact O-N 3.18Å; F293-E295 VanDerWaalsContact O-N 3.16Å; F293-R296 HydrophobicContact CB-CB 4.44Å; F293-R296 HydrophobicContact CB-CG 4.32Å; F293-R296 PolarHBondContact O-N 2.92Å; F293-L330 HydrophobicContact CE2-CD1 4.14Å; F293-Y334 AromaticContact CE1-CD2 3.93Å; F293-Y334 HydrophobicContact CE1-CD2 3.93Å; F293-Y334 HydrophobicContact CE1-CE2 4.15Å; F293-Y334 HydrophobicContact CE2-CD2 4.42Å; F293-Y334 AromaticContact CZ-CD2 3.68Å; F293-Y334 HydrophobicContact CZ-CD2 3.68Å; F293-Y334 HydrophobicContact CZ-CE2 4.31Å | ||
| 294 | P | 90.6 | Very high | 94.4 | Very high | 100 Ų | 100 | 43.8 Ų | 43.8 | 65% | 0.649 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -64.5 | -20.7 | -174.4 | 28.8 | -36.7 | 0 | 0 | 0 | 113.1 | S290 L292 R296 | S290-P294 WeakPolarHBondContact O-CA 3.49Å; L292-P294 VanDerWaalsContact C-CD 3.5Å; P294-R296 PolarHBondContact O-N 3.14Å |
| 295 | E | 87.7 | Confident | 94.5 | Very high | 115 Ų | 115 | 43.8 Ų | 43.8 | 54% | 0.537 | 23% | 0.232 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -76.3 | -3.1 | 176.5 | 79.7 | -73 | 177.4 | 0 | 0 | 113.7 | K29 F293 | K29-E295 IonicContact NZ-OE1 2.78Å; K29-E295 PolarHBondContact NZ-OE1 2.89Å; F293-E295 WeakPolarHBondContact CA-OE2 3.27Å; F293-E295 PolarHBondContact O-N 3.18Å; F293-E295 VanDerWaalsContact O-N 3.16Å |
| 296 | R | 85.8 | Confident | 94.6 | Very high | 65 Ų | 65 | 45.5 Ų | 45.5 | 25% | 0.245 | 24% | 0.243 | C | C | . | . | S | Bend | trans | -108.2 | 157.5 | 178.6 | -64.3 | -169.8 | -177.3 | -122.6 | 10.3 | 111.3 | G80 F293 P294 E298 | G80-R296 PolarHBondContact O-NH1 3.43Å; G80-R296 PolarHBondContact O-NH2 3.38Å; F293-R296 HydrophobicContact CB-CB 4.44Å; F293-R296 HydrophobicContact CB-CG 4.32Å; F293-R296 PolarHBondContact O-N 2.92Å; P294-R296 PolarHBondContact O-N 3.14Å; R296-E298 PolarHBondContact O-N 3.49Å |
| 297 | A | 85.5 | Confident | 94.6 | Very high | 93 Ų | 93 | 46.2 Ų | 46.2 | 77% | 0.769 | 25% | 0.248 | S | C | * | . | P | Polyproline II helix | trans | -60.4 | 135 | 167.9 | 0 | 0 | 0 | 0 | 0 | 110.2 | L299 | A297-L299 PolarHBondContact O-N 3.07Š|
| 298 | E | 89.3 | Confident | 94.7 | Very high | 111 Ų | 111 | 44.2 Ų | 44.2 | 52% | 0.519 | 24% | 0.239 | S | C | . | . | P | Polyproline II helix | trans | -54.5 | 136.9 | 175.5 | 172.9 | 168.1 | -154.8 | 0 | 0 | 111.1 | Y130 S290 R296 S300 | Y130-E298 WeakPolarHBondContact CE1-OE1 3.41Å; Y130-E298 PolarHBondContact OH-OE1 3.2Å; S290-E298 WeakPolarHBondContact OG-CG 3.37Å; R296-E298 PolarHBondContact O-N 3.49Å; E298-S300 PolarHBondContact O-N 3.07Å |
| 299 | L | 94.5 | Very high | 94.8 | Very high | 17 Ų | 17 | 44.1 Ų | 44.1 | 9% | 0.089 | 24% | 0.239 | C | C | . | . | P | Polyproline II helix | trans | -67.5 | 128.4 | 177.4 | -61.3 | -174.8 | 0 | 0 | 0 | 110.4 | F79 I81 C286 A297 P301 V304 | F79-L299 HydrophobicContact CB-CD2 4.47Å; F79-L299 HydrophobicContact CD1-CD2 4.02Å; I81-L299 HydrophobicContact CD1-CD1 3.62Å; I81-L299 HydrophobicContact CD1-CD2 4.38Å; I81-L299 HydrophobicContact CD1-CG 4.35Å; C286-L299 PolarHBondContact SG-O 3.26Å; C286-L299 VanDerWaalsContact SG-O 3.33Å; A297-L299 PolarHBondContact O-N 3.07Å; L299-P301 VanDerWaalsContact O-CD 3.26Å; L299-P301 WeakPolarHBondContact O-CD 3.43Å; L299-V304 HydrophobicContact CB-CG2 4.16Å; L299-V304 HydrophobicContact CD1-CG2 4.21Å |
| 300 | S | 97.2 | Very high | 94.9 | Very high | 43 Ų | 43 | 48.1 Ų | 48.1 | 30% | 0.301 | 26% | 0.259 | S | S | . | . | P | Polyproline II helix | trans | -65.3 | 120.2 | 172.7 | 175.3 | 0 | 0 | 0 | 0 | 111.2 | E298 A302 R303 V304 | E298-S300 PolarHBondContact O-N 3.07Å; S300-A302 PolarHBondContact O-N 3.34Å; S300-R303 PolarHBondContact O-N 2.8Å; S300-V304 PolarHBondContact O-N 3.35Å |
| 301 | P | 97.9 | Very high | 95 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 5% | 0.052 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -58.4 | -35.9 | 176.4 | -24.3 | 33.9 | 0 | 0 | 0 | 112.7 | M126 Y130 V282 L299 V304 S305 | M126-P301 HydrophobicContact CG-CB 4.01Å; Y130-P301 HydrophobicContact CD1-CG 3.65Å; Y130-P301 HydrophobicContact CD2-CG 3.83Å; Y130-P301 HydrophobicContact CE1-CG 4.25Å; Y130-P301 HydrophobicContact CE2-CG 4.44Å; Y130-P301 HydrophobicContact CG-CB 4.26Å; Y130-P301 HydrophobicContact CG-CG 3.41Å; Y130-P301 VanDerWaalsContact CG-CG 3.41Å; V282-P301 HydrophobicContact CG1-CB 3.99Å; V282-P301 WeakPolarHBondContact CG1-O 3.36Å; L299-P301 VanDerWaalsContact O-CD 3.26Å; L299-P301 WeakPolarHBondContact O-CD 3.43Å; P301-V304 PolarHBondContact O-N 2.9Å; P301-S305 VanDerWaalsContact O-CB 3.31Å; P301-S305 WeakPolarHBondContact O-CB 3.39Å; P301-S305 PolarHBondContact O-N 2.95Å |
| 302 | A | 98.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 44.5 Ų | 44.5 | 12% | 0.124 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -59.1 | -47.6 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | G121 T127 S300 S305 V306 | G121-A302 WeakPolarHBondContact O-CB 3.46Å; T127-A302 WeakPolarHBondContact OG1-CB 3.14Å; S300-A302 PolarHBondContact O-N 3.34Å; A302-S305 WeakPolarHBondContact O-CB 3.25Å; A302-S305 PolarHBondContact O-N 3.3Å; A302-V306 WeakPolarHBondContact O-CG2 3.45Å; A302-V306 PolarHBondContact O-N 3.27Å |
| 303 | R | 98.4 | Very high | 95.5 | Very high | 187 Ų | 187 | 48.2 Ų | 48.2 | 71% | 0.706 | 25% | 0.253 | S | S | * | . | H | α-helix | trans | -65.7 | -40.1 | 178.7 | -68 | -176.5 | -179.8 | 168.7 | 0.1 | 112.3 | S300 V306 S307 | S300-R303 PolarHBondContact O-N 2.8Å; R303-V306 PolarHBondContact O-N 2.88Å; R303-S307 WeakPolarHBondContact O-CB 3.33Å; R303-S307 PolarHBondContact O-N 3.46Å |
| 304 | V | 98.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 51.3 Ų | 51.3 | 0% | 0 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -64.6 | -41.7 | 176.1 | 176.4 | 0 | 0 | 0 | 0 | 110.6 | F79 M83 V282 L299 S300 P301 S307 V308 | F79-V304 HydrophobicContact CE1-CG2 3.81Å; F79-V304 HydrophobicContact CZ-CG2 4.14Å; M83-V304 HydrophobicContact CE-CG1 3.73Å; M83-V304 HydrophobicContact CE-CG2 4.09Å; V282-V304 HydrophobicContact CB-CG1 4.36Å; V282-V304 HydrophobicContact CG1-CB 4.18Å; V282-V304 HydrophobicContact CG1-CG1 4.14Å; V282-V304 HydrophobicContact CG2-CG1 4.29Å; L299-V304 HydrophobicContact CB-CG2 4.16Å; L299-V304 HydrophobicContact CD1-CG2 4.21Å; S300-V304 PolarHBondContact O-N 3.35Å; P301-V304 PolarHBondContact O-N 2.9Å; V304-S307 WeakPolarHBondContact O-CB 3.32Å; V304-S307 PolarHBondContact O-N 3.29Å; V304-V308 WeakPolarHBondContact O-CG2 3.33Å; V304-V308 PolarHBondContact O-N 3.44Å |
| 305 | S | 98.7 | Very high | 96 | Very high | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.2 | -45.6 | 174.6 | -166.6 | 0 | 0 | 0 | 0 | 112.6 | L117 M126 P301 A302 S307 V308 G309 | L117-S305 PolarHBondContact O-OG 3.14Å; M126-S305 WeakPolarHBondContact CE-OG 3.44Å; P301-S305 VanDerWaalsContact O-CB 3.31Å; P301-S305 WeakPolarHBondContact O-CB 3.39Å; P301-S305 PolarHBondContact O-N 2.95Å; A302-S305 WeakPolarHBondContact O-CB 3.25Å; A302-S305 PolarHBondContact O-N 3.3Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S305-S307 PolarHBondContact O-N 2.99Å; S305-V308 PolarHBondContact O-N 3.44Å; S305-G309 PolarHBondContact O-N 2.86Å |
| 306 | V | 98.8 | Very high | 96.5 | Very high | 36 Ų | 36 | 41.2 Ų | 41.2 | 22% | 0.218 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -61.3 | -40.9 | 175 | 171.2 | 0 | 0 | 0 | 0 | 111 | L118 V122 A302 R303 G309 L310 | L118-V306 HydrophobicContact CD2-CG1 4.16Å; V122-V306 HydrophobicContact CG2-CG2 3.97Å; A302-V306 WeakPolarHBondContact O-CG2 3.45Å; A302-V306 PolarHBondContact O-N 3.27Å; R303-V306 PolarHBondContact O-N 2.88Å; V306-G309 CarbonylContact O-C 3.17Å; V306-G309 WeakPolarHBondContact O-CA 3.3Å; V306-G309 PolarHBondContact O-N 3.17Å; V306-L310 HydrophobicContact CG1-CD1 3.82Å; V306-L310 HydrophobicContact CG1-CG 4.08Å; V306-L310 WeakPolarHBondContact O-CG 3.33Å; V306-L310 PolarHBondContact O-N 2.97Å |
| 307 | S | 98.6 | Very high | 97.1 | Very high | 16 Ų | 16 | 43.1 Ų | 43.1 | 11% | 0.112 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -58.3 | -50.8 | 176 | 178.4 | 0 | 0 | 0 | 0 | 111.8 | R303 V304 S305 G309 L310 M311 H325 | R303-S307 WeakPolarHBondContact O-CB 3.33Å; R303-S307 PolarHBondContact O-N 3.46Å; V304-S307 WeakPolarHBondContact O-CB 3.32Å; V304-S307 PolarHBondContact O-N 3.29Å; S305-S307 VanDerWaalsContact C-N 3.31Å; S305-S307 PolarHBondContact O-N 2.99Å; S307-G309 VanDerWaalsContact C-N 3.28Å; S307-G309 PolarHBondContact O-N 2.88Å; S307-L310 PolarHBondContact O-N 2.9Å; S307-M311 VanDerWaalsContact O-CG 3.31Å; S307-M311 WeakPolarHBondContact O-CG 3.25Å; S307-M311 PolarHBondContact O-N 3.23Å; S307-H325 PolarHBondContact OG-NE2 2.87Å |
| 308 | V | 98.6 | Very high | 97.7 | Very high | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 20% | 0.202 | C | C | . | . | H | α-helix | trans | -58.8 | -43.8 | 174.7 | -178 | 0 | 0 | 0 | 0 | 111 | M88 L117 V304 S305 M311 N312 C324 H325 | M88-V308 HydrophobicContact CE-CG1 4.05Å; L117-V308 HydrophobicContact CD1-CB 3.94Å; L117-V308 HydrophobicContact CD1-CG1 3.45Å; L117-V308 VanDerWaalsContact CD1-CG1 3.45Å; V304-V308 WeakPolarHBondContact O-CG2 3.33Å; V304-V308 PolarHBondContact O-N 3.44Å; S305-V308 PolarHBondContact O-N 3.44Å; V308-M311 HydrophobicContact CB-CE 4.28Å; V308-M311 HydrophobicContact CG2-CE 4.08Å; V308-N312 PolarHBondContact O-N 3.15Å; V308-N312 PolarHBondContact O-ND2 3.39Å; V308-C324 HydrophobicContact CG1-CB 4.19Å; V308-H325 VanDerWaalsContact CG2-CD2 3.46Å; V308-H325 WeakPolarHBondContact CG2-CD2 3.45Å |
| 309 | G | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -52.8 | -56.5 | 174.3 | 0 | 0 | 0 | 0 | 0 | 113.7 | A114 S305 V306 S307 M311 N312 F313 | A114-G309 WeakPolarHBondContact CB-O 3.27Å; S305-G309 PolarHBondContact O-N 2.86Å; V306-G309 CarbonylContact O-C 3.17Å; V306-G309 WeakPolarHBondContact O-CA 3.3Å; V306-G309 PolarHBondContact O-N 3.17Å; S307-G309 VanDerWaalsContact C-N 3.28Å; S307-G309 PolarHBondContact O-N 2.88Å; G309-M311 PolarHBondContact O-N 3.26Å; G309-N312 PolarHBondContact O-N 3.27Å; G309-F313 VanDerWaalsContact O-CB 3.31Å; G309-F313 WeakPolarHBondContact O-CB 3.31Å; G309-F313 PolarHBondContact O-N 3.35Å |
| 310 | L | 98.7 | Very high | 98.2 | Very high | 90 Ų | 90 | 36.4 Ų | 36.4 | 47% | 0.471 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.1 | -40.5 | -176.6 | -69.4 | 176.6 | 0 | 0 | 0 | 112.7 | L118 V306 S307 N312 F313 V314 | L118-L310 HydrophobicContact CD2-CD2 3.9Å; L118-L310 HydrophobicContact CD2-CG 3.9Å; V306-L310 HydrophobicContact CG1-CD1 3.82Å; V306-L310 HydrophobicContact CG1-CG 4.08Å; V306-L310 WeakPolarHBondContact O-CG 3.33Å; V306-L310 PolarHBondContact O-N 2.97Å; S307-L310 PolarHBondContact O-N 2.9Å; L310-N312 VanDerWaalsContact C-N 3.31Å; L310-N312 PolarHBondContact O-N 3.39Å; L310-F313 PolarHBondContact O-N 3.45Å; L310-V314 WeakPolarHBondContact O-CG2 3.18Å; L310-V314 PolarHBondContact O-N 2.91Å |
| 311 | M | 98.4 | Very high | 98.2 | Very high | 8 Ų | 8 | 34.5 Ų | 34.5 | 4% | 0.039 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -54.3 | -49.5 | 177.5 | -73.2 | -172.9 | -64 | 0 | 0 | 111.1 | Y71 T75 V85 S307 V308 G309 V314 G315 | Y71-M311 HydrophobicContact CD1-CB 4.26Å; Y71-M311 HydrophobicContact CD1-CG 3.85Å; Y71-M311 HydrophobicContact CD2-CB 3.88Å; Y71-M311 HydrophobicContact CD2-CG 3.83Å; Y71-M311 HydrophobicContact CD2-SD 3.89Å; Y71-M311 HydrophobicContact CE1-CB 4.3Å; Y71-M311 HydrophobicContact CE1-CG 4.36Å; Y71-M311 HydrophobicContact CE2-CB 3.9Å; Y71-M311 HydrophobicContact CE2-CG 4.33Å; Y71-M311 HydrophobicContact CG-CB 4.09Å; Y71-M311 HydrophobicContact CG-CG 3.6Å; Y71-M311 HydrophobicContact CG-SD 3.81Å; Y71-M311 PolarHBondContact OH-O 3.34Å; T75-M311 HydrophobicContact CG2-SD 4.49Å; V85-M311 HydrophobicContact CG1-SD 4.13Å; V85-M311 HydrophobicContact CG2-SD 3.97Å; S307-M311 VanDerWaalsContact O-CG 3.31Å; S307-M311 WeakPolarHBondContact O-CG 3.25Å; S307-M311 PolarHBondContact O-N 3.23Å; V308-M311 HydrophobicContact CB-CE 4.28Å; V308-M311 HydrophobicContact CG2-CE 4.08Å; G309-M311 PolarHBondContact O-N 3.26Å; M311-V314 PolarHBondContact O-N 3Å; M311-G315 PolarHBondContact O-N 3.07Å |
| 312 | N | 98.7 | Very high | 98.2 | Very high | 2 Ų | 2 | 34.1 Ų | 34.1 | 1% | 0.011 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -76.7 | -35 | -177.5 | -64.8 | -67.9 | 0 | 0 | 0 | 112.3 | M88 A114 V308 G309 L310 V314 C316 P322 C323 | M88-N312 WeakPolarHBondContact CE-ND2 3.46Å; A114-N312 HydrophobicContact CB-CB 3.69Å; V308-N312 PolarHBondContact O-N 3.15Å; V308-N312 PolarHBondContact O-ND2 3.39Å; G309-N312 PolarHBondContact O-N 3.27Å; L310-N312 VanDerWaalsContact C-N 3.31Å; L310-N312 PolarHBondContact O-N 3.39Å; N312-V314 PolarHBondContact O-N 3.38Å; N312-C316 WeakPolarHBondContact O-CB 3.34Å; N312-C316 PolarHBondContact O-N 2.69Å; N312-C316 PolarHBondContact O-SG 3.48Å; N312-P322 WeakPolarHBondContact OD1-CA 3.28Å; N312-C323 PolarHBondContact ND2-O 3.02Å; N312-C323 PolarHBondContact OD1-N 3.27Å; N312-C323 PolarHBondContact OD1-O 2.82Å |
| 313 | F | 98.2 | Very high | 98.2 | Very high | 102 Ų | 102 | 33.4 Ų | 33.4 | 45% | 0.447 | 16% | 0.156 | S | C | . | . | H | α-helix | trans | -63 | -26.8 | 175.5 | -166.8 | -99.1 | 0 | 0 | 0 | 112.6 | L111 A114 L118 G309 L310 W317 | L111-F313 HydrophobicContact CD2-CD2 4.39Å; A114-F313 HydrophobicContact CB-CB 4.23Å; L118-F313 HydrophobicContact CD1-CB 4.26Å; L118-F313 HydrophobicContact CD1-CD2 4.47Å; L118-F313 HydrophobicContact CD1-CG 4.37Å; G309-F313 VanDerWaalsContact O-CB 3.31Å; G309-F313 WeakPolarHBondContact O-CB 3.31Å; G309-F313 PolarHBondContact O-N 3.35Å; L310-F313 PolarHBondContact O-N 3.45Å; F313-W317 PolarHBondContact O-NE1 3.36Å |
| 314 | V | 97.9 | Very high | 98.2 | Very high | 70 Ų | 70 | 24.8 Ų | 24.8 | 42% | 0.424 | 12% | 0.124 | S | C | . | . | H | α-helix | trans | -87.3 | -58.6 | 176.5 | 173.3 | 0 | 0 | 0 | 0 | 111.4 | F67 L310 M311 N312 F318 | F67-V314 HydrophobicContact CD1-CG1 4.37Å; F67-V314 HydrophobicContact CE1-CG1 3.94Å; L310-V314 WeakPolarHBondContact O-CG2 3.18Å; L310-V314 PolarHBondContact O-N 2.91Å; M311-V314 PolarHBondContact O-N 3Å; N312-V314 PolarHBondContact O-N 3.38Å; V314-F318 WeakPolarHBondContact O-CD2 3.36Å |
| 315 | G | 98 | Very high | 98.1 | Very high | 2 Ų | 2 | 24.8 Ų | 24.8 | 2% | 0.021 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -74.6 | -29.4 | -168.3 | 0 | 0 | 0 | 0 | 0 | 115.5 | Y71 M311 W317 F318 G319 A320 | Y71-G315 WeakPolarHBondContact OH-CA 3.31Å; Y71-G315 PolarHBondContact OH-N 3.04Å; M311-G315 PolarHBondContact O-N 3.07Å; G315-W317 PolarHBondContact O-N 3.04Å; G315-F318 PolarHBondContact O-N 3.2Å; G315-G319 PolarHBondContact O-N 3.32Å; G315-A320 WeakPolarHBondContact O-CB 3.42Å; G315-A320 PolarHBondContact O-N 3.45Å |
| 316 | C | 98.4 | Very high | 97.8 | Very high | 1 Ų | 1 | 24.8 Ų | 24.8 | 1% | 0.007 | 12% | 0.124 | C | C | . | . | G | 310 helix | trans | -65.8 | -25.6 | -174.3 | -67.7 | 0 | 0 | 0 | 0 | 112.6 | M107 L111 N312 F318 G319 | M107-C316 HydrophobicContact CB-CB 4.22Å; M107-C316 WeakPolarHBondContact CB-O 3.27Å; M107-C316 WeakPolarHBondContact CG-O 3.33Å; M107-C316 HydrophobicContact SD-CB 3.96Å; M107-C316 VanDerWaalsContact SD-O 3.36Å; L111-C316 HydrophobicContact CD2-CB 3.91Å; L111-C316 HydrophobicContact CG-CB 3.79Å; N312-C316 WeakPolarHBondContact O-CB 3.34Å; N312-C316 PolarHBondContact O-N 2.69Å; N312-C316 PolarHBondContact O-SG 3.48Å; C316-F318 PolarHBondContact O-N 3.07Å; C316-G319 PolarHBondContact O-N 3.17Å |
| 317 | W | 98 | Very high | 97.7 | Very high | 104 Ų | 104 | 23 Ų | 23 | 39% | 0.394 | 11% | 0.114 | S | C | . | . | G | 310 helix | trans | -64.2 | -23.9 | 172.8 | -62.6 | 111.2 | 0 | 0 | 0 | 113.5 | L111 L254 V255 I257 F313 G315 | L111-W317 HydrophobicContact CD1-CD2 4.19Å; L111-W317 HydrophobicContact CD1-CE3 4.15Å; L111-W317 HydrophobicContact CD1-CH2 3.78Å; L111-W317 HydrophobicContact CD1-CZ2 3.81Å; L111-W317 HydrophobicContact CD1-CZ3 3.95Å; L111-W317 HydrophobicContact CD2-CD2 4.39Å; L111-W317 HydrophobicContact CD2-CZ2 3.95Å; L254-W317 CarbonylContact C-O 3.57Å; L254-W317 WeakPolarHBondContact CA-O 3.41Å; L254-W317 HydrophobicContact CD2-CB 4.24Å; V255-W317 PolarHBondContact N-O 3.32Å; I257-W317 HydrophobicContact CD1-CE3 4.4Å; I257-W317 HydrophobicContact CD1-CZ3 4.28Å; F313-W317 PolarHBondContact O-NE1 3.36Å; G315-W317 PolarHBondContact O-N 3.04Å |
| 318 | F | 97.6 | Very high | 97.5 | Very high | 71 Ų | 71 | 22.3 Ų | 22.3 | 31% | 0.311 | 11% | 0.108 | S | C | . | . | G | 310 helix | trans | -101.6 | 2.4 | -178 | -58.7 | -86.9 | 0 | 0 | 0 | 112.9 | T63 F67 G253 L254 V314 G315 C316 | T63-F318 HydrophobicContact CG2-CB 4.32Å; T63-F318 WeakPolarHBondContact CG2-O 3.36Å; F67-F318 HydrophobicContact CD2-CB 4.46Å; F67-F318 AromaticContact CE1-CD2 3.87Å; F67-F318 HydrophobicContact CE1-CD2 3.87Å; F67-F318 HydrophobicContact CE1-CE2 4.31Å; F67-F318 HydrophobicContact CE1-CG 4.48Å; F67-F318 HydrophobicContact CE2-CB 3.49Å; F67-F318 VanDerWaalsContact CE2-CB 3.49Å; F67-F318 HydrophobicContact CE2-CD2 4.01Å; F67-F318 AromaticContact CE2-CG 3.81Å; F67-F318 HydrophobicContact CE2-CG 3.81Å; F67-F318 HydrophobicContact CZ-CB 3.69Å; F67-F318 HydrophobicContact CZ-CD1 4.25Å; F67-F318 AromaticContact CZ-CD2 3.25Å; F67-F318 HydrophobicContact CZ-CD2 3.25Å; F67-F318 AromaticContact CZ-CE2 3.9Å; F67-F318 HydrophobicContact CZ-CE2 3.9Å; F67-F318 AromaticContact CZ-CG 3.46Å; F67-F318 HydrophobicContact CZ-CG 3.46Å; F67-F318 VanDerWaalsContact CZ-CG 3.46Å; G253-F318 WeakPolarHBondContact O-CA 3.25Å; L254-F318 HydrophobicContact CD2-CD1 4.25Å; L254-F318 HydrophobicContact CD2-CE1 3.97Å; L254-F318 HydrophobicContact CD2-CZ 4.32Å; V314-F318 WeakPolarHBondContact O-CD2 3.36Å; G315-F318 PolarHBondContact O-N 3.2Å; C316-F318 PolarHBondContact O-N 3.07Å |
| 319 | G | 96.6 | Very high | 97.5 | Very high | 8 Ų | 8 | 22.3 Ų | 22.3 | 8% | 0.082 | 11% | 0.108 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.8 | 10.6 | -177.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | L59 M107 V255 G315 C316 | L59-G319 WeakPolarHBondContact CD1-O 3.35Å; M107-G319 VanDerWaalsContact SD-C 3.6Å; M107-G319 VanDerWaalsContact SD-CA 3.56Å; V255-G319 VanDerWaalsContact CG2-CA 3.49Å; V255-G319 VanDerWaalsContact CG2-N 3.31Å; G315-G319 PolarHBondContact O-N 3.32Å; C316-G319 PolarHBondContact O-N 3.17Å |
| 320 | A | 97.5 | Very high | 97.4 | Very high | 2 Ų | 2 | 22.3 Ų | 22.3 | 2% | 0.017 | 11% | 0.108 | C | C | . | . | P | Polyproline II helix | trans | -69.8 | 135.4 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.6 | T63 F67 G315 | T63-A320 HydrophobicContact CG2-CB 4.29Å; F67-A320 HydrophobicContact CB-CB 3.73Å; F67-A320 HydrophobicContact CD2-CB 3.7Å; F67-A320 HydrophobicContact CG-CB 3.83Å; G315-A320 WeakPolarHBondContact O-CB 3.42Å; G315-A320 PolarHBondContact O-N 3.45Å |
| 321 | M | 97 | Very high | 97.3 | Very high | 3 Ų | 3 | 18 Ų | 18 | 2% | 0.015 | 9% | 0.086 | C | C | . | . | P | Polyproline II helix | trans | -49.1 | 128.4 | 177.8 | -178.2 | 55.9 | -163.5 | 0 | 0 | 111.8 | L53 L59 T64 P87 A92 I106 C323 | L53-M321 HydrophobicContact CD1-CE 3.62Å; L53-M321 HydrophobicContact CD1-CG 4.45Å; L53-M321 HydrophobicContact CD1-SD 3.35Å; L53-M321 WeakPolarHBondContact CD1-SD 3.5Å; L59-M321 HydrophobicContact CD1-CB 4.45Å; L59-M321 HydrophobicContact CD2-CB 3.88Å; L59-M321 HydrophobicContact CD2-CG 4.39Å; L59-M321 HydrophobicContact CD2-SD 4.36Å; T64-M321 HydrophobicContact CG2-CB 3.63Å; T64-M321 PolarHBondContact OG1-N 2.94Å; T64-M321 VanDerWaalsContact OG1-N 3.15Å; P87-M321 HydrophobicContact CB-CE 3.91Å; P87-M321 HydrophobicContact CB-CG 3.75Å; P87-M321 HydrophobicContact CG-CG 4.17Å; A92-M321 HydrophobicContact CB-CE 3.89Å; I106-M321 HydrophobicContact CG2-SD 4.35Å; M321-C323 PolarHBondContact O-N 3.46Å; M321-C323 PolarHBondContact O-SG 3.19Å |
| 322 | P | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 17.6 Ų | 17.6 | 0% | 0 | 8% | 0.084 | C | C | . | . | P | Polyproline II helix | trans | -53.7 | 128.4 | 171.8 | -27.4 | 33.6 | 0 | 0 | 0 | 111.3 | P87 M88 I91 I106 N312 | P87-P322 CarbonylContact C-O 3.46Å; P87-P322 WeakPolarHBondContact CA-O 3.47Å; M88-P322 HydrophobicContact CB-CB 4.35Å; M88-P322 HydrophobicContact CG-CB 4.22Å; M88-P322 PolarHBondContact N-O 3.43Å; M88-P322 HydrophobicContact SD-CB 4Å; I91-P322 HydrophobicContact CD1-CB 4.21Å; I91-P322 HydrophobicContact CD1-CG 4.47Å; I106-P322 HydrophobicContact CG2-CG 4.02Å; I106-P322 WeakPolarHBondContact O-CG 3.23Å; N312-P322 WeakPolarHBondContact OD1-CA 3.28Å |
| 323 | C | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 17.5 Ų | 17.5 | 0% | 0 | 8% | 0.083 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 151.3 | -172.7 | -73 | 0 | 0 | 0 | 0 | 112.8 | T68 V85 Q86 M88 N312 M321 | T68-C323 WeakPolarHBondContact CG2-SG 3.44Å; V85-C323 HydrophobicContact CG1-CB 3.78Å; Q86-C323 CarbonylContact O-C 3.49Å; Q86-C323 WeakPolarHBondContact O-CA 3.45Å; Q86-C323 WeakPolarHBondContact O-CB 3.36Å; M88-C323 WeakPolarHBondContact CE-O 3.31Å; N312-C323 PolarHBondContact ND2-O 3.02Å; N312-C323 PolarHBondContact OD1-N 3.27Å; N312-C323 PolarHBondContact OD1-O 2.82Å; M321-C323 PolarHBondContact O-N 3.46Å; M321-C323 PolarHBondContact O-SG 3.19Å |
| 324 | C | 98.1 | Very high | 96.9 | Very high | 5 Ų | 5 | 15 Ų | 15 | 3% | 0.034 | 7% | 0.071 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.9 | 171.3 | 174 | 63.3 | 0 | 0 | 0 | 0 | 110.2 | Q86 M88 S281 V308 | Q86-C324 PolarHBondContact N-O 3.39Å; Q86-C324 PolarHBondContact O-N 3.27Å; M88-C324 HydrophobicContact CE-CB 4.31Å; M88-C324 HydrophobicContact CG-CB 4.14Å; S281-C324 VanDerWaalsContact OG-CB 3.31Å; S281-C324 WeakPolarHBondContact OG-CB 3.43Å; S281-C324 PolarHBondContact OG-SG 2.93Å; V308-C324 HydrophobicContact CG1-CB 4.19Å |
| 325 | H | 96.6 | Very high | 96.7 | Very high | 0 Ų | 0 | 12.8 Ų | 12.8 | 0% | 0 | 6% | 0.055 | C | C | . | . | trans | -76.9 | 155.8 | 158.4 | -58.8 | -51.9 | 0 | 0 | 0 | 109.1 | T75 M83 P84 S281 V285 S307 V308 | T75-H325 VanDerWaalsContact CG2-CE1 3.48Å; T75-H325 WeakPolarHBondContact CG2-CE1 3.31Å; M83-H325 HydrophobicContact CE-CB 3.53Å; M83-H325 WeakPolarHBondContact CE-CD2 3.46Å; M83-H325 HydrophobicContact SD-CB 4.12Å; P84-H325 PolarHBondContact O-ND1 3.17Å; S281-H325 WeakPolarHBondContact CA-O 3.34Å; S281-H325 WeakPolarHBondContact CB-O 3.4Å; S281-H325 PolarHBondContact OG-O 3.26Å; V285-H325 HydrophobicContact CG2-CB 4.31Å; S307-H325 PolarHBondContact OG-NE2 2.87Å; V308-H325 VanDerWaalsContact CG2-CD2 3.46Å; V308-H325 WeakPolarHBondContact CG2-CD2 3.45Å | ||
| 326 | G | 92.2 | Very high | 96.5 | Very high | 0 Ų | 0 | 13.4 Ų | 13.4 | 0% | 0 | 6% | 0.057 | C | C | . | . | trans | -142.2 | 122.7 | -176.7 | 0 | 0 | 0 | 0 | 0 | 111.2 | P84 G328 G329 L330 | P84-G326 VanDerWaalsContact CG-O 3.32Å; P84-G326 WeakPolarHBondContact CG-O 3.36Å; G326-G328 PolarHBondContact O-N 3.05Å; G326-G329 WeakPolarHBondContact O-CA 3.48Å; G326-G329 PolarHBondContact O-N 3.13Å; G326-L330 PolarHBondContact O-N 3.2Å | ||
| 327 | A | 96.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 13.7 Ų | 13.7 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -59.4 | -36.4 | -179.3 | 0 | 0 | 0 | 0 | 0 | 111.2 | N280 A284 V285 L288 G329 L330 A331 L385 | N280-A327 PolarHBondContact OD1-N 3.41Å; A284-A327 HydrophobicContact CB-CB 4.04Å; V285-A327 HydrophobicContact CG2-CB 3.96Å; L288-A327 HydrophobicContact CD2-CB 4.14Å; L288-A327 WeakPolarHBondContact CD2-O 3.33Å; A327-G329 VanDerWaalsContact C-N 3.34Å; A327-G329 PolarHBondContact O-N 3.13Å; A327-L330 PolarHBondContact O-N 2.95Å; A327-A331 WeakPolarHBondContact O-CB 3.22Å; A327-A331 PolarHBondContact O-N 3.5Å; A327-L385 HydrophobicContact CB-CD1 3.68Å; A327-L385 HydrophobicContact CB-CD2 4.45Å |
| 328 | G | 96 | Very high | 95.9 | Very high | 0 Ų | 0 | 8.8 Ų | 8.8 | 0% | 0 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -71 | -28.7 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | G326 G332 | G326-G328 PolarHBondContact O-N 3.05Å; G328-G332 PolarHBondContact O-N 2.75Å |
| 329 | G | 96.7 | Very high | 95.7 | Very high | 0 Ų | 0 | 7.3 Ų | 7.3 | 0% | 0 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -65.7 | -47.3 | 167.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | G326 A327 A331 G332 Q333 | G326-G329 WeakPolarHBondContact O-CA 3.48Å; G326-G329 PolarHBondContact O-N 3.13Å; A327-G329 VanDerWaalsContact C-N 3.34Å; A327-G329 PolarHBondContact O-N 3.13Å; G329-A331 VanDerWaalsContact C-N 3.28Å; G329-A331 PolarHBondContact O-N 3.3Å; G329-G332 PolarHBondContact O-N 2.66Å; G329-G332 VanDerWaalsContact O-N 3.11Å; G329-Q333 WeakPolarHBondContact O-CG 3.43Å; G329-Q333 PolarHBondContact O-N 3.28Å |
| 330 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.6 | -43.8 | 179.7 | 177.5 | 62.8 | 0 | 0 | 0 | 110 | I81 P82 P84 V285 L288 L292 F293 G326 A327 Q333 Y334 | I81-L330 HydrophobicContact CD1-CD1 4.36Å; P82-L330 HydrophobicContact CG-CD1 4.14Å; P82-L330 WeakPolarHBondContact O-CD1 3.3Å; P84-L330 HydrophobicContact CG-CB 4.27Å; V285-L330 HydrophobicContact CG1-CD2 4.24Å; L288-L330 HydrophobicContact CB-CD2 4.35Å; L288-L330 HydrophobicContact CD2-CB 4.28Å; L288-L330 HydrophobicContact CD2-CD2 4.14Å; L288-L330 HydrophobicContact CD2-CG 4.26Å; L288-L330 HydrophobicContact CG-CD2 4.2Å; L292-L330 HydrophobicContact CD1-CG 4.31Å; F293-L330 HydrophobicContact CE2-CD1 4.14Å; G326-L330 PolarHBondContact O-N 3.2Å; A327-L330 PolarHBondContact O-N 2.95Å; L330-Q333 PolarHBondContact O-N 3.01Å; L330-Y334 VanDerWaalsContact O-CB 3.27Å; L330-Y334 WeakPolarHBondContact O-CB 3.43Å; L330-Y334 PolarHBondContact O-N 3.4Å |
| 331 | A | 97.1 | Very high | 95.4 | Very high | 0 Ų | 0 | 6.8 Ų | 6.8 | 0% | 0 | 3% | 0.03 | C | C | . | . | H | α-helix | trans | -58.5 | -48 | 172.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | L288 A327 G329 Y334 R335 E384 L385 | L288-A331 HydrophobicContact CD2-CB 4.09Å; A327-A331 WeakPolarHBondContact O-CB 3.22Å; A327-A331 PolarHBondContact O-N 3.5Å; G329-A331 VanDerWaalsContact C-N 3.28Å; G329-A331 PolarHBondContact O-N 3.3Å; A331-Y334 PolarHBondContact O-N 2.92Å; A331-R335 WeakPolarHBondContact O-CB 3.38Å; A331-R335 PolarHBondContact O-N 2.8Å; A331-E384 HydrophobicContact CB-CB 4.01Å; A331-E384 HydrophobicContact CB-CG 3.93Å; A331-L385 HydrophobicContact CB-CB 3.85Å |
| 332 | G | 96 | Very high | 95.4 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.2 | -49.1 | 176.3 | 0 | 0 | 0 | 0 | 0 | 113.3 | G328 G329 Y334 R335 F336 S381 | G328-G332 PolarHBondContact O-N 2.75Å; G329-G332 PolarHBondContact O-N 2.66Å; G329-G332 VanDerWaalsContact O-N 3.11Å; G332-Y334 VanDerWaalsContact C-N 3.33Å; G332-Y334 PolarHBondContact O-N 3.11Å; G332-R335 PolarHBondContact O-N 2.98Å; G332-F336 WeakPolarHBondContact O-CD2 3.29Å; G332-F336 PolarHBondContact O-N 3.22Å; G332-F336 VanDerWaalsContact O-N 3.09Å; G332-S381 VanDerWaalsContact CA-OG 3.28Å; G332-S381 WeakPolarHBondContact CA-OG 3.46Å |
| 333 | Q | 96.1 | Very high | 95.2 | Very high | 0 Ų | 0 | 6.9 Ų | 6.9 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -62.1 | -41.5 | 178.5 | -63.6 | -175.3 | -14.7 | 0 | 0 | 111 | G38 D42 P82 G329 L330 G337 G338 | G38-Q333 VanDerWaalsContact CA-O 3.28Å; G38-Q333 WeakPolarHBondContact CA-O 3.5Å; G38-Q333 WeakPolarHBondContact O-CA 3.43Å; G38-Q333 WeakPolarHBondContact O-CB 3.35Å; G38-Q333 VanDerWaalsContact O-CG 3.25Å; G38-Q333 WeakPolarHBondContact O-CG 3.33Å; D42-Q333 HydrophobicContact CB-CG 4.06Å; D42-Q333 PolarHBondContact OD1-NE2 3.49Å; D42-Q333 PolarHBondContact OD2-NE2 3.35Å; P82-Q333 HydrophobicContact CB-CB 3.91Å; P82-Q333 VanDerWaalsContact CB-OE1 3.32Å; P82-Q333 HydrophobicContact CG-CB 4.43Å; P82-Q333 PolarHBondContact O-OE1 3.37Å; G329-Q333 WeakPolarHBondContact O-CG 3.43Å; G329-Q333 PolarHBondContact O-N 3.28Å; L330-Q333 PolarHBondContact O-N 3.01Å; Q333-G337 PolarHBondContact O-N 3.44Å; Q333-G338 WeakPolarHBondContact O-CA 3.34Å; Q333-G338 PolarHBondContact O-N 2.78Å |
| 334 | Y | 94.3 | Very high | 95.2 | Very high | 49 Ų | 49 | 6.9 Ų | 6.9 | 19% | 0.192 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -64 | -48.9 | 173.9 | -179.1 | -92.7 | 0 | 0 | 0 | 112.1 | L292 F293 L330 A331 G332 F336 G337 R339 | L292-Y334 HydrophobicContact CB-CD2 3.94Å; L292-Y334 HydrophobicContact CB-CE2 3.97Å; L292-Y334 HydrophobicContact CB-CG 4.38Å; L292-Y334 HydrophobicContact CD1-CD1 4.19Å; L292-Y334 HydrophobicContact CD1-CD2 4.12Å; L292-Y334 HydrophobicContact CD1-CG 3.78Å; L292-Y334 HydrophobicContact CD2-CD1 3.75Å; L292-Y334 HydrophobicContact CD2-CD2 4.33Å; L292-Y334 HydrophobicContact CD2-CE1 3.72Å; L292-Y334 HydrophobicContact CD2-CE2 4.29Å; L292-Y334 HydrophobicContact CD2-CG 4.07Å; L292-Y334 HydrophobicContact CG-CD1 4.46Å; L292-Y334 HydrophobicContact CG-CD2 4.36Å; L292-Y334 HydrophobicContact CG-CG 4.3Å; F293-Y334 AromaticContact CE1-CD2 3.93Å; F293-Y334 HydrophobicContact CE1-CD2 3.93Å; F293-Y334 HydrophobicContact CE1-CE2 4.15Å; F293-Y334 HydrophobicContact CE2-CD2 4.42Å; F293-Y334 AromaticContact CZ-CD2 3.68Å; F293-Y334 HydrophobicContact CZ-CD2 3.68Å; F293-Y334 HydrophobicContact CZ-CE2 4.31Å; L330-Y334 VanDerWaalsContact O-CB 3.27Å; L330-Y334 WeakPolarHBondContact O-CB 3.43Å; L330-Y334 PolarHBondContact O-N 3.4Å; A331-Y334 PolarHBondContact O-N 2.92Å; G332-Y334 VanDerWaalsContact C-N 3.33Å; G332-Y334 PolarHBondContact O-N 3.11Å; Y334-F336 PolarHBondContact O-N 2.83Å; Y334-F336 VanDerWaalsContact O-N 3.13Å; Y334-G337 PolarHBondContact O-N 3.38Å; Y334-R339 VanDerWaalsContact CE2-NE 3.31Å; Y334-R339 PolarHBondContact O-NH1 3.41Å; Y334-R339 PolarHBondContact O-NH2 3.31Å |
| 335 | R | 93 | Very high | 95.2 | Very high | 24 Ų | 24 | 7.3 Ų | 7.3 | 9% | 0.091 | 3% | 0.033 | C | C | . | . | H | α-helix | trans | -52.6 | -38.3 | 179.4 | 174.8 | 65.3 | -160 | -177.3 | 4.1 | 112.3 | T197 G198 S199 A331 G332 F380 E384 | T197-R335 PolarHBondContact OG1-NH2 2.79Å; G198-R335 PolarHBondContact O-NH2 3.16Å; S199-R335 PolarHBondContact O-NH1 2.98Å; A331-R335 WeakPolarHBondContact O-CB 3.38Å; A331-R335 PolarHBondContact O-N 2.8Å; G332-R335 PolarHBondContact O-N 2.98Å; R335-F380 HydrophobicContact CG-CB 4.19Å; R335-F380 HydrophobicContact CG-CD1 4.42Å; R335-E384 HydrophobicContact CB-CB 4.2Å; R335-E384 HydrophobicContact CB-CG 4.03Å; R335-E384 WeakPolarHBondContact CD-OE2 3.34Å; R335-E384 IonicContact NH1-OE2 3.49Å; R335-E384 PolarHBondContact NH1-OE2 3.45Å |
| 336 | F | 93.4 | Very high | 95.2 | Very high | 14 Ų | 14 | 10.2 Ų | 10.2 | 6% | 0.061 | 5% | 0.046 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -96.7 | 9.3 | -176.4 | -62.1 | -55 | 0 | 0 | 0 | 115.1 | G37 G38 I193 A223 G332 Y334 F380 | G37-F336 CarbonylContact C-O 3.59Å; G37-F336 WeakPolarHBondContact CA-O 3.16Å; G37-F336 VanDerWaalsContact O-CB 3.29Å; G37-F336 WeakPolarHBondContact O-CB 3.05Å; G38-F336 PolarHBondContact N-O 2.84Å; G38-F336 VanDerWaalsContact N-O 3.11Å; I193-F336 HydrophobicContact CD1-CE1 4.46Å; I193-F336 HydrophobicContact CG2-CE1 3.87Å; A223-F336 HydrophobicContact CB-CB 3.83Å; A223-F336 HydrophobicContact CB-CD1 3.45Å; A223-F336 VanDerWaalsContact CB-CD1 3.45Å; A223-F336 HydrophobicContact CB-CD2 4Å; A223-F336 HydrophobicContact CB-CE1 3.87Å; A223-F336 HydrophobicContact CB-CE2 4.38Å; A223-F336 HydrophobicContact CB-CG 3.49Å; A223-F336 VanDerWaalsContact CB-CG 3.49Å; A223-F336 HydrophobicContact CB-CZ 4.3Å; G332-F336 WeakPolarHBondContact O-CD2 3.29Å; G332-F336 PolarHBondContact O-N 3.22Å; G332-F336 VanDerWaalsContact O-N 3.09Å; Y334-F336 PolarHBondContact O-N 2.83Å; Y334-F336 VanDerWaalsContact O-N 3.13Å; F336-F380 HydrophobicContact CE1-CB 4.19Å; F336-F380 HydrophobicContact CE1-CG 4.28Å; F336-F380 HydrophobicContact CE2-CB 4.22Å; F336-F380 HydrophobicContact CZ-CB 3.54Å; F336-F380 HydrophobicContact CZ-CD2 4.23Å; F336-F380 HydrophobicContact CZ-CG 4.01Å |
| 337 | G | 91.1 | Very high | 95.5 | Very high | 8 Ų | 8 | 10.9 Ų | 10.9 | 8% | 0.082 | 5% | 0.05 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114 | -3.4 | 166.1 | 0 | 0 | 0 | 0 | 0 | 116 | S34 Q333 Y334 R339 | S34-G337 CarbonylContact C-O 3.57Å; S34-G337 CarbonylContact O-C 3.16Å; S34-G337 WeakPolarHBondContact O-CA 3.38Å; S34-G337 VanDerWaalsContact OG-CA 3.23Å; S34-G337 WeakPolarHBondContact OG-CA 3.31Å; S34-G337 PolarHBondContact OG-O 2.87Å; Q333-G337 PolarHBondContact O-N 3.44Å; Y334-G337 PolarHBondContact O-N 3.38Å; G337-R339 PolarHBondContact O-N 3.38Å |
| 338 | G | 93.4 | Very high | 95.5 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 5% | 0.051 | C | C | . | . | trans | -61.3 | 126 | 174.3 | 0 | 0 | 0 | 0 | 0 | 110.4 | E35 Q333 | E35-G338 WeakPolarHBondContact OE2-CA 3.4Å; Q333-G338 WeakPolarHBondContact O-CA 3.34Å; Q333-G338 PolarHBondContact O-N 2.78Å | ||
| 339 | R | 92.9 | Very high | 95.7 | Very high | 40 Ų | 40 | 15.8 Ų | 15.8 | 15% | 0.151 | 8% | 0.075 | C | C | . | . | trans | -132.5 | -11.1 | 179.2 | -67.9 | -61.9 | -179.9 | -78.6 | 5.7 | 113.4 | T30 E35 Y334 G337 | T30-R339 HydrophobicContact CG2-CB 4.05Å; T30-R339 HydrophobicContact CG2-CG 3.59Å; E35-R339 PolarHBondContact OE2-N 3.03Å; Y334-R339 VanDerWaalsContact CE2-NE 3.31Å; Y334-R339 PolarHBondContact O-NH1 3.41Å; Y334-R339 PolarHBondContact O-NH2 3.31Å; G337-R339 PolarHBondContact O-N 3.38Å | ||
| 340 | T | 94.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -140.6 | 173 | -176.9 | 68.7 | 0 | 0 | 0 | 0 | 111.2 | R27 K29 E35 G80 A342 S343 | R27-T340 WeakPolarHBondContact O-CG2 3.37Å; K29-T340 HydrophobicContact CB-CG2 3.87Å; K29-T340 HydrophobicContact CD-CG2 4.23Å; K29-T340 HydrophobicContact CG-CG2 3.73Å; E35-T340 VanDerWaalsContact CD-OG1 3.23Å; E35-T340 WeakPolarHBondContact OE1-CB 3.41Å; E35-T340 VanDerWaalsContact OE1-CG2 3.29Å; E35-T340 WeakPolarHBondContact OE1-CG2 3.34Å; E35-T340 PolarHBondContact OE1-N 2.87Å; E35-T340 PolarHBondContact OE1-OG1 3.13Å; E35-T340 PolarHBondContact OE2-N 3.04Å; G80-T340 WeakPolarHBondContact O-CA 3.23Å; T340-A342 PolarHBondContact O-N 3.31Å; T340-A342 VanDerWaalsContact O-N 3.13Å; T340-A342 VanDerWaalsContact OG1-CB 3.3Å; T340-A342 WeakPolarHBondContact OG1-CB 3.34Å; T340-A342 PolarHBondContact OG1-N 3.35Å; T340-S343 PolarHBondContact O-N 2.94Å |
| 341 | G | 95.2 | Very high | 95.7 | Very high | 0 Ų | 0 | 17.7 Ų | 17.7 | 0% | 0 | 9% | 0.093 | C | C | . | . | H | α-helix | trans | -61.2 | -16.1 | 172.7 | 0 | 0 | 0 | 0 | 0 | 113.5 | T25 G76 G80 S343 V344 V345 | T25-G341 PolarHBondContact O-N 3.27Å; G76-G341 WeakPolarHBondContact O-CA 3.41Å; G80-G341 VanDerWaalsContact C-N 3.3Å; G80-G341 PolarHBondContact O-N 3.49Å; G80-G341 VanDerWaalsContact O-N 3.13Å; G341-S343 VanDerWaalsContact C-N 3.26Å; G341-S343 PolarHBondContact O-N 2.7Å; G341-V344 VanDerWaalsContact O-CG2 3.28Å; G341-V344 WeakPolarHBondContact O-CG2 3.27Å; G341-V344 PolarHBondContact O-N 3.06Å; G341-V345 WeakPolarHBondContact O-CG2 3.48Å; G341-V345 PolarHBondContact O-N 3Å; G341-V345 VanDerWaalsContact O-N 3.09Å |
| 342 | A | 95.9 | Very high | 95.7 | Very high | 5 Ų | 5 | 20.5 Ų | 20.5 | 4% | 0.041 | 11% | 0.108 | C | C | . | . | H | α-helix | trans | -59.9 | -37.2 | 177.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | I26 L28 E35 T340 V344 V345 F346 | I26-A342 HydrophobicContact CB-CB 4.43Å; L28-A342 HydrophobicContact CD2-CB 3.63Å; E35-A342 HydrophobicContact CG-CB 4.49Å; T340-A342 PolarHBondContact O-N 3.31Å; T340-A342 VanDerWaalsContact O-N 3.13Å; T340-A342 VanDerWaalsContact OG1-CB 3.3Å; T340-A342 WeakPolarHBondContact OG1-CB 3.34Å; T340-A342 PolarHBondContact OG1-N 3.35Å; A342-V344 PolarHBondContact O-N 3.01Å; A342-V345 PolarHBondContact O-N 3.29Å; A342-F346 HydrophobicContact CB-CE2 4.11Å; A342-F346 WeakPolarHBondContact O-CD2 3.47Å; A342-F346 WeakPolarHBondContact O-CG 3.48Å; A342-F346 PolarHBondContact O-N 2.85Å |
| 343 | S | 95.4 | Very high | 95.8 | Very high | 0 Ų | 0 | 22.9 Ų | 22.9 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -56 | -52.5 | 179.2 | -172 | 0 | 0 | 0 | 0 | 112.2 | E35 A39 T340 G341 V345 F346 L347 | E35-S343 WeakPolarHBondContact O-CA 3.14Å; E35-S343 WeakPolarHBondContact O-CB 3.19Å; E35-S343 PolarHBondContact O-OG 3.33Å; E35-S343 WeakPolarHBondContact OE2-CB 3.37Å; A39-S343 WeakPolarHBondContact CA-OG 3.19Å; A39-S343 WeakPolarHBondContact CB-O 3.27Å; A39-S343 PolarHBondContact N-OG 3.42Å; T340-S343 PolarHBondContact O-N 2.94Å; G341-S343 VanDerWaalsContact C-N 3.26Å; G341-S343 PolarHBondContact O-N 2.7Å; S343-V345 VanDerWaalsContact C-N 3.34Å; S343-V345 PolarHBondContact O-N 3.47Å; S343-F346 PolarHBondContact O-N 3.33Å; S343-L347 PolarHBondContact O-N 3.2Å |
| 344 | V | 97.4 | Very high | 95.7 | Very high | 0 Ų | 0 | 25.4 Ų | 25.4 | 0% | 0 | 14% | 0.14 | C | C | . | . | H | α-helix | trans | -74 | -25.5 | 179.6 | -66.6 | 0 | 0 | 0 | 0 | 112.5 | N72 P82 G341 A342 L347 A348 | N72-V344 HydrophobicContact CB-CB 4.32Å; N72-V344 WeakPolarHBondContact CB-O 3.26Å; P82-V344 HydrophobicContact CB-CG1 4.44Å; G341-V344 VanDerWaalsContact O-CG2 3.28Å; G341-V344 WeakPolarHBondContact O-CG2 3.27Å; G341-V344 PolarHBondContact O-N 3.06Å; A342-V344 PolarHBondContact O-N 3.01Å; V344-L347 WeakPolarHBondContact O-CB 3.29Å; V344-L347 PolarHBondContact O-N 3.27Å; V344-A348 WeakPolarHBondContact O-CB 3.21Å; V344-A348 PolarHBondContact O-N 3.38Å |
| 345 | V | 97.9 | Very high | 95.8 | Very high | 13 Ų | 13 | 23 Ų | 23 | 8% | 0.079 | 13% | 0.131 | C | C | . | . | H | α-helix | trans | -67 | -41.1 | 169.5 | 169.3 | 0 | 0 | 0 | 0 | 111.3 | I26 F73 G341 A342 S343 L347 A348 I349 | I26-V345 HydrophobicContact CG2-CG2 4.06Å; F73-V345 HydrophobicContact CD2-CG1 4Å; F73-V345 HydrophobicContact CD2-CG2 4.23Å; F73-V345 HydrophobicContact CE2-CG1 4.01Å; G341-V345 WeakPolarHBondContact O-CG2 3.48Å; G341-V345 PolarHBondContact O-N 3Å; G341-V345 VanDerWaalsContact O-N 3.09Å; A342-V345 PolarHBondContact O-N 3.29Å; S343-V345 VanDerWaalsContact C-N 3.34Å; S343-V345 PolarHBondContact O-N 3.47Å; V345-L347 VanDerWaalsContact C-N 3.33Å; V345-A348 WeakPolarHBondContact O-CB 3.49Å; V345-A348 PolarHBondContact O-N 3.02Å; V345-I349 HydrophobicContact CG1-CD1 4.17Å; V345-I349 WeakPolarHBondContact O-CG1 3.35Å; V345-I349 PolarHBondContact O-N 2.68Å |
| 346 | F | 97.4 | Very high | 96 | Very high | 61 Ų | 61 | 26 Ų | 26 | 27% | 0.268 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -63 | -42 | 173 | -65.1 | -43.4 | 0 | 0 | 0 | 111.5 | L28 V32 E35 L36 A39 A342 S343 A348 I349 G350 | L28-F346 HydrophobicContact CD2-CE2 4.28Å; L28-F346 HydrophobicContact CD2-CZ 4.45Å; V32-F346 HydrophobicContact CG1-CE2 4.26Å; V32-F346 HydrophobicContact CG1-CZ 4.17Å; E35-F346 HydrophobicContact CB-CD2 4.09Å; E35-F346 HydrophobicContact CB-CE2 3.89Å; L36-F346 HydrophobicContact CD2-CB 3.74Å; L36-F346 HydrophobicContact CD2-CD1 4.49Å; L36-F346 HydrophobicContact CD2-CD2 3.92Å; L36-F346 HydrophobicContact CD2-CG 3.82Å; L36-F346 HydrophobicContact CG-CD2 4.18Å; A39-F346 HydrophobicContact CB-CB 4.34Å; A342-F346 HydrophobicContact CB-CE2 4.11Å; A342-F346 WeakPolarHBondContact O-CD2 3.47Å; A342-F346 WeakPolarHBondContact O-CG 3.48Å; A342-F346 PolarHBondContact O-N 2.85Å; S343-F346 PolarHBondContact O-N 3.33Å; F346-A348 VanDerWaalsContact C-N 3.31Å; F346-A348 PolarHBondContact O-N 3.44Å; F346-I349 PolarHBondContact O-N 2.95Å; F346-G350 PolarHBondContact O-N 2.87Å; F346-G350 VanDerWaalsContact O-N 3.08Å |
| 347 | L | 97.4 | Very high | 96.2 | Very high | 15 Ų | 15 | 28.2 Ų | 28.2 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -59.6 | -42.5 | 172.6 | -175.6 | 59.1 | 0 | 0 | 0 | 111.7 | A39 D42 L43 S343 V344 V345 G350 K351 | A39-L347 HydrophobicContact CB-CB 4.1Å; A39-L347 WeakPolarHBondContact O-CD1 3.15Å; A39-L347 WeakPolarHBondContact O-CD2 3.4Å; D42-L347 WeakPolarHBondContact OD1-CD2 3.39Å; L43-L347 HydrophobicContact CD2-CD1 4.17Å; S343-L347 PolarHBondContact O-N 3.2Å; V344-L347 WeakPolarHBondContact O-CB 3.29Å; V344-L347 PolarHBondContact O-N 3.27Å; V345-L347 VanDerWaalsContact C-N 3.33Å; L347-G350 PolarHBondContact O-N 3.26Å; L347-K351 HydrophobicContact CD1-CD 4.33Å; L347-K351 HydrophobicContact CD1-CG 4.28Å; L347-K351 HydrophobicContact CG-CD 4.06Å; L347-K351 HydrophobicContact CG-CG 4.4Å; L347-K351 WeakPolarHBondContact O-CB 3.35Å; L347-K351 WeakPolarHBondContact O-CG 3.44Å; L347-K351 PolarHBondContact O-N 2.8Å |
| 348 | A | 98.4 | Very high | 96.4 | Very high | 4 Ų | 4 | 29.9 Ų | 29.9 | 3% | 0.033 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -47.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | A69 N72 F73 V344 V345 F346 G350 K351 L352 | A69-A348 HydrophobicContact CB-CB 4.47Å; A69-A348 VanDerWaalsContact CB-O 3.31Å; A69-A348 WeakPolarHBondContact CB-O 3.4Å; A69-A348 WeakPolarHBondContact O-CB 3.2Å; N72-A348 HydrophobicContact CB-CB 3.78Å; F73-A348 HydrophobicContact CB-CB 4.07Å; V344-A348 WeakPolarHBondContact O-CB 3.21Å; V344-A348 PolarHBondContact O-N 3.38Å; V345-A348 WeakPolarHBondContact O-CB 3.49Å; V345-A348 PolarHBondContact O-N 3.02Å; F346-A348 VanDerWaalsContact C-N 3.31Å; F346-A348 PolarHBondContact O-N 3.44Å; A348-G350 VanDerWaalsContact C-N 3.31Å; A348-G350 PolarHBondContact O-N 2.9Å; A348-K351 PolarHBondContact O-N 3.42Å; A348-L352 VanDerWaalsContact O-CB 3.22Å; A348-L352 WeakPolarHBondContact O-CB 3.09Å; A348-L352 PolarHBondContact O-N 3.46Å |
| 349 | I | 98.2 | Very high | 96.4 | Very high | 99 Ų | 99 | 29.9 Ų | 29.9 | 51% | 0.508 | 17% | 0.168 | S | C | . | . | H | α-helix | trans | -58.7 | -46.1 | 177.5 | -67.5 | 164.3 | 0 | 0 | 0 | 110.3 | V345 F346 L352 A353 | V345-I349 HydrophobicContact CG1-CD1 4.17Å; V345-I349 WeakPolarHBondContact O-CG1 3.35Å; V345-I349 PolarHBondContact O-N 2.68Å; F346-I349 PolarHBondContact O-N 2.95Å; I349-L352 PolarHBondContact O-N 3.46Å; I349-A353 WeakPolarHBondContact O-CB 3.31Å; I349-A353 PolarHBondContact O-N 3.01Å |
| 350 | G | 97 | Very high | 96.4 | Very high | 33 Ų | 33 | 31.4 Ų | 31.4 | 34% | 0.34 | 18% | 0.18 | S | C | . | . | H | α-helix | trans | -61.5 | -50.4 | 177 | 0 | 0 | 0 | 0 | 0 | 112.8 | F346 L347 A348 L352 A353 L354 | F346-G350 PolarHBondContact O-N 2.87Å; F346-G350 VanDerWaalsContact O-N 3.08Å; L347-G350 PolarHBondContact O-N 3.26Å; A348-G350 VanDerWaalsContact C-N 3.31Å; A348-G350 PolarHBondContact O-N 2.9Å; G350-L352 VanDerWaalsContact C-N 3.33Å; G350-L352 PolarHBondContact O-N 3.41Å; G350-A353 PolarHBondContact O-N 2.88Å; G350-L354 VanDerWaalsContact O-CG 3.26Å; G350-L354 WeakPolarHBondContact O-CG 3.28Å; G350-L354 PolarHBondContact O-N 3.46Å |
| 351 | K | 97.4 | Very high | 96.4 | Very high | 7 Ų | 7 | 32.2 Ų | 32.2 | 3% | 0.03 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -60.3 | -41.9 | 177.4 | -74.6 | 178.6 | 178.2 | 172.8 | 0 | 111.9 | L65 A69 N72 L347 A348 L354 G355 | L65-K351 HydrophobicContact CD2-CB 4.37Å; L65-K351 HydrophobicContact CD2-CG 4.15Å; A69-K351 HydrophobicContact CB-CB 3.8Å; N72-K351 PolarHBondContact ND2-NZ 3Å; L347-K351 HydrophobicContact CD1-CD 4.33Å; L347-K351 HydrophobicContact CD1-CG 4.28Å; L347-K351 HydrophobicContact CG-CD 4.06Å; L347-K351 HydrophobicContact CG-CG 4.4Å; L347-K351 WeakPolarHBondContact O-CB 3.35Å; L347-K351 WeakPolarHBondContact O-CG 3.44Å; L347-K351 PolarHBondContact O-N 2.8Å; A348-K351 PolarHBondContact O-N 3.42Å; K351-L354 PolarHBondContact O-N 2.9Å; K351-G355 PolarHBondContact O-N 3.36Å |
| 352 | L | 97.9 | Very high | 96.4 | Very high | 58 Ų | 58 | 32.9 Ų | 32.9 | 30% | 0.304 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -65.8 | -45.9 | 178.9 | -172.7 | 62.6 | 0 | 0 | 0 | 111 | I66 A69 A348 I349 G350 L354 G355 L356 | I66-L352 HydrophobicContact CG2-CD1 4.33Å; A69-L352 HydrophobicContact CB-CB 3.76Å; A69-L352 HydrophobicContact CB-CD1 4.41Å; A348-L352 VanDerWaalsContact O-CB 3.22Å; A348-L352 WeakPolarHBondContact O-CB 3.09Å; A348-L352 PolarHBondContact O-N 3.46Å; I349-L352 PolarHBondContact O-N 3.46Å; G350-L352 VanDerWaalsContact C-N 3.33Å; G350-L352 PolarHBondContact O-N 3.41Å; L352-L354 PolarHBondContact O-N 2.92Å; L352-G355 PolarHBondContact O-N 2.69Å; L352-L356 HydrophobicContact CD1-CD1 3.96Å; L352-L356 HydrophobicContact CD1-CG 4.06Å; L352-L356 HydrophobicContact CD2-CD1 4.49Å; L352-L356 HydrophobicContact CG-CD1 3.83Å; L352-L356 HydrophobicContact CG-CG 4.28Å; L352-L356 WeakPolarHBondContact O-CB 3.41Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.46Å; L352-L356 PolarHBondContact O-N 2.93Å |
| 353 | A | 97.5 | Very high | 96.2 | Very high | 50 Ų | 50 | 33.5 Ų | 33.5 | 41% | 0.413 | 19% | 0.191 | S | C | . | . | H | α-helix | trans | -59.1 | -47.2 | 176.2 | 0 | 0 | 0 | 0 | 0 | 111.1 | I349 G350 L356 V357 | I349-A353 WeakPolarHBondContact O-CB 3.31Å; I349-A353 PolarHBondContact O-N 3.01Å; G350-A353 PolarHBondContact O-N 2.88Å; A353-L356 PolarHBondContact O-N 2.89Å; A353-V357 WeakPolarHBondContact O-CB 3.3Å; A353-V357 WeakPolarHBondContact O-CG2 3.31Å; A353-V357 PolarHBondContact O-N 3.28Å |
| 354 | L | 95.4 | Very high | 96.1 | Very high | 53 Ų | 53 | 35.7 Ų | 35.7 | 28% | 0.277 | 21% | 0.205 | S | C | . | . | H | α-helix | trans | -63 | -43.9 | 177.8 | -67.3 | 169.7 | 0 | 0 | 0 | 112.2 | L65 G350 K351 L352 F358 G359 F362 | L65-L354 HydrophobicContact CD1-CB 4.28Å; G350-L354 VanDerWaalsContact O-CG 3.26Å; G350-L354 WeakPolarHBondContact O-CG 3.28Å; G350-L354 PolarHBondContact O-N 3.46Å; K351-L354 PolarHBondContact O-N 2.9Å; L352-L354 PolarHBondContact O-N 2.92Å; L354-F358 HydrophobicContact CD2-CD2 3.76Å; L354-F358 HydrophobicContact CD2-CE2 3.8Å; L354-F358 PolarHBondContact O-N 3.39Å; L354-G359 PolarHBondContact O-N 2.98Å; L354-F362 HydrophobicContact CD1-CE1 4Å; L354-F362 HydrophobicContact CD1-CE2 4.08Å; L354-F362 HydrophobicContact CD1-CZ 3.65Å; L354-F362 HydrophobicContact CD2-CD2 4.07Å; L354-F362 HydrophobicContact CD2-CE2 3.68Å; L354-F362 HydrophobicContact CD2-CZ 4.14Å; L354-F362 HydrophobicContact CG-CE2 4.35Å; L354-F362 HydrophobicContact CG-CZ 4.38Å |
| 355 | G | 96.2 | Very high | 95.9 | Very high | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -66 | -37.8 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | K351 L352 G359 | K351-G355 PolarHBondContact O-N 3.36Å; L352-G355 PolarHBondContact O-N 2.69Å; G355-G359 WeakPolarHBondContact O-CA 3.5Å; G355-G359 PolarHBondContact O-N 2.84Å |
| 356 | L | 96.8 | Very high | 95.6 | Very high | 85 Ų | 85 | 35.6 Ų | 35.6 | 45% | 0.445 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -78.2 | -34.8 | 177.9 | -68.1 | 178.1 | 0 | 0 | 0 | 113.1 | I66 G248 P249 L352 A353 | I66-L356 HydrophobicContact CD1-CD2 4.14Å; I66-L356 HydrophobicContact CG1-CD2 4.44Å; G248-L356 CarbonylContact C-O 3.49Å; G248-L356 VanDerWaalsContact C-O 3.24Å; P249-L356 HydrophobicContact CB-CD2 4.28Å; P249-L356 WeakPolarHBondContact CD-O 3.36Å; P249-L356 VanDerWaalsContact N-O 3.12Å; L352-L356 HydrophobicContact CD1-CD1 3.96Å; L352-L356 HydrophobicContact CD1-CG 4.06Å; L352-L356 HydrophobicContact CD2-CD1 4.49Å; L352-L356 HydrophobicContact CG-CD1 3.83Å; L352-L356 HydrophobicContact CG-CG 4.28Å; L352-L356 WeakPolarHBondContact O-CB 3.41Å; L352-L356 VanDerWaalsContact O-CG 3.26Å; L352-L356 WeakPolarHBondContact O-CG 3.46Å; L352-L356 PolarHBondContact O-N 2.93Å; A353-L356 PolarHBondContact O-N 2.89Å |
| 357 | V | 96.5 | Very high | 95.3 | Very high | 62 Ų | 62 | 34.5 Ų | 34.5 | 38% | 0.376 | 21% | 0.209 | S | C | . | . | H | α-helix | trans | -85.6 | -43.3 | -175.8 | 175.7 | 0 | 0 | 0 | 0 | 111.8 | F247 G248 A353 | F247-V357 CarbonylContact C-O 3.52Å; F247-V357 VanDerWaalsContact CA-O 3.25Å; F247-V357 WeakPolarHBondContact CA-O 3.29Å; F247-V357 HydrophobicContact CD1-CG1 3.87Å; F247-V357 HydrophobicContact CE1-CG1 4.07Å; G248-V357 PolarHBondContact N-O 2.97Å; A353-V357 WeakPolarHBondContact O-CB 3.3Å; A353-V357 WeakPolarHBondContact O-CG2 3.31Å; A353-V357 PolarHBondContact O-N 3.28Å |
| 358 | F | 95.3 | Very high | 95.1 | Very high | 42 Ų | 42 | 36.5 Ų | 36.5 | 18% | 0.184 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -112.1 | -16.7 | -172.3 | -58.3 | -64.8 | 0 | 0 | 0 | 113.9 | L245 F247 G248 L354 N360 S361 F362 | L245-F358 HydrophobicContact CD1-CD1 4.48Å; L245-F358 HydrophobicContact CD1-CE1 4.14Å; L245-F358 HydrophobicContact CD2-CD1 3.81Å; L245-F358 HydrophobicContact CD2-CE1 4.28Å; L245-F358 HydrophobicContact CD2-CG 4.41Å; F247-F358 HydrophobicContact CD1-CE1 4.4Å; F247-F358 HydrophobicContact CE1-CD1 4.4Å; F247-F358 AromaticContact CE1-CE1 3.84Å; F247-F358 HydrophobicContact CE1-CE1 3.84Å; F247-F358 HydrophobicContact CZ-CE1 4.44Å; G248-F358 CarbonylContact O-C 3.24Å; L354-F358 HydrophobicContact CD2-CD2 3.76Å; L354-F358 HydrophobicContact CD2-CE2 3.8Å; L354-F358 PolarHBondContact O-N 3.39Å; F358-N360 PolarHBondContact O-N 2.71Å; F358-S361 WeakPolarHBondContact O-CB 3.36Å; F358-S361 PolarHBondContact O-N 2.82Å; F358-S361 PolarHBondContact O-OG 3.12Å; F358-F362 HydrophobicContact CB-CB 4.07Å; F358-F362 HydrophobicContact CD2-CD2 4.31Å |
| 359 | G | 94 | Very high | 94.9 | Very high | 1 Ų | 1 | 36.4 Ų | 36.4 | 1% | 0.01 | 22% | 0.217 | C | C | . | . | G | 310 helix | trans | 51.6 | -133.1 | -178.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | G248 L354 G355 S361 F362 | G248-G359 PolarHBondContact O-N 2.83Å; L354-G359 PolarHBondContact O-N 2.98Å; G355-G359 WeakPolarHBondContact O-CA 3.5Å; G355-G359 PolarHBondContact O-N 2.84Å; G359-S361 VanDerWaalsContact C-N 3.28Å; G359-S361 PolarHBondContact O-N 3.38Å; G359-F362 PolarHBondContact O-N 3.15Å |
| 360 | N | 93.7 | Very high | 94.8 | Very high | 72 Ų | 72 | 31.7 Ų | 31.7 | 39% | 0.385 | 19% | 0.193 | S | C | . | . | G | 310 helix | trans | -71.1 | -19.2 | 179.1 | -162.8 | 55.2 | 0 | 0 | 0 | 114 | D60 L61 F358 F362 V363 | D60-N360 WeakPolarHBondContact OD2-CB 3.49Å; L61-N360 PolarHBondContact N-OD1 3.43Å; F358-N360 PolarHBondContact O-N 2.71Å; N360-F362 PolarHBondContact O-N 2.85Å; N360-F362 VanDerWaalsContact O-N 3.15Å; N360-V363 WeakPolarHBondContact O-CB 3.48Å; N360-V363 VanDerWaalsContact O-CG2 3.28Å; N360-V363 WeakPolarHBondContact O-CG2 3.36Å; N360-V363 PolarHBondContact O-N 2.82Å; N360-V363 VanDerWaalsContact O-N 3.17Å |
| 361 | S | 93.8 | Very high | 94.6 | Very high | 16 Ų | 16 | 30.5 Ų | 30.5 | 11% | 0.112 | 18% | 0.179 | C | C | . | . | G | 310 helix | trans | -68.1 | -13.3 | 178.7 | 74.7 | 0 | 0 | 0 | 0 | 113.1 | R246 F358 G359 V363 T364 | R246-S361 PolarHBondContact N-OG 2.82Å; R246-S361 VanDerWaalsContact N-OG 3.09Å; R246-S361 PolarHBondContact O-OG 3.25Å; F358-S361 WeakPolarHBondContact O-CB 3.36Å; F358-S361 PolarHBondContact O-N 2.82Å; F358-S361 PolarHBondContact O-OG 3.12Å; G359-S361 VanDerWaalsContact C-N 3.28Å; G359-S361 PolarHBondContact O-N 3.38Å; S361-V363 PolarHBondContact O-N 3.29Å; S361-V363 VanDerWaalsContact O-N 3.16Å; S361-T364 WeakPolarHBondContact O-CB 3.46Å; S361-T364 PolarHBondContact O-N 2.92Å; S361-T364 PolarHBondContact O-OG1 3.3Å |
| 362 | F | 94.1 | Very high | 94.5 | Very high | 15 Ų | 15 | 30.1 Ų | 30.1 | 7% | 0.066 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -61.7 | -20.1 | 172.5 | -168.3 | -117.3 | 0 | 0 | 0 | 113.1 | L61 L65 L354 F358 G359 N360 T364 I365 L366 | L61-F362 HydrophobicContact CD2-CB 4.22Å; L61-F362 HydrophobicContact CD2-CD1 3.89Å; L65-F362 HydrophobicContact CD1-CD1 3.75Å; L65-F362 HydrophobicContact CD1-CE1 4.41Å; L65-F362 HydrophobicContact CD1-CG 4.4Å; L354-F362 HydrophobicContact CD1-CE1 4Å; L354-F362 HydrophobicContact CD1-CE2 4.08Å; L354-F362 HydrophobicContact CD1-CZ 3.65Å; L354-F362 HydrophobicContact CD2-CD2 4.07Å; L354-F362 HydrophobicContact CD2-CE2 3.68Å; L354-F362 HydrophobicContact CD2-CZ 4.14Å; L354-F362 HydrophobicContact CG-CE2 4.35Å; L354-F362 HydrophobicContact CG-CZ 4.38Å; F358-F362 HydrophobicContact CB-CB 4.07Å; F358-F362 HydrophobicContact CD2-CD2 4.31Å; G359-F362 PolarHBondContact O-N 3.15Å; N360-F362 PolarHBondContact O-N 2.85Å; N360-F362 VanDerWaalsContact O-N 3.15Å; F362-T364 PolarHBondContact O-N 3.13Å; F362-I365 HydrophobicContact CD2-CB 4.08Å; F362-I365 HydrophobicContact CD2-CD1 3.75Å; F362-I365 HydrophobicContact CD2-CG1 4.45Å; F362-I365 HydrophobicContact CD2-CG2 4.49Å; F362-I365 HydrophobicContact CE2-CB 4.04Å; F362-I365 HydrophobicContact CE2-CD1 3.98Å; F362-I365 HydrophobicContact CE2-CG2 3.94Å; F362-I365 PolarHBondContact O-N 3.23Å; F362-L366 HydrophobicContact CD1-CD1 3.84Å; F362-L366 HydrophobicContact CD1-CD2 4.36Å; F362-L366 HydrophobicContact CD1-CG 3.78Å; F362-L366 HydrophobicContact CE1-CD1 3.66Å; F362-L366 HydrophobicContact CE1-CD2 3.53Å; F362-L366 HydrophobicContact CE1-CG 3.45Å; F362-L366 VanDerWaalsContact CE1-CG 3.45Å; F362-L366 HydrophobicContact CZ-CD2 3.72Å; F362-L366 HydrophobicContact CZ-CG 3.98Å; F362-L366 PolarHBondContact O-N 3.3Å |
| 363 | V | 93.2 | Very high | 94.4 | Very high | 17 Ų | 17 | 27.4 Ų | 27.4 | 10% | 0.103 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -56.1 | -37.6 | 171.9 | 175.2 | 0 | 0 | 0 | 0 | 110.9 | L51 L55 L61 N360 S361 I365 L366 G367 | L51-V363 HydrophobicContact CD1-CG1 4.08Å; L55-V363 HydrophobicContact CD2-CG1 3.59Å; L55-V363 HydrophobicContact CG-CG1 4.16Å; L61-V363 HydrophobicContact CB-CG2 3.62Å; L61-V363 HydrophobicContact CD2-CB 4.32Å; L61-V363 HydrophobicContact CD2-CG2 3.48Å; L61-V363 VanDerWaalsContact CD2-CG2 3.48Å; L61-V363 HydrophobicContact CG-CG2 4.19Å; N360-V363 WeakPolarHBondContact O-CB 3.48Å; N360-V363 VanDerWaalsContact O-CG2 3.28Å; N360-V363 WeakPolarHBondContact O-CG2 3.36Å; N360-V363 PolarHBondContact O-N 2.82Å; N360-V363 VanDerWaalsContact O-N 3.17Å; S361-V363 PolarHBondContact O-N 3.29Å; S361-V363 VanDerWaalsContact O-N 3.16Å; V363-I365 PolarHBondContact O-N 3.14Å; V363-L366 PolarHBondContact O-N 2.96Å; V363-G367 PolarHBondContact O-N 3.28Å |
| 364 | T | 91.8 | Very high | 94.3 | Very high | 47 Ų | 47 | 25 Ų | 25 | 29% | 0.288 | 14% | 0.143 | S | C | . | . | H | α-helix | trans | -63.2 | -40.2 | 179.2 | -49.7 | 0 | 0 | 0 | 0 | 111.7 | I241 D244 S361 F362 | I241-T364 HydrophobicContact CG1-CG2 4.23Å; I241-T364 HydrophobicContact CG2-CG2 4.41Å; D244-T364 HydrophobicContact CB-CG2 4.31Å; S361-T364 WeakPolarHBondContact O-CB 3.46Å; S361-T364 PolarHBondContact O-N 2.92Å; S361-T364 PolarHBondContact O-OG1 3.3Å; F362-T364 PolarHBondContact O-N 3.13Å |
| 365 | I | 93.7 | Very high | 94.3 | Very high | 6 Ų | 6 | 22.5 Ų | 22.5 | 3% | 0.031 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -67.2 | -49.9 | 174.4 | -67.6 | 164.9 | 0 | 0 | 0 | 110.2 | C234 F235 I241 L245 F362 V363 G367 Q368 F369 | C234-I365 HydrophobicContact CB-CG2 4.3Å; F235-I365 HydrophobicContact CE1-CD1 4.45Å; F235-I365 HydrophobicContact CE1-CG1 4.39Å; F235-I365 HydrophobicContact CZ-CD1 4.07Å; F235-I365 HydrophobicContact CZ-CG1 4.23Å; I241-I365 HydrophobicContact CG2-CG1 3.58Å; L245-I365 HydrophobicContact CD1-CD1 4.18Å; L245-I365 HydrophobicContact CD2-CD1 3.66Å; L245-I365 HydrophobicContact CD2-CG1 4.09Å; L245-I365 HydrophobicContact CG-CD1 4.48Å; F362-I365 HydrophobicContact CD2-CB 4.08Å; F362-I365 HydrophobicContact CD2-CD1 3.75Å; F362-I365 HydrophobicContact CD2-CG1 4.45Å; F362-I365 HydrophobicContact CD2-CG2 4.49Å; F362-I365 HydrophobicContact CE2-CB 4.04Å; F362-I365 HydrophobicContact CE2-CD1 3.98Å; F362-I365 HydrophobicContact CE2-CG2 3.94Å; F362-I365 PolarHBondContact O-N 3.23Å; V363-I365 PolarHBondContact O-N 3.14Å; I365-G367 VanDerWaalsContact C-N 3.27Å; I365-G367 PolarHBondContact O-N 3.18Å; I365-Q368 PolarHBondContact O-N 2.85Å; I365-Q368 VanDerWaalsContact O-N 3.09Å; I365-F369 PolarHBondContact O-N 3.4Å |
| 366 | L | 92 | Very high | 94.4 | Very high | 4 Ų | 4 | 22.5 Ų | 22.5 | 2% | 0.021 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -63.5 | -33.2 | -177.8 | -70.7 | -172.3 | 0 | 0 | 0 | 112.9 | I47 L51 L61 F362 V363 Q368 F369 | I47-L366 HydrophobicContact CD1-CD2 4.21Å; I47-L366 HydrophobicContact CG2-CD1 4.38Å; I47-L366 HydrophobicContact CG2-CD2 4.24Å; L51-L366 HydrophobicContact CD1-CB 3.99Å; L61-L366 HydrophobicContact CD2-CD1 3.7Å; F362-L366 HydrophobicContact CD1-CD1 3.84Å; F362-L366 HydrophobicContact CD1-CD2 4.36Å; F362-L366 HydrophobicContact CD1-CG 3.78Å; F362-L366 HydrophobicContact CE1-CD1 3.66Å; F362-L366 HydrophobicContact CE1-CD2 3.53Å; F362-L366 HydrophobicContact CE1-CG 3.45Å; F362-L366 VanDerWaalsContact CE1-CG 3.45Å; F362-L366 HydrophobicContact CZ-CD2 3.72Å; F362-L366 HydrophobicContact CZ-CG 3.98Å; F362-L366 PolarHBondContact O-N 3.3Å; V363-L366 PolarHBondContact O-N 2.96Å; L366-Q368 PolarHBondContact O-N 3.27Å; L366-F369 WeakPolarHBondContact O-CB 3.5Å; L366-F369 PolarHBondContact O-N 3.01Å; L366-F369 VanDerWaalsContact O-N 3.13Å |
| 367 | G | 90.5 | Very high | 94.3 | Very high | 38 Ų | 38 | 18.5 Ų | 18.5 | 39% | 0.392 | 11% | 0.109 | S | C | . | . | H | α-helix | trans | -61.3 | -23 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113.6 | V363 I365 | V363-G367 PolarHBondContact O-N 3.28Å; I365-G367 VanDerWaalsContact C-N 3.27Å; I365-G367 PolarHBondContact O-N 3.18Å |
| 368 | Q | 93.1 | Very high | 94.3 | Very high | 57 Ų | 57 | 15.8 Ų | 15.8 | 27% | 0.266 | 9% | 0.092 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.8 | -1.8 | 178.7 | -60.6 | -61.3 | -18.2 | 0 | 0 | 113.5 | C234 R237 D238 I241 I365 L366 | C234-Q368 HydrophobicContact CB-CB 4.12Å; R237-Q368 WeakPolarHBondContact CD-O 3.37Å; R237-Q368 PolarHBondContact NE-O 3.37Å; D238-Q368 HydrophobicContact CB-CG 3.97Å; I241-Q368 HydrophobicContact CD1-CB 3.95Å; I241-Q368 HydrophobicContact CD1-CG 3.77Å; I241-Q368 HydrophobicContact CG1-CG 4.26Å; I365-Q368 PolarHBondContact O-N 2.85Å; I365-Q368 VanDerWaalsContact O-N 3.09Å; L366-Q368 PolarHBondContact O-N 3.27Å |
| 369 | F | 95 | Very high | 94.5 | Very high | 2 Ų | 2 | 15.3 Ų | 15.3 | 1% | 0.009 | 9% | 0.092 | C | C | . | . | S | Bend | trans | -65.9 | 131.8 | -179.5 | -164.1 | -80.3 | 0 | 0 | 0 | 110.9 | F227 G230 L231 C234 I365 L366 I371 I373 L374 | F227-F369 AromaticContact CD2-CE2 3.81Å; F227-F369 HydrophobicContact CD2-CE2 3.81Å; F227-F369 AromaticContact CD2-CZ 3.56Å; F227-F369 HydrophobicContact CD2-CZ 3.56Å; F227-F369 AromaticContact CE2-CE2 3.62Å; F227-F369 HydrophobicContact CE2-CE2 3.62Å; F227-F369 AromaticContact CE2-CZ 3.78Å; F227-F369 HydrophobicContact CE2-CZ 3.78Å; F227-F369 HydrophobicContact CG-CZ 4.47Å; F227-F369 HydrophobicContact CZ-CE2 4.35Å; G230-F369 VanDerWaalsContact C-CE2 3.48Å; L231-F369 HydrophobicContact CD2-CD2 4.05Å; L231-F369 HydrophobicContact CD2-CE2 3.99Å; L231-F369 HydrophobicContact CG-CE2 4.09Å; C234-F369 WeakPolarHBondContact SG-CA 3.42Å; I365-F369 PolarHBondContact O-N 3.4Å; L366-F369 WeakPolarHBondContact O-CB 3.5Å; L366-F369 PolarHBondContact O-N 3.01Å; L366-F369 VanDerWaalsContact O-N 3.13Å; F369-I371 VanDerWaalsContact O-CD1 3.25Å; F369-I371 WeakPolarHBondContact O-CD1 3.45Å; F369-I371 PolarHBondContact O-N 3.33Å; F369-I373 HydrophobicContact CE1-CB 4.17Å; F369-I373 HydrophobicContact CE1-CG2 3.89Å; F369-I373 HydrophobicContact CZ-CG2 4.19Å; F369-L374 HydrophobicContact CD1-CD1 3.84Å; F369-L374 HydrophobicContact CD1-CD2 4.06Å; F369-L374 HydrophobicContact CD1-CG 3.64Å; F369-L374 HydrophobicContact CE1-CD1 4.34Å; F369-L374 HydrophobicContact CE1-CD2 3.74Å; F369-L374 HydrophobicContact CE1-CG 3.64Å; F369-L374 HydrophobicContact CZ-CD2 4.43Å |
| 370 | P | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 10% | 0.096 | C | C | . | . | trans | -61 | 108.5 | 179.2 | -24 | 33.9 | 0 | 0 | 0 | 112.2 | D181 L185 G230 L233 G372 I373 L374 | D181-P370 HydrophobicContact CB-CB 4.02Å; D181-P370 VanDerWaalsContact CG-CA 3.47Å; D181-P370 VanDerWaalsContact OD1-C 3.28Å; D181-P370 VanDerWaalsContact OD1-CA 3.23Å; D181-P370 WeakPolarHBondContact OD1-CA 3.35Å; D181-P370 VanDerWaalsContact OD1-CB 3.3Å; D181-P370 WeakPolarHBondContact OD1-CB 3.26Å; L185-P370 HydrophobicContact CD2-CB 4.31Å; G230-P370 WeakPolarHBondContact O-CD 3.34Å; L233-P370 HydrophobicContact CB-CG 3.88Å; L233-P370 HydrophobicContact CD1-CG 4.01Å; P370-G372 PolarHBondContact O-N 3.2Å; P370-I373 HydrophobicContact CB-CB 4.47Å; P370-I373 HydrophobicContact CB-CD1 4.08Å; P370-I373 HydrophobicContact CB-CG1 4.37Å; P370-I373 HydrophobicContact CG-CD1 4.32Å; P370-I373 WeakPolarHBondContact O-CB 3.42Å; P370-I373 PolarHBondContact O-N 3.47Å; P370-L374 PolarHBondContact O-N 2.96Å | ||
| 371 | I | 93.6 | Very high | 94.7 | Very high | 8 Ų | 8 | 12.9 Ų | 12.9 | 4% | 0.041 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -69 | -25.1 | -174.9 | -54.9 | -52.5 | 0 | 0 | 0 | 111.4 | Y156 Q161 F163 D181 F369 I373 L374 G375 | Y156-I371 HydrophobicContact CD1-CG2 4.37Å; Y156-I371 HydrophobicContact CD2-CG2 3.92Å; Y156-I371 HydrophobicContact CE2-CG2 4.47Å; Y156-I371 HydrophobicContact CG-CG2 3.86Å; Q161-I371 HydrophobicContact CB-CG2 3.95Å; Q161-I371 HydrophobicContact CG-CG2 3.8Å; F163-I371 HydrophobicContact CD2-CD1 4.15Å; F163-I371 HydrophobicContact CD2-CG1 4.44Å; F163-I371 HydrophobicContact CE2-CD1 3.54Å; F163-I371 HydrophobicContact CE2-CG1 3.8Å; F163-I371 HydrophobicContact CE2-CG2 3.97Å; F163-I371 HydrophobicContact CZ-CG2 4.24Å; D181-I371 PolarHBondContact OD1-N 3.5Å; D181-I371 VanDerWaalsContact OD1-N 3.12Å; D181-I371 PolarHBondContact OD2-N 2.9Å; F369-I371 VanDerWaalsContact O-CD1 3.25Å; F369-I371 WeakPolarHBondContact O-CD1 3.45Å; F369-I371 PolarHBondContact O-N 3.33Å; I371-I373 VanDerWaalsContact C-N 3.26Å; I371-I373 PolarHBondContact O-N 3.4Å; I371-L374 HydrophobicContact CD1-CD1 3.8Å; I371-L374 PolarHBondContact O-N 2.93Å; I371-G375 PolarHBondContact O-N 3.46Å |
| 372 | G | 94.8 | Very high | 94.8 | Very high | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 7% | 0.072 | C | C | . | . | H | α-helix | trans | -56.9 | -40.6 | 170.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | D181 P370 G375 V376 | D181-G372 PolarHBondContact OD1-N 3.31Å; D181-G372 VanDerWaalsContact OD1-N 3.09Å; P370-G372 PolarHBondContact O-N 3.2Å; G372-G375 PolarHBondContact O-N 3.12Å; G372-V376 WeakPolarHBondContact O-CG2 3.21Å; G372-V376 PolarHBondContact O-N 2.99Å; G372-V376 VanDerWaalsContact O-N 3.08Å |
| 373 | I | 96.4 | Very high | 95 | Very high | 1 Ų | 1 | 14.9 Ų | 14.9 | 1% | 0.005 | 9% | 0.087 | C | C | . | . | H | α-helix | trans | -66.5 | -44.6 | 176.9 | -75.9 | 169.8 | 0 | 0 | 0 | 111.1 | L185 A189 V226 F369 P370 I371 G375 V376 M377 | L185-I373 HydrophobicContact CD2-CD1 4.14Å; L185-I373 HydrophobicContact CG-CD1 4.33Å; A189-I373 HydrophobicContact CB-CG1 4.37Å; V226-I373 HydrophobicContact CG1-CB 4.37Å; V226-I373 HydrophobicContact CG1-CG1 4.2Å; V226-I373 HydrophobicContact CG1-CG2 3.4Å; F369-I373 HydrophobicContact CE1-CB 4.17Å; F369-I373 HydrophobicContact CE1-CG2 3.89Å; F369-I373 HydrophobicContact CZ-CG2 4.19Å; P370-I373 HydrophobicContact CB-CB 4.47Å; P370-I373 HydrophobicContact CB-CD1 4.08Å; P370-I373 HydrophobicContact CB-CG1 4.37Å; P370-I373 HydrophobicContact CG-CD1 4.32Å; P370-I373 WeakPolarHBondContact O-CB 3.42Å; P370-I373 PolarHBondContact O-N 3.47Å; I371-I373 VanDerWaalsContact C-N 3.26Å; I371-I373 PolarHBondContact O-N 3.4Å; I373-G375 VanDerWaalsContact C-N 3.26Å; I373-G375 PolarHBondContact O-N 3.47Å; I373-V376 WeakPolarHBondContact O-CB 3.12Å; I373-V376 PolarHBondContact O-N 2.82Å; I373-V376 VanDerWaalsContact O-N 3.13Å; I373-M377 HydrophobicContact CG2-SD 4.35Å; I373-M377 PolarHBondContact O-N 2.96Å; I373-M377 VanDerWaalsContact O-N 3.08Å |
| 374 | L | 94.9 | Very high | 95.1 | Very high | 0 Ų | 0 | 15.4 Ų | 15.4 | 0% | 0 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -60.6 | -39.3 | 175.4 | -67.6 | 175.1 | 0 | 0 | 0 | 111.4 | I47 P48 F369 P370 I371 V376 M377 L378 | I47-L374 HydrophobicContact CB-CD1 4.15Å; I47-L374 HydrophobicContact CB-CD2 4.43Å; I47-L374 HydrophobicContact CD1-CD2 3.99Å; I47-L374 HydrophobicContact CG2-CD1 3.7Å; P48-L374 HydrophobicContact CG-CD1 4.44Å; F369-L374 HydrophobicContact CD1-CD1 3.84Å; F369-L374 HydrophobicContact CD1-CD2 4.06Å; F369-L374 HydrophobicContact CD1-CG 3.64Å; F369-L374 HydrophobicContact CE1-CD1 4.34Å; F369-L374 HydrophobicContact CE1-CD2 3.74Å; F369-L374 HydrophobicContact CE1-CG 3.64Å; F369-L374 HydrophobicContact CZ-CD2 4.43Å; P370-L374 PolarHBondContact O-N 2.96Å; I371-L374 HydrophobicContact CD1-CD1 3.8Å; I371-L374 PolarHBondContact O-N 2.93Å; L374-V376 VanDerWaalsContact C-N 3.34Å; L374-V376 PolarHBondContact O-N 2.91Å; L374-M377 PolarHBondContact O-N 3.13Å; L374-L378 VanDerWaalsContact O-CB 3.28Å; L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 2.9Å |
| 375 | G | 96.3 | Very high | 95.3 | Very high | 0 Ų | 0 | 13.1 Ų | 13.1 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -56.3 | -46.3 | 173 | 0 | 0 | 0 | 0 | 0 | 112 | A153 I371 G372 I373 M377 L378 L379 | A153-G375 WeakPolarHBondContact CB-O 3.4Å; I371-G375 PolarHBondContact O-N 3.46Å; G372-G375 PolarHBondContact O-N 3.12Å; I373-G375 VanDerWaalsContact C-N 3.26Å; I373-G375 PolarHBondContact O-N 3.47Å; G375-M377 PolarHBondContact O-N 3.3Å; G375-L378 PolarHBondContact O-N 2.99Å; G375-L379 PolarHBondContact O-N 3.46Å |
| 376 | V | 97.5 | Very high | 95.5 | Very high | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -60.5 | -47.6 | 176.2 | 175.1 | 0 | 0 | 0 | 0 | 111.7 | I157 A186 L190 I193 G372 I373 L374 L378 L379 F380 | I157-V376 HydrophobicContact CD1-CG2 3.96Å; I157-V376 HydrophobicContact CG1-CG2 4.15Å; A186-V376 HydrophobicContact CB-CG2 4.37Å; A186-V376 VanDerWaalsContact O-CG2 3.29Å; A186-V376 WeakPolarHBondContact O-CG2 3.31Å; L190-V376 HydrophobicContact CB-CG1 4.02Å; L190-V376 HydrophobicContact CB-CG2 4.02Å; L190-V376 HydrophobicContact CD1-CG1 4.14Å; I193-V376 HydrophobicContact CD1-CG1 3.83Å; G372-V376 WeakPolarHBondContact O-CG2 3.21Å; G372-V376 PolarHBondContact O-N 2.99Å; G372-V376 VanDerWaalsContact O-N 3.08Å; I373-V376 WeakPolarHBondContact O-CB 3.12Å; I373-V376 PolarHBondContact O-N 2.82Å; I373-V376 VanDerWaalsContact O-N 3.13Å; L374-V376 VanDerWaalsContact C-N 3.34Å; L374-V376 PolarHBondContact O-N 2.91Å; V376-L378 VanDerWaalsContact C-N 3.32Å; V376-L378 PolarHBondContact O-N 2.92Å; V376-L379 VanDerWaalsContact O-CB 3.32Å; V376-L379 WeakPolarHBondContact O-CB 3.35Å; V376-L379 PolarHBondContact O-N 2.8Å; V376-F380 HydrophobicContact CG1-CD2 4.18Å; V376-F380 HydrophobicContact CG1-CE2 4.02Å; V376-F380 WeakPolarHBondContact O-CD2 3.5Å; V376-F380 PolarHBondContact O-N 2.99Å |
| 377 | M | 95.5 | Very high | 95.7 | Very high | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.092 | C | C | . | . | H | α-helix | trans | -63.3 | -39.7 | 179.3 | -63.5 | 177.2 | 69.8 | 0 | 0 | 112.2 | V40 A223 F227 I373 L374 G375 L379 F380 S381 | V40-M377 HydrophobicContact CB-CE 4.1Å; V40-M377 HydrophobicContact CG2-CE 4.01Å; V40-M377 WeakPolarHBondContact O-CE 3.32Å; A223-M377 HydrophobicContact CB-CE 4.43Å; F227-M377 HydrophobicContact CB-SD 4.4Å; F227-M377 HydrophobicContact CD2-SD 4.48Å; I373-M377 HydrophobicContact CG2-SD 4.35Å; I373-M377 PolarHBondContact O-N 2.96Å; I373-M377 VanDerWaalsContact O-N 3.08Å; L374-M377 PolarHBondContact O-N 3.13Å; G375-M377 PolarHBondContact O-N 3.3Å; M377-L379 VanDerWaalsContact C-N 3.32Å; M377-F380 PolarHBondContact O-N 3.4Å; M377-S381 PolarHBondContact O-N 3.17Å; M377-S381 VanDerWaalsContact O-N 3.14Å; M377-S381 PolarHBondContact O-OG 3.47Å |
| 378 | L | 96.6 | Very high | 95.8 | Very high | 5 Ų | 5 | 15.3 Ų | 15.3 | 3% | 0.026 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -65.1 | -36.1 | 175.6 | -177.6 | 61.9 | 0 | 0 | 0 | 111.8 | T45 F149 T152 A153 Y156 L374 G375 V376 S381 G382 | T45-L378 HydrophobicContact CG2-CD1 3.49Å; T45-L378 VanDerWaalsContact CG2-CD1 3.49Å; F149-L378 HydrophobicContact CB-CD1 3.89Å; F149-L378 HydrophobicContact CB-CG 4.25Å; F149-L378 HydrophobicContact CD1-CD1 4.06Å; F149-L378 HydrophobicContact CD2-CD1 3.94Å; F149-L378 HydrophobicContact CE1-CD1 4.42Å; F149-L378 HydrophobicContact CE2-CD1 4.33Å; F149-L378 HydrophobicContact CG-CD1 3.74Å; T152-L378 HydrophobicContact CG2-CD2 3.85Å; A153-L378 HydrophobicContact CB-CB 4.07Å; A153-L378 HydrophobicContact CB-CD2 4.31Å; A153-L378 HydrophobicContact CB-CG 4.11Å; Y156-L378 HydrophobicContact CD2-CD2 4.39Å; Y156-L378 HydrophobicContact CE2-CD2 4.24Å; L374-L378 VanDerWaalsContact O-CB 3.28Å; L374-L378 WeakPolarHBondContact O-CB 3.48Å; L374-L378 PolarHBondContact O-N 2.9Å; G375-L378 PolarHBondContact O-N 2.99Å; V376-L378 VanDerWaalsContact C-N 3.32Å; V376-L378 PolarHBondContact O-N 2.92Å; L378-S381 PolarHBondContact O-N 3.47Å; L378-G382 PolarHBondContact O-N 3.09Å |
| 379 | L | 97.7 | Very high | 95.9 | Very high | 32 Ų | 32 | 13.2 Ų | 13.2 | 17% | 0.168 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -58.9 | -52.8 | 176.8 | -175.2 | 59.8 | 0 | 0 | 0 | 110.5 | A150 A153 I157 L190 G375 V376 M377 S381 G382 I383 | A150-L379 HydrophobicContact CB-CD1 3.93Å; A153-L379 HydrophobicContact CB-CB 3.7Å; A153-L379 HydrophobicContact CB-CD1 4.2Å; I157-L379 HydrophobicContact CD1-CD2 4.39Å; L190-L379 HydrophobicContact CD1-CD2 4.09Å; G375-L379 PolarHBondContact O-N 3.46Å; V376-L379 VanDerWaalsContact O-CB 3.32Å; V376-L379 WeakPolarHBondContact O-CB 3.35Å; V376-L379 PolarHBondContact O-N 2.8Å; M377-L379 VanDerWaalsContact C-N 3.32Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 2.89Å; L379-G382 PolarHBondContact O-N 3.34Å; L379-I383 HydrophobicContact CD1-CG1 4.2Å; L379-I383 HydrophobicContact CG-CG1 4.45Å; L379-I383 WeakPolarHBondContact O-CG1 3.5Å; L379-I383 PolarHBondContact O-N 3.02Å |
| 380 | F | 96.1 | Very high | 95.9 | Very high | 23 Ų | 23 | 21.4 Ų | 21.4 | 10% | 0.101 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -60.9 | -42.4 | 178.9 | -82.8 | -80.2 | 0 | 0 | 0 | 112.6 | L190 I193 I194 R335 F336 V376 M377 G382 I383 E384 | L190-F380 HydrophobicContact CD1-CE2 3.61Å; L190-F380 HydrophobicContact CD1-CZ 4.03Å; I193-F380 HydrophobicContact CB-CE2 3.77Å; I193-F380 HydrophobicContact CB-CZ 3.91Å; I193-F380 HydrophobicContact CD1-CE2 4.33Å; I193-F380 HydrophobicContact CG2-CD1 4.3Å; I193-F380 HydrophobicContact CG2-CD2 3.89Å; I193-F380 HydrophobicContact CG2-CE1 3.83Å; I193-F380 HydrophobicContact CG2-CE2 3.37Å; I193-F380 HydrophobicContact CG2-CG 4.32Å; I193-F380 HydrophobicContact CG2-CZ 3.34Å; I194-F380 HydrophobicContact CG1-CE1 4.42Å; I194-F380 HydrophobicContact CG1-CZ 3.72Å; R335-F380 HydrophobicContact CG-CB 4.19Å; R335-F380 HydrophobicContact CG-CD1 4.42Å; F336-F380 HydrophobicContact CE1-CB 4.19Å; F336-F380 HydrophobicContact CE1-CG 4.28Å; F336-F380 HydrophobicContact CE2-CB 4.22Å; F336-F380 HydrophobicContact CZ-CB 3.54Å; F336-F380 HydrophobicContact CZ-CD2 4.23Å; F336-F380 HydrophobicContact CZ-CG 4.01Å; V376-F380 HydrophobicContact CG1-CD2 4.18Å; V376-F380 HydrophobicContact CG1-CE2 4.02Å; V376-F380 WeakPolarHBondContact O-CD2 3.5Å; V376-F380 PolarHBondContact O-N 2.99Å; M377-F380 PolarHBondContact O-N 3.4Å; F380-G382 VanDerWaalsContact C-N 3.3Å; F380-G382 PolarHBondContact O-N 3.09Å; F380-I383 PolarHBondContact O-N 3.21Å; F380-E384 VanDerWaalsContact O-CB 3.29Å; F380-E384 WeakPolarHBondContact O-CB 3.27Å; F380-E384 PolarHBondContact O-N 3.47Å |
| 381 | S | 95.7 | Very high | 95.8 | Very high | 0 Ų | 0 | 24.6 Ų | 24.6 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -61.5 | -40.3 | 176.2 | -55.6 | 0 | 0 | 0 | 0 | 112 | G41 G332 M377 L378 L379 L385 | G41-S381 PolarHBondContact O-OG 3.43Å; G332-S381 VanDerWaalsContact CA-OG 3.28Å; G332-S381 WeakPolarHBondContact CA-OG 3.46Å; M377-S381 PolarHBondContact O-N 3.17Å; M377-S381 VanDerWaalsContact O-N 3.14Å; M377-S381 PolarHBondContact O-OG 3.47Å; L378-S381 PolarHBondContact O-N 3.47Å; L379-S381 VanDerWaalsContact C-N 3.34Å; L379-S381 PolarHBondContact O-N 2.89Å; S381-L385 WeakPolarHBondContact O-CB 3.24Å; S381-L385 PolarHBondContact O-N 3.21Å |
| 382 | G | 97.3 | Very high | 95.8 | Very high | 0 Ų | 0 | 25.5 Ų | 25.5 | 0% | 0 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -67.8 | -45.5 | 177.2 | 0 | 0 | 0 | 0 | 0 | 113.1 | G146 L378 L379 F380 L385 A386 | G146-G382 CarbonylContact C-O 3.43Å; G146-G382 WeakPolarHBondContact CA-O 3.45Å; G146-G382 CarbonylContact O-C 3.2Å; G146-G382 VanDerWaalsContact O-CA 3.3Å; G146-G382 WeakPolarHBondContact O-CA 3.3Å; L378-G382 PolarHBondContact O-N 3.09Å; L379-G382 PolarHBondContact O-N 3.34Å; F380-G382 VanDerWaalsContact C-N 3.3Å; F380-G382 PolarHBondContact O-N 3.09Å; G382-L385 PolarHBondContact O-N 3.38Å; G382-A386 WeakPolarHBondContact O-CB 3.41Å; G382-A386 PolarHBondContact O-N 2.77Å |
| 383 | I | 96.8 | Very high | 95.6 | Very high | 73 Ų | 73 | 29 Ų | 29 | 37% | 0.374 | 16% | 0.16 | S | C | . | . | H | α-helix | trans | -67.5 | -43.4 | 178.9 | -63.8 | -59.1 | 0 | 0 | 0 | 111.3 | A150 L379 F380 L385 A386 M387 | A150-I383 HydrophobicContact CB-CD1 4.07Å; L379-I383 HydrophobicContact CD1-CG1 4.2Å; L379-I383 HydrophobicContact CG-CG1 4.45Å; L379-I383 WeakPolarHBondContact O-CG1 3.5Å; L379-I383 PolarHBondContact O-N 3.02Å; F380-I383 PolarHBondContact O-N 3.21Å; I383-L385 VanDerWaalsContact C-N 3.3Å; I383-L385 PolarHBondContact O-N 3.49Å; I383-A386 PolarHBondContact O-N 3.39Å; I383-A386 VanDerWaalsContact O-N 3.12Å; I383-M387 HydrophobicContact CG2-CG 4.27Å; I383-M387 HydrophobicContact CG2-SD 3.98Å; I383-M387 VanDerWaalsContact O-CG 3.3Å; I383-M387 WeakPolarHBondContact O-CG 3.36Å; I383-M387 PolarHBondContact O-N 3.08Å |
| 384 | E | 95.8 | Very high | 95.6 | Very high | 27 Ų | 27 | 31.2 Ų | 31.2 | 13% | 0.126 | 18% | 0.175 | C | C | . | . | H | α-helix | trans | -59.2 | -42.2 | 176.5 | -173.5 | 73.3 | -157.2 | 0 | 0 | 111.3 | A331 R335 F380 M387 A388 | A331-E384 HydrophobicContact CB-CB 4.01Å; A331-E384 HydrophobicContact CB-CG 3.93Å; R335-E384 HydrophobicContact CB-CB 4.2Å; R335-E384 HydrophobicContact CB-CG 4.03Å; R335-E384 WeakPolarHBondContact CD-OE2 3.34Å; R335-E384 IonicContact NH1-OE2 3.49Å; R335-E384 PolarHBondContact NH1-OE2 3.45Å; F380-E384 VanDerWaalsContact O-CB 3.29Å; F380-E384 WeakPolarHBondContact O-CB 3.27Å; F380-E384 PolarHBondContact O-N 3.47Å; E384-M387 PolarHBondContact O-N 3.29Å; E384-A388 PolarHBondContact O-N 3.19Å |
| 385 | L | 96.8 | Very high | 95.6 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -64.4 | -42 | 174.7 | 179.2 | 63.3 | 0 | 0 | 0 | 112.1 | Q142 Q145 L288 A327 A331 S381 G382 I383 M387 A388 | Q142-L385 HydrophobicContact CB-CD1 4.05Å; Q142-L385 HydrophobicContact CB-CG 4.39Å; Q142-L385 HydrophobicContact CG-CD1 4.05Å; Q142-L385 WeakPolarHBondContact O-CG 3.25Å; Q145-L385 HydrophobicContact CB-CD2 3.83Å; Q145-L385 HydrophobicContact CG-CD2 3.75Å; L288-L385 HydrophobicContact CD2-CD1 3.84Å; A327-L385 HydrophobicContact CB-CD1 3.68Å; A327-L385 HydrophobicContact CB-CD2 4.45Å; A331-L385 HydrophobicContact CB-CB 3.85Å; S381-L385 WeakPolarHBondContact O-CB 3.24Å; S381-L385 PolarHBondContact O-N 3.21Å; G382-L385 PolarHBondContact O-N 3.38Å; I383-L385 VanDerWaalsContact C-N 3.3Å; I383-L385 PolarHBondContact O-N 3.49Å; L385-M387 VanDerWaalsContact C-N 3.32Å; L385-A388 VanDerWaalsContact O-CB 3.3Å; L385-A388 WeakPolarHBondContact O-CB 3.34Å; L385-A388 PolarHBondContact O-N 3.47Å |
| 386 | A | 97.6 | Very high | 95.5 | Very high | 13 Ų | 13 | 43.4 Ų | 43.4 | 11% | 0.107 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -65 | -37.1 | 177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | L143 G382 I383 A388 S389 | L143-A386 HydrophobicContact CD1-CB 3.9Å; G382-A386 WeakPolarHBondContact O-CB 3.41Å; G382-A386 PolarHBondContact O-N 2.77Å; I383-A386 PolarHBondContact O-N 3.39Å; I383-A386 VanDerWaalsContact O-N 3.12Å; A386-A388 PolarHBondContact O-N 2.94Å; A386-S389 WeakPolarHBondContact O-CB 3.27Å; A386-S389 PolarHBondContact O-N 2.9Å; A386-S389 VanDerWaalsContact O-N 3.08Å; A386-S389 PolarHBondContact O-OG 3.46Å |
| 387 | M | 95.6 | Very high | 95.4 | Very high | 63 Ų | 63 | 46.5 Ų | 46.5 | 31% | 0.31 | 24% | 0.244 | S | C | . | . | H | α-helix | trans | -62.5 | -23.9 | 177.2 | -74.9 | 174 | 60.5 | 0 | 0 | 113.2 | I383 E384 L385 S389 R390 | I383-M387 HydrophobicContact CG2-CG 4.27Å; I383-M387 HydrophobicContact CG2-SD 3.98Å; I383-M387 VanDerWaalsContact O-CG 3.3Å; I383-M387 WeakPolarHBondContact O-CG 3.36Å; I383-M387 PolarHBondContact O-N 3.08Å; E384-M387 PolarHBondContact O-N 3.29Å; L385-M387 VanDerWaalsContact C-N 3.32Å; M387-S389 PolarHBondContact O-N 2.92Å; M387-S389 VanDerWaalsContact O-N 3.09Å; M387-R390 WeakPolarHBondContact O-CB 3.46Å; M387-R390 WeakPolarHBondContact O-CD 3.33Å; M387-R390 WeakPolarHBondContact O-CG 3.46Å; M387-R390 PolarHBondContact O-N 3.5Å; M387-R390 VanDerWaalsContact O-N 3.15Å |
| 388 | A | 94 | Very high | 95.5 | Very high | 17 Ų | 17 | 48.2 Ų | 48.2 | 14% | 0.14 | 26% | 0.256 | C | S | . | . | G | 310 helix | trans | -60.7 | -18.1 | 174.5 | 0 | 0 | 0 | 0 | 0 | 113 | R139 L288 E384 L385 A386 R390 | R139-A388 WeakPolarHBondContact CD-O 3.33Å; R139-A388 PolarHBondContact NE-O 3.27Å; R139-A388 VanDerWaalsContact NE-O 3.08Å; R139-A388 PolarHBondContact NH1-O 2.92Å; R139-A388 VanDerWaalsContact NH1-O 3.17Å; L288-A388 HydrophobicContact CD1-CB 3.6Å; E384-A388 PolarHBondContact O-N 3.19Å; L385-A388 VanDerWaalsContact O-CB 3.3Å; L385-A388 WeakPolarHBondContact O-CB 3.34Å; L385-A388 PolarHBondContact O-N 3.47Å; A386-A388 PolarHBondContact O-N 2.94Å; A388-R390 VanDerWaalsContact C-N 3.31Å; A388-R390 PolarHBondContact O-N 3.37Å |
| 389 | S | 95.3 | Very high | 95.6 | Very high | 13 Ų | 13 | 53.1 Ų | 53.1 | 9% | 0.091 | 28% | 0.277 | C | S | . | . | G | 310 helix | trans | -86.9 | 8.2 | 178.8 | 85.6 | 0 | 0 | 0 | 0 | 114.4 | A386 M387 D391 M401 | A386-S389 WeakPolarHBondContact O-CB 3.27Å; A386-S389 PolarHBondContact O-N 2.9Å; A386-S389 VanDerWaalsContact O-N 3.08Å; A386-S389 PolarHBondContact O-OG 3.46Å; M387-S389 PolarHBondContact O-N 2.92Å; M387-S389 VanDerWaalsContact O-N 3.09Å; S389-D391 PolarHBondContact O-N 3.43Å; S389-M401 VanDerWaalsContact CB-SD 3.57Å |
| 390 | R | 94 | Very high | 95.6 | Very high | 174 Ų | 174 | 51.7 Ų | 51.7 | 66% | 0.657 | 27% | 0.27 | S | S | * | . | G | 310 helix | trans | -73.7 | -9.1 | -176.6 | 72.5 | -174.1 | 176.9 | 176.6 | -4 | 114.7 | D201 M387 A388 M392 | D201-R390 IonicContact OD2-NH1 3.72Å; M387-R390 WeakPolarHBondContact O-CB 3.46Å; M387-R390 WeakPolarHBondContact O-CD 3.33Å; M387-R390 WeakPolarHBondContact O-CG 3.46Å; M387-R390 PolarHBondContact O-N 3.5Å; M387-R390 VanDerWaalsContact O-N 3.15Å; A388-R390 VanDerWaalsContact C-N 3.31Å; A388-R390 PolarHBondContact O-N 3.37Å; R390-M392 PolarHBondContact O-N 3.41Å |
| 391 | D | 93 | Very high | 95.6 | Very high | 67 Ų | 67 | 51.2 Ų | 51.2 | 36% | 0.358 | 27% | 0.268 | S | S | . | . | G | 310 helix | trans | -92.6 | 20.3 | -169.5 | 68.8 | -30.5 | 0 | 0 | 0 | 114.5 | R139 S389 G393 | R139-D391 IonicContact CZ-OD1 3.49Å; R139-D391 IonicContact CZ-OD2 3.4Å; R139-D391 IonicContact NE-OD1 2.82Å; R139-D391 PolarHBondContact NE-OD1 2.97Å; R139-D391 IonicContact NE-OD2 3.32Å; R139-D391 PolarHBondContact NE-OD2 2.98Å; R139-D391 IonicContact NH2-OD1 3.54Å; R139-D391 IonicContact NH2-OD2 2.69Å; R139-D391 PolarHBondContact NH2-OD2 2.91Å; S389-D391 PolarHBondContact O-N 3.43Å; D391-G393 PolarHBondContact O-N 2.87Å |
| 392 | M | 94.4 | Very high | 95.7 | Very high | 28 Ų | 28 | 56.1 Ų | 56.1 | 14% | 0.138 | 29% | 0.294 | C | S | . | . | trans | -72 | 120.6 | 176.3 | -61.4 | -64 | 81.8 | 0 | 0 | 111.1 | L135 P136 R139 R390 E397 S398 M401 | L135-M392 HydrophobicContact CD2-CE 4.06Å; L135-M392 HydrophobicContact CG-CE 4.04Å; P136-M392 HydrophobicContact CB-SD 4.13Å; P136-M392 HydrophobicContact CG-SD 4.2Å; R139-M392 HydrophobicContact CB-CE 4.24Å; R139-M392 HydrophobicContact CB-SD 4.37Å; R139-M392 HydrophobicContact CG-CE 3.52Å; R139-M392 HydrophobicContact CG-SD 4.29Å; R390-M392 PolarHBondContact O-N 3.41Å; M392-E397 HydrophobicContact CB-CB 4.32Å; M392-E397 HydrophobicContact SD-CB 3.95Å; M392-S398 WeakPolarHBondContact CB-OG 3.49Å; M392-M401 HydrophobicContact CG-CB 4.48Å; M392-M401 HydrophobicContact CG-CE 3.96Å; M392-M401 HydrophobicContact CG-SD 3.49Å; M392-M401 WeakPolarHBondContact CG-SD 3.31Å; M392-M401 HydrophobicContact SD-CB 4.15Å; M392-M401 HydrophobicContact SD-CG 4.48Å; M392-M401 HydrophobicContact SD-SD 3.93Å | ||
| 393 | G | 90.9 | Very high | 95.6 | Very high | 74 Ų | 74 | 58.2 Ų | 58.2 | 76% | 0.763 | 31% | 0.306 | S | S | * | . | trans | -85.8 | -16.4 | -173.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | D391 E397 | D391-G393 PolarHBondContact O-N 2.87Å; G393-E397 WeakPolarHBondContact CA-OE2 3.32Å; G393-E397 PolarHBondContact N-OE2 3.09Å | ||
| 394 | S | 95.1 | Very high | 95.5 | Very high | 46 Ų | 46 | 54.7 Ų | 54.7 | 32% | 0.322 | 29% | 0.288 | S | S | . | . | S | Bend | trans | -137.3 | 162.8 | 178.8 | 76.5 | 0 | 0 | 0 | 0 | 113.8 | Q396 E397 S398 | S394-Q396 PolarHBondContact O-N 3.13Å; S394-Q396 PolarHBondContact OG-N 2.74Å; S394-E397 PolarHBondContact N-OE2 3.25Å; S394-E397 PolarHBondContact O-N 3.44Å; S394-E397 WeakPolarHBondContact OG-CG 3.21Å; S394-E397 PolarHBondContact OG-N 3.33Å; S394-E397 VanDerWaalsContact OG-N 3.1Å; S394-S398 WeakPolarHBondContact O-CB 3.44Å; S394-S398 PolarHBondContact O-N 2.55Å; S394-S398 PolarHBondContact O-OG 3.14Å; S394-S398 VanDerWaalsContact O-OG 3.08Å |
| 395 | K | 94.8 | Very high | 95.5 | Very high | 190 Ų | 190 | 53.6 Ų | 53.6 | 83% | 0.826 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -61.6 | -34.5 | 172 | -173.9 | 175.3 | 179.9 | 178.7 | 0 | 111.7 | F399 | K395-F399 VanDerWaalsContact O-CB 3.27Å; K395-F399 WeakPolarHBondContact O-CB 3.38Å; K395-F399 PolarHBondContact O-N 3.16Å |
| 396 | Q | 94.9 | Very high | 95.5 | Very high | 67 Ų | 67 | 55.2 Ų | 55.2 | 31% | 0.313 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -68 | -44.2 | 179.8 | -169.3 | -176.9 | 29.5 | 0 | 0 | 111.4 | S394 F399 V400 L428 D432 | S394-Q396 PolarHBondContact O-N 3.13Å; S394-Q396 PolarHBondContact OG-N 2.74Å; Q396-F399 WeakPolarHBondContact O-CB 3.29Å; Q396-F399 PolarHBondContact O-N 3.32Å; Q396-V400 WeakPolarHBondContact O-CG2 3.15Å; Q396-V400 PolarHBondContact O-N 3.1Å; Q396-L428 HydrophobicContact CG-CB 4.32Å; Q396-L428 HydrophobicContact CG-CD1 3.82Å; Q396-L428 HydrophobicContact CG-CD2 4.42Å; Q396-L428 HydrophobicContact CG-CG 4.41Å; Q396-D432 PolarHBondContact NE2-OD2 3.44Å; Q396-D432 PolarHBondContact OE1-OD2 3.3Å |
| 397 | E | 96.1 | Very high | 95.2 | Very high | 65 Ų | 65 | 56.8 Ų | 56.8 | 30% | 0.304 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -62.7 | -48.5 | 173.7 | -71.6 | -178.7 | 151.6 | 0 | 0 | 111.4 | P136 M392 G393 S394 F399 V400 M401 | P136-E397 HydrophobicContact CB-CB 4.41Å; P136-E397 HydrophobicContact CG-CB 3.72Å; P136-E397 HydrophobicContact CG-CG 3.67Å; M392-E397 HydrophobicContact CB-CB 4.32Å; M392-E397 HydrophobicContact SD-CB 3.95Å; G393-E397 WeakPolarHBondContact CA-OE2 3.32Å; G393-E397 PolarHBondContact N-OE2 3.09Å; S394-E397 PolarHBondContact N-OE2 3.25Å; S394-E397 PolarHBondContact O-N 3.44Å; S394-E397 WeakPolarHBondContact OG-CG 3.21Å; S394-E397 PolarHBondContact OG-N 3.33Å; S394-E397 VanDerWaalsContact OG-N 3.1Å; E397-F399 PolarHBondContact O-N 3.04Å; E397-V400 PolarHBondContact O-N 2.78Å; E397-M401 WeakPolarHBondContact O-CB 3.43Å; E397-M401 PolarHBondContact O-N 3.39Å |
| 398 | S | 97.8 | Very high | 95 | Very high | 36 Ų | 36 | 54.2 Ų | 54.2 | 25% | 0.252 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -56.1 | -39.3 | 174.6 | -64.4 | 0 | 0 | 0 | 0 | 112 | M392 S394 M401 L402 | M392-S398 WeakPolarHBondContact CB-OG 3.49Å; S394-S398 WeakPolarHBondContact O-CB 3.44Å; S394-S398 PolarHBondContact O-N 2.55Å; S394-S398 PolarHBondContact O-OG 3.14Å; S394-S398 VanDerWaalsContact O-OG 3.08Å; S398-M401 PolarHBondContact O-N 2.93Å; S398-L402 WeakPolarHBondContact O-CB 3.47Å; S398-L402 WeakPolarHBondContact O-CG 3.49Å; S398-L402 PolarHBondContact O-N 3.19Å |
| 399 | F | 97.4 | Very high | 94.8 | Very high | 108 Ų | 108 | 55.9 Ų | 55.9 | 47% | 0.474 | 30% | 0.303 | S | S | . | . | H | α-helix | trans | -64.5 | -48.1 | 178.1 | -179.6 | -127.2 | 0 | 0 | 0 | 112.1 | K395 Q396 E397 M401 L402 V403 L424 L428 | K395-F399 VanDerWaalsContact O-CB 3.27Å; K395-F399 WeakPolarHBondContact O-CB 3.38Å; K395-F399 PolarHBondContact O-N 3.16Å; Q396-F399 WeakPolarHBondContact O-CB 3.29Å; Q396-F399 PolarHBondContact O-N 3.32Å; E397-F399 PolarHBondContact O-N 3.04Å; F399-M401 VanDerWaalsContact C-N 3.35Å; F399-M401 PolarHBondContact O-N 2.73Å; F399-L402 PolarHBondContact O-N 2.69Å; F399-V403 HydrophobicContact CD2-CG2 4.02Å; F399-V403 HydrophobicContact CE2-CG2 3.71Å; F399-V403 HydrophobicContact CZ-CG2 4.15Å; F399-V403 WeakPolarHBondContact O-CB 3.3Å; F399-V403 WeakPolarHBondContact O-CG2 3.33Å; F399-V403 PolarHBondContact O-N 3.32Å; F399-L424 HydrophobicContact CD1-CD2 4.02Å; F399-L424 HydrophobicContact CE1-CD1 3.89Å; F399-L424 HydrophobicContact CE1-CD2 3.81Å; F399-L424 HydrophobicContact CE1-CG 4.34Å; F399-L424 HydrophobicContact CZ-CD2 4.26Å; F399-L428 HydrophobicContact CD1-CD1 4.05Å |
| 400 | V | 97.8 | Very high | 94.1 | Very high | 2 Ų | 2 | 59.7 Ų | 59.7 | 1% | 0.012 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -59.3 | -47.3 | 175.4 | 173.8 | 0 | 0 | 0 | 0 | 111 | P136 V137 Q396 E397 L402 V403 C404 L424 L428 | P136-V400 HydrophobicContact CB-CB 3.88Å; P136-V400 HydrophobicContact CB-CG1 3.81Å; V137-V400 HydrophobicContact CG2-CG1 3.85Å; Q396-V400 WeakPolarHBondContact O-CG2 3.15Å; Q396-V400 PolarHBondContact O-N 3.1Å; E397-V400 PolarHBondContact O-N 2.78Å; V400-L402 PolarHBondContact O-N 2.7Å; V400-V403 PolarHBondContact O-N 2.72Å; V400-C404 VanDerWaalsContact O-CB 3.25Å; V400-C404 WeakPolarHBondContact O-CB 3.24Å; V400-C404 PolarHBondContact O-N 2.62Å; V400-L424 HydrophobicContact CG2-CD2 4.33Å; V400-L424 HydrophobicContact CG2-CG 4.17Å; V400-L428 HydrophobicContact CG2-CD1 3.61Å |
| 401 | M | 97.4 | Very high | 92.7 | Very high | 13 Ų | 13 | 55 Ų | 55 | 6% | 0.064 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -58.5 | -49.2 | 179.6 | 179 | -167.4 | 70.5 | 0 | 0 | 111.7 | P136 R139 G140 L143 S389 M392 E397 S398 F399 C404 A405 | P136-M401 HydrophobicContact CB-CB 4.37Å; P136-M401 WeakPolarHBondContact O-CA 3.48Å; P136-M401 WeakPolarHBondContact O-CB 3.24Å; R139-M401 HydrophobicContact CB-CG 3.87Å; R139-M401 HydrophobicContact CB-SD 3.82Å; G140-M401 WeakPolarHBondContact CA-O 3.49Å; L143-M401 HydrophobicContact CD2-CE 4.16Å; L143-M401 HydrophobicContact CD2-CG 4.48Å; L143-M401 HydrophobicContact CD2-SD 4.47Å; S389-M401 VanDerWaalsContact CB-SD 3.57Å; M392-M401 HydrophobicContact CG-CB 4.48Å; M392-M401 HydrophobicContact CG-CE 3.96Å; M392-M401 HydrophobicContact CG-SD 3.49Å; M392-M401 WeakPolarHBondContact CG-SD 3.31Å; M392-M401 HydrophobicContact SD-CB 4.15Å; M392-M401 HydrophobicContact SD-CG 4.48Å; M392-M401 HydrophobicContact SD-SD 3.93Å; E397-M401 WeakPolarHBondContact O-CB 3.43Å; E397-M401 PolarHBondContact O-N 3.39Å; S398-M401 PolarHBondContact O-N 2.93Å; F399-M401 VanDerWaalsContact C-N 3.35Å; F399-M401 PolarHBondContact O-N 2.73Å; M401-C404 PolarHBondContact O-N 3.02Å; M401-A405 WeakPolarHBondContact O-CB 3.44Å; M401-A405 PolarHBondContact O-N 3.08Å |
| 402 | L | 96.9 | Very high | 91.2 | Very high | 102 Ų | 102 | 57.5 Ų | 57.5 | 53% | 0.534 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -69.4 | -37.3 | -177.6 | -71 | 172.1 | 0 | 0 | 0 | 112.5 | L143 S398 F399 V400 A405 G406 | L143-L402 HydrophobicContact CD2-CD2 3.96Å; S398-L402 WeakPolarHBondContact O-CB 3.47Å; S398-L402 WeakPolarHBondContact O-CG 3.49Å; S398-L402 PolarHBondContact O-N 3.19Å; F399-L402 PolarHBondContact O-N 2.69Å; V400-L402 PolarHBondContact O-N 2.7Å; L402-A405 PolarHBondContact O-N 3.48Å; L402-G406 PolarHBondContact O-N 2.76Å |
| 403 | V | 95.7 | Very high | 90.4 | Very high | 44 Ų | 44 | 57.9 Ų | 57.9 | 27% | 0.267 | 36% | 0.36 | S | S | . | . | H | α-helix | trans | -65 | -48 | 173.5 | 170.6 | 0 | 0 | 0 | 0 | 110.4 | F399 V400 A405 G406 V407 L424 | F399-V403 HydrophobicContact CD2-CG2 4.02Å; F399-V403 HydrophobicContact CE2-CG2 3.71Å; F399-V403 HydrophobicContact CZ-CG2 4.15Å; F399-V403 WeakPolarHBondContact O-CB 3.3Å; F399-V403 WeakPolarHBondContact O-CG2 3.33Å; F399-V403 PolarHBondContact O-N 3.32Å; V400-V403 PolarHBondContact O-N 2.72Å; V403-A405 VanDerWaalsContact C-N 3.3Å; V403-A405 PolarHBondContact O-N 3.4Å; V403-G406 PolarHBondContact O-N 2.82Å; V403-V407 HydrophobicContact CG1-CG2 4.29Å; V403-V407 WeakPolarHBondContact O-CB 3.47Å; V403-V407 WeakPolarHBondContact O-CG2 3.49Å; V403-V407 PolarHBondContact O-N 3.15Å; V403-L424 HydrophobicContact CB-CD2 3.76Å; V403-L424 HydrophobicContact CG1-CD2 3.89Å; V403-L424 HydrophobicContact CG2-CD2 3.78Å |
| 404 | C | 95 | Very high | 89.6 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -56 | -46 | 175.8 | -179.8 | 0 | 0 | 0 | 0 | 111.2 | V400 M401 S408 G417 | V400-C404 VanDerWaalsContact O-CB 3.25Å; V400-C404 WeakPolarHBondContact O-CB 3.24Å; V400-C404 PolarHBondContact O-N 2.62Å; M401-C404 PolarHBondContact O-N 3.02Å; C404-S408 VanDerWaalsContact O-CB 3.28Å; C404-S408 WeakPolarHBondContact O-CB 3.39Å; C404-S408 PolarHBondContact O-N 3.17Å; C404-S408 PolarHBondContact O-OG 3.31Å; C404-G417 PolarHBondContact SG-O 3.27Å; C404-G417 VanDerWaalsContact SG-O 3.41Å |
| 405 | A | 95.7 | Very high | 89.1 | Confident | 4 Ų | 4 | 54.5 Ų | 54.5 | 3% | 0.033 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -66.2 | -46.5 | 179.3 | 0 | 0 | 0 | 0 | 0 | 112.2 | G140 L143 M401 L402 V403 S408 L409 | G140-A405 WeakPolarHBondContact O-CB 3.21Å; L143-A405 HydrophobicContact CB-CB 4.18Å; L143-A405 HydrophobicContact CD2-CB 3.86Å; L143-A405 HydrophobicContact CG-CB 4.04Å; M401-A405 WeakPolarHBondContact O-CB 3.44Å; M401-A405 PolarHBondContact O-N 3.08Å; L402-A405 PolarHBondContact O-N 3.48Å; V403-A405 VanDerWaalsContact C-N 3.3Å; V403-A405 PolarHBondContact O-N 3.4Å; A405-S408 PolarHBondContact O-N 3.38Å; A405-L409 VanDerWaalsContact O-CG 3.28Å; A405-L409 WeakPolarHBondContact O-CG 3.47Å; A405-L409 PolarHBondContact O-N 3.5Å |
| 406 | G | 95.2 | Very high | 88.7 | Confident | 34 Ų | 34 | 50.3 Ų | 50.3 | 35% | 0.351 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -60.4 | -47.8 | 179.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | L402 V403 L409 T410 | L402-G406 PolarHBondContact O-N 2.76Å; V403-G406 PolarHBondContact O-N 2.82Å; G406-L409 PolarHBondContact O-N 3.43Å; G406-T410 PolarHBondContact O-N 2.91Å; G406-T410 VanDerWaalsContact O-N 3.15Å; G406-T410 PolarHBondContact O-OG1 2.99Å |
| 407 | V | 93.2 | Very high | 88.4 | Confident | 46 Ų | 46 | 47.1 Ų | 47.1 | 28% | 0.279 | 30% | 0.299 | S | S | . | . | H | α-helix | trans | -68.2 | -35.4 | 177.2 | 178 | 0 | 0 | 0 | 0 | 111.6 | V403 L409 T410 L416 | V403-V407 HydrophobicContact CG1-CG2 4.29Å; V403-V407 WeakPolarHBondContact O-CB 3.47Å; V403-V407 WeakPolarHBondContact O-CG2 3.49Å; V403-V407 PolarHBondContact O-N 3.15Å; V407-L409 VanDerWaalsContact C-N 3.26Å; V407-L409 PolarHBondContact O-N 2.95Å; V407-T410 WeakPolarHBondContact CA-OG1 3.18Å; V407-T410 PolarHBondContact O-N 3.21Å; V407-T410 PolarHBondContact O-OG1 3.38Å; V407-L416 HydrophobicContact CG1-CB 4.14Å |
| 408 | S | 90.7 | Very high | 87.9 | Confident | 8 Ų | 8 | 45.9 Ų | 45.9 | 6% | 0.056 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -65.4 | -31.8 | 175.7 | -61.4 | 0 | 0 | 0 | 0 | 112.4 | S144 C404 A405 G417 | S144-S408 WeakPolarHBondContact OG-CB 3.39Å; C404-S408 VanDerWaalsContact O-CB 3.28Å; C404-S408 WeakPolarHBondContact O-CB 3.39Å; C404-S408 PolarHBondContact O-N 3.17Å; C404-S408 PolarHBondContact O-OG 3.31Å; A405-S408 PolarHBondContact O-N 3.38Å; S408-G417 WeakPolarHBondContact OG-CA 3.45Å |
| 409 | L | 90.1 | Very high | 87.6 | Confident | 52 Ų | 52 | 48.7 Ų | 48.7 | 27% | 0.272 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -78.3 | -26.8 | 178.6 | -73.7 | 169.1 | 0 | 0 | 0 | 112.6 | S144 L147 S148 F151 A405 G406 V407 | S144-L409 WeakPolarHBondContact O-CD2 3.46Å; L147-L409 HydrophobicContact CB-CD1 4.24Å; L147-L409 HydrophobicContact CB-CD2 4.39Å; L147-L409 HydrophobicContact CD1-CD1 3.94Å; S148-L409 VanDerWaalsContact OG-CD2 3.25Å; S148-L409 WeakPolarHBondContact OG-CD2 3.43Å; F151-L409 HydrophobicContact CE2-CD1 4.42Å; F151-L409 HydrophobicContact CE2-CD2 4.21Å; A405-L409 VanDerWaalsContact O-CG 3.28Å; A405-L409 WeakPolarHBondContact O-CG 3.47Å; A405-L409 PolarHBondContact O-N 3.5Å; G406-L409 PolarHBondContact O-N 3.43Å; V407-L409 VanDerWaalsContact C-N 3.26Å; V407-L409 PolarHBondContact O-N 2.95Å |
| 410 | T | 80.6 | Confident | 87.3 | Confident | 94 Ų | 94 | 45.1 Ų | 45.1 | 58% | 0.577 | 29% | 0.292 | S | S | * | . | S | Bend | trans | -89.8 | 129.4 | 178.1 | 54.6 | 0 | 0 | 0 | 0 | 111 | G406 V407 S412 | G406-T410 PolarHBondContact O-N 2.91Å; G406-T410 VanDerWaalsContact O-N 3.15Å; G406-T410 PolarHBondContact O-OG1 2.99Å; V407-T410 WeakPolarHBondContact CA-OG1 3.18Å; V407-T410 PolarHBondContact O-N 3.21Å; V407-T410 PolarHBondContact O-OG1 3.38Å; T410-S412 PolarHBondContact O-N 3.47Å |
| 411 | G | 64.8 | Low | 87.1 | Confident | 76 Ų | 76 | 45 Ų | 45 | 78% | 0.784 | 29% | 0.291 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 69.9 | 12.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | S413 | G411-S413 PolarHBondContact O-N 3.47Å; G411-S413 VanDerWaalsContact O-N 3.07Å |
| 412 | S | 61.8 | Low | 87 | Confident | 119 Ų | 119 | 46.5 Ų | 46.5 | 83% | 0.832 | 30% | 0.299 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55.4 | 26.3 | 172.9 | -60.7 | 0 | 0 | 0 | 0 | 115.5 | T410 | T410-S412 PolarHBondContact O-N 3.47Š|
| 413 | S | 75.8 | Confident | 86.9 | Confident | 35 Ų | 35 | 45.1 Ų | 45.1 | 25% | 0.245 | 30% | 0.295 | C | S | . | . | trans | -111.9 | 93.3 | 178.1 | -175.8 | 0 | 0 | 0 | 0 | 111.2 | G411 A415 L416 G417 | G411-S413 PolarHBondContact O-N 3.47Å; G411-S413 VanDerWaalsContact O-N 3.07Å; S413-A415 PolarHBondContact O-N 3.22Å; S413-A415 VanDerWaalsContact O-N 3.13Å; S413-L416 PolarHBondContact O-N 3.15Å; S413-L416 WeakPolarHBondContact OG-CG 3.33Å; S413-L416 PolarHBondContact OG-N 3.05Å; S413-G417 PolarHBondContact O-N 2.92Å | ||
| 414 | A | 75.8 | Confident | 86.9 | Confident | 24 Ų | 24 | 44.5 Ų | 44.5 | 20% | 0.198 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -54.5 | -29 | 169.5 | 0 | 0 | 0 | 0 | 0 | 112 | L276 F418 | L276-A414 HydrophobicContact CD1-CB 3.91Å; A414-F418 VanDerWaalsContact O-CB 3.27Å; A414-F418 WeakPolarHBondContact O-CB 3.27Å; A414-F418 PolarHBondContact O-N 3.27Å |
| 415 | A | 82.8 | Confident | 86.9 | Confident | 25 Ų | 25 | 47.4 Ų | 47.4 | 21% | 0.207 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -65.8 | -45.1 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | P275 S413 F418 I419 | P275-A415 HydrophobicContact CB-CB 3.84Å; P275-A415 HydrophobicContact CG-CB 3.83Å; S413-A415 PolarHBondContact O-N 3.22Å; S413-A415 VanDerWaalsContact O-N 3.13Å; A415-F418 PolarHBondContact O-N 3.34Å; A415-I419 VanDerWaalsContact O-CG1 3.26Å; A415-I419 WeakPolarHBondContact O-CG1 3.49Å; A415-I419 PolarHBondContact O-N 3.37Å |
| 416 | L | 86.8 | Confident | 86.9 | Confident | 103 Ų | 103 | 51.7 Ų | 51.7 | 54% | 0.539 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64 | -44.7 | 178.6 | -72.9 | 178.7 | 0 | 0 | 0 | 111.5 | V407 S413 F418 I419 S420 | V407-L416 HydrophobicContact CG1-CB 4.14Å; S413-L416 PolarHBondContact O-N 3.15Å; S413-L416 WeakPolarHBondContact OG-CG 3.33Å; S413-L416 PolarHBondContact OG-N 3.05Å; L416-F418 VanDerWaalsContact C-N 3.33Å; L416-F418 PolarHBondContact O-N 2.87Å; L416-I419 PolarHBondContact O-N 3.39Å; L416-S420 WeakPolarHBondContact O-CB 3.1Å; L416-S420 PolarHBondContact O-N 2.91Å; L416-S420 PolarHBondContact O-OG 3.07Å |
| 417 | G | 88.2 | Confident | 86.9 | Confident | 0 Ų | 0 | 55 Ų | 55 | 0% | 0 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -63.8 | -41.5 | 178.6 | 0 | 0 | 0 | 0 | 0 | 112.4 | C404 S408 S413 S420 G421 | C404-G417 PolarHBondContact SG-O 3.27Å; C404-G417 VanDerWaalsContact SG-O 3.41Å; S408-G417 WeakPolarHBondContact OG-CA 3.45Å; S413-G417 PolarHBondContact O-N 2.92Å; G417-S420 WeakPolarHBondContact CA-OG 3.4Å; G417-S420 PolarHBondContact O-N 3.44Å; G417-S420 PolarHBondContact O-OG 3.26Å; G417-G421 PolarHBondContact O-N 3.38Å |
| 418 | F | 87.3 | Confident | 87 | Confident | 38 Ų | 38 | 54 Ų | 54 | 17% | 0.167 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -58.8 | -50.2 | 172.3 | 173 | -104.9 | 0 | 0 | 0 | 113.5 | L133 V137 L279 A414 A415 L416 S420 G421 I422 | L133-F418 HydrophobicContact CD1-CE2 4.03Å; L133-F418 HydrophobicContact CD1-CZ 4.33Å; L133-F418 HydrophobicContact CD2-CE2 3.6Å; L133-F418 HydrophobicContact CD2-CZ 3.5Å; L133-F418 HydrophobicContact CG-CE2 4.43Å; V137-F418 HydrophobicContact CG1-CD2 3.37Å; V137-F418 HydrophobicContact CG1-CE2 3.67Å; V137-F418 HydrophobicContact CG1-CG 4.44Å; L279-F418 HydrophobicContact CD1-CB 3.58Å; L279-F418 HydrophobicContact CD1-CD1 3.95Å; L279-F418 HydrophobicContact CD1-CD2 3.53Å; L279-F418 HydrophobicContact CD1-CE1 4.49Å; L279-F418 HydrophobicContact CD1-CE2 4.13Å; L279-F418 HydrophobicContact CD1-CG 3.4Å; L279-F418 VanDerWaalsContact CD1-CG 3.4Å; L279-F418 HydrophobicContact CD2-CD2 3.5Å; L279-F418 HydrophobicContact CD2-CE1 4.33Å; L279-F418 HydrophobicContact CD2-CE2 3.25Å; L279-F418 HydrophobicContact CD2-CG 4.14Å; L279-F418 HydrophobicContact CD2-CZ 3.68Å; L279-F418 HydrophobicContact CG-CD2 4.16Å; L279-F418 HydrophobicContact CG-CE2 4.32Å; L279-F418 HydrophobicContact CG-CG 4.4Å; A414-F418 VanDerWaalsContact O-CB 3.27Å; A414-F418 WeakPolarHBondContact O-CB 3.27Å; A414-F418 PolarHBondContact O-N 3.27Å; A415-F418 PolarHBondContact O-N 3.34Å; L416-F418 VanDerWaalsContact C-N 3.33Å; L416-F418 PolarHBondContact O-N 2.87Å; F418-S420 PolarHBondContact O-N 3.16Å; F418-G421 PolarHBondContact O-N 3Å; F418-I422 HydrophobicContact CD1-CD1 4.29Å; F418-I422 HydrophobicContact CD2-CD1 4.36Å; F418-I422 HydrophobicContact CE1-CD1 3.56Å; F418-I422 HydrophobicContact CE2-CD1 3.63Å; F418-I422 HydrophobicContact CE2-CG1 4.19Å; F418-I422 HydrophobicContact CZ-CD1 3.19Å; F418-I422 HydrophobicContact CZ-CG1 4.2Å; F418-I422 PolarHBondContact O-N 3.37Å |
| 419 | I | 90.6 | Very high | 87 | Confident | 95 Ų | 95 | 61.1 Ų | 61.1 | 49% | 0.487 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -60.4 | -47.3 | 179.6 | -69 | 165.7 | 0 | 0 | 0 | 110.3 | A415 L416 G421 I422 V423 | A415-I419 VanDerWaalsContact O-CG1 3.26Å; A415-I419 WeakPolarHBondContact O-CG1 3.49Å; A415-I419 PolarHBondContact O-N 3.37Å; L416-I419 PolarHBondContact O-N 3.39Å; I419-G421 VanDerWaalsContact C-N 3.29Å; I419-G421 PolarHBondContact O-N 3Å; I419-I422 PolarHBondContact O-N 3.27Å; I419-V423 HydrophobicContact CG2-CG2 4.38Å; I419-V423 WeakPolarHBondContact O-CG2 3.35Å; I419-V423 PolarHBondContact O-N 2.73Å |
| 420 | S | 91.9 | Very high | 87.1 | Confident | 33 Ų | 33 | 63.8 Ų | 63.8 | 23% | 0.231 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -60 | -39.4 | 177.3 | 71.6 | 0 | 0 | 0 | 0 | 112.3 | L416 G417 F418 V423 L424 | L416-S420 WeakPolarHBondContact O-CB 3.1Å; L416-S420 PolarHBondContact O-N 2.91Å; L416-S420 PolarHBondContact O-OG 3.07Å; G417-S420 WeakPolarHBondContact CA-OG 3.4Å; G417-S420 PolarHBondContact O-N 3.44Å; G417-S420 PolarHBondContact O-OG 3.26Å; F418-S420 PolarHBondContact O-N 3.16Å; S420-V423 PolarHBondContact O-N 3.41Å; S420-L424 VanDerWaalsContact O-CB 3.24Å; S420-L424 WeakPolarHBondContact O-CB 3.32Å; S420-L424 PolarHBondContact O-N 3.46Å |
| 421 | G | 93.4 | Very high | 87.6 | Confident | 0 Ų | 0 | 66.8 Ų | 66.8 | 0% | 0 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -64 | -43.9 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112.6 | G417 F418 I419 Y425 | G417-G421 PolarHBondContact O-N 3.38Å; F418-G421 PolarHBondContact O-N 3Å; I419-G421 VanDerWaalsContact C-N 3.29Å; I419-G421 PolarHBondContact O-N 3Å; G421-Y425 VanDerWaalsContact O-CB 3.27Å; G421-Y425 WeakPolarHBondContact O-CB 3.44Å; G421-Y425 PolarHBondContact O-N 3.11Å |
| 422 | I | 93.8 | Very high | 88.7 | Confident | 44 Ų | 44 | 65.7 Ų | 65.7 | 23% | 0.226 | 34% | 0.342 | C | S | . | . | H | α-helix | trans | -63.7 | -50 | 175 | -72.1 | -175.7 | 0 | 0 | 0 | 110.9 | L133 V137 F418 I419 L424 Y425 L426 | L133-I422 HydrophobicContact CD2-CD1 3.92Å; V137-I422 HydrophobicContact CG1-CG1 4.29Å; V137-I422 HydrophobicContact CG2-CG1 4.3Å; F418-I422 HydrophobicContact CD1-CD1 4.29Å; F418-I422 HydrophobicContact CD2-CD1 4.36Å; F418-I422 HydrophobicContact CE1-CD1 3.56Å; F418-I422 HydrophobicContact CE2-CD1 3.63Å; F418-I422 HydrophobicContact CE2-CG1 4.19Å; F418-I422 HydrophobicContact CZ-CD1 3.19Å; F418-I422 HydrophobicContact CZ-CG1 4.2Å; F418-I422 PolarHBondContact O-N 3.37Å; I419-I422 PolarHBondContact O-N 3.27Å; I422-L424 VanDerWaalsContact C-N 3.29Å; I422-L424 PolarHBondContact O-N 2.83Å; I422-Y425 PolarHBondContact O-N 3.44Å; I422-L426 HydrophobicContact CG2-CD1 3.8Å; I422-L426 HydrophobicContact CG2-CG 4.25Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.19Å; I422-L426 PolarHBondContact O-N 3.39Å |
| 423 | V | 95.5 | Very high | 89.8 | Confident | 74 Ų | 74 | 64.6 Ų | 64.6 | 45% | 0.448 | 33% | 0.326 | S | S | . | . | H | α-helix | trans | -58 | -46.6 | -179.5 | 171.1 | 0 | 0 | 0 | 0 | 110.1 | I419 S420 Y425 L426 L427 | I419-V423 HydrophobicContact CG2-CG2 4.38Å; I419-V423 WeakPolarHBondContact O-CG2 3.35Å; I419-V423 PolarHBondContact O-N 2.73Å; S420-V423 PolarHBondContact O-N 3.41Å; V423-Y425 PolarHBondContact O-N 3.1Å; V423-L426 PolarHBondContact O-N 3.29Å; V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 4.39Å; V423-L427 VanDerWaalsContact O-CG 3.3Å; V423-L427 WeakPolarHBondContact O-CG 3.48Å; V423-L427 PolarHBondContact O-N 3.19Å |
| 424 | L | 96.4 | Very high | 90.2 | Very high | 31 Ų | 31 | 67.5 Ų | 67.5 | 16% | 0.162 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.4 | -44.9 | 177.9 | -179.3 | 58.9 | 0 | 0 | 0 | 112.2 | F399 V400 V403 S420 I422 L426 L427 L428 | F399-L424 HydrophobicContact CD1-CD2 4.02Å; F399-L424 HydrophobicContact CE1-CD1 3.89Å; F399-L424 HydrophobicContact CE1-CD2 3.81Å; F399-L424 HydrophobicContact CE1-CG 4.34Å; F399-L424 HydrophobicContact CZ-CD2 4.26Å; V400-L424 HydrophobicContact CG2-CD2 4.33Å; V400-L424 HydrophobicContact CG2-CG 4.17Å; V403-L424 HydrophobicContact CB-CD2 3.76Å; V403-L424 HydrophobicContact CG1-CD2 3.89Å; V403-L424 HydrophobicContact CG2-CD2 3.78Å; S420-L424 VanDerWaalsContact O-CB 3.24Å; S420-L424 WeakPolarHBondContact O-CB 3.32Å; S420-L424 PolarHBondContact O-N 3.46Å; I422-L424 VanDerWaalsContact C-N 3.29Å; I422-L424 PolarHBondContact O-N 2.83Å; L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 3.08Å; L424-L427 PolarHBondContact O-N 2.75Å; L424-L428 HydrophobicContact CD1-CD1 3.93Å; L424-L428 HydrophobicContact CD1-CG 4.09Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.46Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 VanDerWaalsContact O-CG 3.24Å; L424-L428 WeakPolarHBondContact O-CG 3.24Å; L424-L428 PolarHBondContact O-N 3.42Å |
| 425 | Y | 95.7 | Very high | 90.4 | Very high | 61 Ų | 61 | 75.4 Ų | 75.4 | 24% | 0.239 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -57.7 | -45.2 | 176.2 | 177.4 | -93.9 | 0 | 0 | 0 | 111.8 | P134 G421 I422 V423 L428 R429 | P134-Y425 HydrophobicContact CB-CD1 3.88Å; P134-Y425 HydrophobicContact CB-CD2 3.74Å; P134-Y425 HydrophobicContact CB-CE1 3.72Å; P134-Y425 HydrophobicContact CB-CE2 3.58Å; P134-Y425 HydrophobicContact CB-CG 3.9Å; P134-Y425 HydrophobicContact CG-CD1 3.75Å; P134-Y425 HydrophobicContact CG-CD2 4.06Å; P134-Y425 HydrophobicContact CG-CE1 4.07Å; P134-Y425 HydrophobicContact CG-CE2 4.36Å; P134-Y425 HydrophobicContact CG-CG 3.75Å; G421-Y425 VanDerWaalsContact O-CB 3.27Å; G421-Y425 WeakPolarHBondContact O-CB 3.44Å; G421-Y425 PolarHBondContact O-N 3.11Å; I422-Y425 PolarHBondContact O-N 3.44Å; V423-Y425 PolarHBondContact O-N 3.1Å; Y425-L428 PolarHBondContact O-N 3.34Å; Y425-R429 WeakPolarHBondContact O-CB 3.3Å; Y425-R429 PolarHBondContact O-N 3.39Å; Y425-R429 PolarHBondContact OH-NH1 3.08Å |
| 426 | L | 95.3 | Very high | 90.5 | Very high | 93 Ų | 93 | 78.7 Ų | 78.7 | 49% | 0.487 | 38% | 0.375 | S | S | . | . | H | α-helix | trans | -66 | -44.3 | 179.4 | -68.1 | 175 | 0 | 0 | 0 | 111.9 | I422 V423 L424 L428 R429 L430 | I422-L426 HydrophobicContact CG2-CD1 3.8Å; I422-L426 HydrophobicContact CG2-CG 4.25Å; I422-L426 VanDerWaalsContact O-CG 3.31Å; I422-L426 WeakPolarHBondContact O-CG 3.19Å; I422-L426 PolarHBondContact O-N 3.39Å; V423-L426 PolarHBondContact O-N 3.29Å; L424-L426 VanDerWaalsContact C-N 3.32Å; L424-L426 PolarHBondContact O-N 3.08Å; L426-L428 VanDerWaalsContact C-N 3.32Å; L426-L428 PolarHBondContact O-N 2.99Å; L426-R429 PolarHBondContact O-N 3Å; L426-L430 VanDerWaalsContact O-CG 3.32Å; L426-L430 WeakPolarHBondContact O-CG 3.49Å; L426-L430 PolarHBondContact O-N 3.49Å |
| 427 | L | 95.5 | Very high | 90.5 | Very high | 105 Ų | 105 | 77.8 Ų | 77.8 | 55% | 0.55 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -60.5 | -42.8 | 177.1 | -72.3 | 173.5 | 0 | 0 | 0 | 112 | V423 L424 L430 R431 | V423-L427 HydrophobicContact CG1-CD1 3.95Å; V423-L427 HydrophobicContact CG1-CG 4.39Å; V423-L427 VanDerWaalsContact O-CG 3.3Å; V423-L427 WeakPolarHBondContact O-CG 3.48Å; V423-L427 PolarHBondContact O-N 3.19Å; L424-L427 PolarHBondContact O-N 2.75Å; L427-L430 PolarHBondContact O-N 3.41Å; L427-R431 PolarHBondContact O-N 2.84Å |
| 428 | L | 93.7 | Very high | 90.2 | Very high | 25 Ų | 25 | 85.1 Ų | 85.1 | 13% | 0.131 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -64.3 | -41.9 | 177.4 | -76.8 | 173.7 | 0 | 0 | 0 | 111.7 | Q396 F399 V400 L424 Y425 L426 R431 D432 | Q396-L428 HydrophobicContact CG-CB 4.32Å; Q396-L428 HydrophobicContact CG-CD1 3.82Å; Q396-L428 HydrophobicContact CG-CD2 4.42Å; Q396-L428 HydrophobicContact CG-CG 4.41Å; F399-L428 HydrophobicContact CD1-CD1 4.05Å; V400-L428 HydrophobicContact CG2-CD1 3.61Å; L424-L428 HydrophobicContact CD1-CD1 3.93Å; L424-L428 HydrophobicContact CD1-CG 4.09Å; L424-L428 HydrophobicContact CG-CD1 3.87Å; L424-L428 HydrophobicContact CG-CG 4.46Å; L424-L428 WeakPolarHBondContact O-CB 3.38Å; L424-L428 VanDerWaalsContact O-CG 3.24Å; L424-L428 WeakPolarHBondContact O-CG 3.24Å; L424-L428 PolarHBondContact O-N 3.42Å; Y425-L428 PolarHBondContact O-N 3.34Å; L426-L428 VanDerWaalsContact C-N 3.32Å; L426-L428 PolarHBondContact O-N 2.99Å; L428-R431 WeakPolarHBondContact O-CB 3.49Å; L428-R431 PolarHBondContact O-N 3.47Å; L428-D432 VanDerWaalsContact O-CG 3.32Å; L428-D432 PolarHBondContact O-N 3.35Å; L428-D432 VanDerWaalsContact O-N 3.11Å |
| 429 | R | 91 | Very high | 89.9 | Confident | 156 Ų | 156 | 84.7 Ų | 84.7 | 59% | 0.589 | 40% | 0.403 | S | S | * | . | H | α-helix | trans | -67.8 | -35.1 | 176.9 | -168.1 | 164.4 | -178.8 | 172.1 | -4.6 | 113 | Y425 L426 R431 D432 L433 | Y425-R429 WeakPolarHBondContact O-CB 3.3Å; Y425-R429 PolarHBondContact O-N 3.39Å; Y425-R429 PolarHBondContact OH-NH1 3.08Å; L426-R429 PolarHBondContact O-N 3Å; R429-R431 VanDerWaalsContact C-N 3.35Å; R429-D432 PolarHBondContact O-N 3.47Å; R429-L433 WeakPolarHBondContact O-CB 3.48Å; R429-L433 PolarHBondContact O-N 3.28Å; R429-L433 VanDerWaalsContact O-N 3.08Å |
| 430 | L | 92.1 | Very high | 89.5 | Confident | 108 Ų | 108 | 85.3 Ų | 85.3 | 57% | 0.565 | 41% | 0.407 | S | S | * | . | H | α-helix | trans | -64.6 | -40.1 | 173 | -73.5 | 171 | 0 | 0 | 0 | 111.6 | L426 L427 L433 E434 | L426-L430 VanDerWaalsContact O-CG 3.32Å; L426-L430 WeakPolarHBondContact O-CG 3.49Å; L426-L430 PolarHBondContact O-N 3.49Å; L427-L430 PolarHBondContact O-N 3.41Å; L430-L433 PolarHBondContact O-N 3.4Å; L430-E434 PolarHBondContact O-N 3.06Å |
| 431 | R | 90.9 | Very high | 89.1 | Confident | 158 Ų | 158 | 88.7 Ų | 88.7 | 60% | 0.596 | 42% | 0.422 | S | S | * | . | H | α-helix | trans | -63.1 | -43.2 | 176.7 | -168.8 | -172 | 77 | 151 | 5.9 | 112.1 | L427 L428 R429 L433 E434 W435 | L427-R431 PolarHBondContact O-N 2.84Å; L428-R431 WeakPolarHBondContact O-CB 3.49Å; L428-R431 PolarHBondContact O-N 3.47Å; R429-R431 VanDerWaalsContact C-N 3.35Å; R431-L433 VanDerWaalsContact C-N 3.34Å; R431-E434 PolarHBondContact O-N 2.99Å; R431-W435 PolarHBondContact O-N 2.64Å |
| 432 | D | 87.8 | Confident | 88.6 | Confident | 52 Ų | 52 | 90.7 Ų | 90.7 | 28% | 0.278 | 44% | 0.442 | S | S | . | . | H | α-helix | trans | -67.7 | -38.3 | 179.5 | -60.4 | -23.2 | 0 | 0 | 0 | 110.9 | Q396 L428 R429 E434 W435 D436 | Q396-D432 PolarHBondContact NE2-OD2 3.44Å; Q396-D432 PolarHBondContact OE1-OD2 3.3Å; L428-D432 VanDerWaalsContact O-CG 3.32Å; L428-D432 PolarHBondContact O-N 3.35Å; L428-D432 VanDerWaalsContact O-N 3.11Å; R429-D432 PolarHBondContact O-N 3.47Å; D432-E434 PolarHBondContact O-N 3.5Å; D432-W435 WeakPolarHBondContact O-CB 3.44Å; D432-W435 PolarHBondContact O-N 3Å; D432-D436 PolarHBondContact O-N 3.21Å |
| 433 | L | 85.9 | Confident | 88.1 | Confident | 97 Ų | 97 | 97 Ų | 97 | 51% | 0.508 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -61.5 | -43 | 173.5 | -174.3 | 69.3 | 0 | 0 | 0 | 112.1 | R429 L430 R431 W435 D436 I437 | R429-L433 WeakPolarHBondContact O-CB 3.48Å; R429-L433 PolarHBondContact O-N 3.28Å; R429-L433 VanDerWaalsContact O-N 3.08Å; L430-L433 PolarHBondContact O-N 3.4Å; R431-L433 VanDerWaalsContact C-N 3.34Å; L433-W435 VanDerWaalsContact C-N 3.31Å; L433-W435 PolarHBondContact O-N 2.86Å; L433-D436 PolarHBondContact O-N 2.85Å; L433-I437 HydrophobicContact CD1-CD1 4.46Å; L433-I437 HydrophobicContact CG-CD1 4.01Å; L433-I437 WeakPolarHBondContact O-CD1 3.46Å; L433-I437 VanDerWaalsContact O-CG1 3.23Å; L433-I437 WeakPolarHBondContact O-CG1 3.23Å; L433-I437 PolarHBondContact O-N 2.95Å |
| 434 | E | 84.7 | Confident | 87.2 | Confident | 95 Ų | 95 | 100.8 Ų | 100.8 | 44% | 0.444 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -62.4 | -40.4 | 175.7 | -171.5 | -176.3 | 173.4 | 0 | 0 | 111.5 | L430 R431 D432 I437 R438 | L430-E434 PolarHBondContact O-N 3.06Å; R431-E434 PolarHBondContact O-N 2.99Å; D432-E434 PolarHBondContact O-N 3.5Å; E434-I437 PolarHBondContact O-N 3.44Å; E434-R438 WeakPolarHBondContact O-CB 3.35Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 3.48Å; E434-R438 IonicContact OE1-CZ 3.14Å; E434-R438 IonicContact OE1-NE 3.47Å; E434-R438 PolarHBondContact OE1-NE 3.37Å; E434-R438 IonicContact OE1-NH1 3.94Å; E434-R438 IonicContact OE1-NH2 2.64Å; E434-R438 PolarHBondContact OE1-NH2 2.89Å |
| 435 | W | 79.8 | Confident | 86.4 | Confident | 190 Ų | 190 | 101.4 Ų | 101.4 | 72% | 0.72 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -64.3 | -43.4 | 176.6 | -170 | -93 | 0 | 0 | 0 | 112.1 | R431 D432 L433 R438 G439 | R431-W435 PolarHBondContact O-N 2.64Å; D432-W435 WeakPolarHBondContact O-CB 3.44Å; D432-W435 PolarHBondContact O-N 3Å; L433-W435 VanDerWaalsContact C-N 3.31Å; L433-W435 PolarHBondContact O-N 2.86Å; W435-R438 PolarHBondContact O-N 3.3Å; W435-G439 PolarHBondContact O-N 3.48Å |
| 436 | D | 84.1 | Confident | 85.5 | Confident | 94 Ų | 94 | 101 Ų | 101 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.1 | -43 | 177.7 | -74.2 | -21.7 | 0 | 0 | 0 | 111.8 | D432 L433 G439 L440 | D432-D436 PolarHBondContact O-N 3.21Å; L433-D436 PolarHBondContact O-N 2.85Å; D436-G439 PolarHBondContact O-N 3.32Å; D436-L440 WeakPolarHBondContact O-CB 3.39Å; D436-L440 WeakPolarHBondContact O-CG 3.33Å; D436-L440 PolarHBondContact O-N 3.28Å |
| 437 | I | 86.1 | Confident | 84.6 | Confident | 84 Ų | 84 | 98.4 Ų | 98.4 | 43% | 0.431 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -62.1 | -45.5 | 176.1 | -68.4 | 165.8 | 0 | 0 | 0 | 110.5 | L433 E434 G439 L440 L441 | L433-I437 HydrophobicContact CD1-CD1 4.46Å; L433-I437 HydrophobicContact CG-CD1 4.01Å; L433-I437 WeakPolarHBondContact O-CD1 3.46Å; L433-I437 VanDerWaalsContact O-CG1 3.23Å; L433-I437 WeakPolarHBondContact O-CG1 3.23Å; L433-I437 PolarHBondContact O-N 2.95Å; E434-I437 PolarHBondContact O-N 3.44Å; I437-G439 VanDerWaalsContact C-N 3.34Å; I437-G439 PolarHBondContact O-N 3Å; I437-L440 PolarHBondContact O-N 3.34Å; I437-L441 HydrophobicContact CG2-CD1 4.02Å; I437-L441 WeakPolarHBondContact O-CG 3.49Å; I437-L441 PolarHBondContact O-N 2.9Å |
| 438 | R | 81.9 | Confident | 83.3 | Confident | 155 Ų | 155 | 99.8 Ų | 99.8 | 59% | 0.585 | 48% | 0.482 | S | S | * | . | H | α-helix | trans | -64.1 | -39.1 | 176.5 | -73.9 | -179 | -178.9 | -173.7 | 4 | 112.1 | E434 W435 L441 G442 | E434-R438 WeakPolarHBondContact O-CB 3.35Å; E434-R438 WeakPolarHBondContact O-CG 3.49Å; E434-R438 PolarHBondContact O-N 3.48Å; E434-R438 IonicContact OE1-CZ 3.14Å; E434-R438 IonicContact OE1-NE 3.47Å; E434-R438 PolarHBondContact OE1-NE 3.37Å; E434-R438 IonicContact OE1-NH1 3.94Å; E434-R438 IonicContact OE1-NH2 2.64Å; E434-R438 PolarHBondContact OE1-NH2 2.89Å; W435-R438 PolarHBondContact O-N 3.3Å; R438-L441 PolarHBondContact O-N 3.42Å; R438-G442 PolarHBondContact O-N 2.88Å |
| 439 | G | 82.7 | Confident | 81.8 | Confident | 28 Ų | 28 | 107.8 Ų | 107.8 | 29% | 0.289 | 51% | 0.511 | S | S | . | . | H | α-helix | trans | -65.3 | -35.9 | 175.5 | 0 | 0 | 0 | 0 | 0 | 113.2 | W435 D436 I437 R443 | W435-G439 PolarHBondContact O-N 3.48Å; D436-G439 PolarHBondContact O-N 3.32Å; I437-G439 VanDerWaalsContact C-N 3.34Å; I437-G439 PolarHBondContact O-N 3Å; G439-R443 WeakPolarHBondContact O-CB 3.47Å; G439-R443 WeakPolarHBondContact O-CG 3.39Å; G439-R443 PolarHBondContact O-N 3.32Å; G439-R443 VanDerWaalsContact O-N 3.09Å; G439-R443 PolarHBondContact O-NE 2.91Å |
| 440 | L | 81.4 | Confident | 80.3 | Confident | 109 Ų | 109 | 106.5 Ų | 106.5 | 57% | 0.571 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -68.9 | -46.8 | 173.6 | -74.9 | 168.3 | 0 | 0 | 0 | 111.7 | D436 I437 G442 R443 W444 | D436-L440 WeakPolarHBondContact O-CB 3.39Å; D436-L440 WeakPolarHBondContact O-CG 3.33Å; D436-L440 PolarHBondContact O-N 3.28Å; I437-L440 PolarHBondContact O-N 3.34Å; L440-G442 VanDerWaalsContact C-N 3.32Å; L440-G442 PolarHBondContact O-N 2.88Å; L440-R443 PolarHBondContact O-N 3.45Å; L440-W444 WeakPolarHBondContact O-CB 3.43Å; L440-W444 PolarHBondContact O-N 2.91Å |
| 441 | L | 83.4 | Confident | 78.7 | Confident | 104 Ų | 104 | 104.3 Ų | 104.3 | 55% | 0.545 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -62.2 | -39.7 | 176.6 | -72.6 | 170.1 | 0 | 0 | 0 | 112 | I437 R438 W444 A445 | I437-L441 HydrophobicContact CG2-CD1 4.02Å; I437-L441 WeakPolarHBondContact O-CG 3.49Å; I437-L441 PolarHBondContact O-N 2.9Å; R438-L441 PolarHBondContact O-N 3.42Å; L441-W444 PolarHBondContact O-N 3.09Å; L441-A445 WeakPolarHBondContact O-CB 3.41Å; L441-A445 PolarHBondContact O-N 3.26Å |
| 442 | G | 83.9 | Confident | 77.2 | Confident | 41 Ų | 41 | 100.6 Ų | 100.6 | 42% | 0.423 | 50% | 0.5 | S | S | . | . | H | α-helix | trans | -63.4 | -45.8 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | R438 L440 A445 A446 | R438-G442 PolarHBondContact O-N 2.88Å; L440-G442 VanDerWaalsContact C-N 3.32Å; L440-G442 PolarHBondContact O-N 2.88Å; G442-A445 PolarHBondContact O-N 3.34Å; G442-A446 WeakPolarHBondContact O-CB 3.38Å; G442-A446 PolarHBondContact O-N 3.44Å |
| 443 | R | 81.7 | Confident | 75.9 | Confident | 177 Ų | 177 | 103.1 Ų | 103.1 | 67% | 0.668 | 51% | 0.514 | S | S | * | . | H | α-helix | trans | -63.3 | -40.2 | 174.9 | -79.5 | -175.4 | -87.9 | -155.8 | -2 | 112.3 | G439 L440 A446 G447 | G439-R443 WeakPolarHBondContact O-CB 3.47Å; G439-R443 WeakPolarHBondContact O-CG 3.39Å; G439-R443 PolarHBondContact O-N 3.32Å; G439-R443 VanDerWaalsContact O-N 3.09Å; G439-R443 PolarHBondContact O-NE 2.91Å; L440-R443 PolarHBondContact O-N 3.45Å; R443-A446 PolarHBondContact O-N 3.36Å; R443-G447 PolarHBondContact O-N 3.32Å |
| 444 | W | 77.3 | Confident | 74.6 | Confident | 153 Ų | 153 | 104 Ų | 104 | 58% | 0.58 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -66.1 | -38.4 | 176.2 | -175.1 | 71.7 | 0 | 0 | 0 | 112.6 | L440 L441 R448 | L440-W444 WeakPolarHBondContact O-CB 3.43Å; L440-W444 PolarHBondContact O-N 2.91Å; L441-W444 PolarHBondContact O-N 3.09Å; W444-R448 PolarHBondContact O-N 2.99Å |
| 445 | A | 80.3 | Confident | 73.2 | Confident | 45 Ų | 45 | 102.5 Ų | 102.5 | 37% | 0.372 | 52% | 0.519 | S | S | . | . | H | α-helix | trans | -68.1 | -38.8 | 173.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | L441 G442 R449 | L441-A445 WeakPolarHBondContact O-CB 3.41Å; L441-A445 PolarHBondContact O-N 3.26Å; G442-A445 PolarHBondContact O-N 3.34Å; A445-R449 PolarHBondContact O-N 2.88Å |
| 446 | A | 76.8 | Confident | 72.2 | Confident | 53 Ų | 53 | 99.4 Ų | 99.4 | 44% | 0.438 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -68 | -44.3 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | G442 R443 R448 R449 Q450 | G442-A446 WeakPolarHBondContact O-CB 3.38Å; G442-A446 PolarHBondContact O-N 3.44Å; R443-A446 PolarHBondContact O-N 3.36Å; A446-R448 VanDerWaalsContact C-N 3.28Å; A446-R448 PolarHBondContact O-N 3.07Å; A446-R449 PolarHBondContact O-N 3.36Å; A446-Q450 PolarHBondContact O-N 3.04Å |
| 447 | G | 75 | Confident | 70.9 | Confident | 38 Ų | 38 | 102 Ų | 102 | 39% | 0.392 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -59.1 | -38 | 176.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | R443 R449 Q450 S451 | R443-G447 PolarHBondContact O-N 3.32Å; G447-R449 PolarHBondContact O-N 3.02Å; G447-Q450 PolarHBondContact O-N 3.29Å; G447-S451 PolarHBondContact O-N 3.49Å; G447-S451 PolarHBondContact O-OG 3.21Å |
| 448 | R | 69.6 | Low | 69.5 | Low | 133 Ų | 133 | 104.1 Ų | 104.1 | 50% | 0.502 | 54% | 0.538 | S | S | . | . | H | α-helix | trans | -66.3 | -33 | 173 | -79.6 | -165.2 | -69.3 | 166.2 | 5.6 | 113.8 | W444 A446 S451 T452 | W444-R448 PolarHBondContact O-N 2.99Å; A446-R448 VanDerWaalsContact C-N 3.28Å; A446-R448 PolarHBondContact O-N 3.07Å; R448-S451 PolarHBondContact O-OG 3.05Å; R448-T452 WeakPolarHBondContact O-CG2 3.33Å; R448-T452 PolarHBondContact O-N 3.34Å; R448-T452 PolarHBondContact O-OG1 3.31Å; R448-T452 VanDerWaalsContact O-OG1 3.12Å |
| 449 | R | 60.9 | Low | 68.2 | Low | 193 Ų | 193 | 99.5 Ų | 99.5 | 73% | 0.728 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -70.9 | -35.6 | 174.7 | -77.2 | -173.7 | -173.5 | -179 | 1.7 | 112.2 | A445 A446 G447 T452 N453 | A445-R449 PolarHBondContact O-N 2.88Å; A446-R449 PolarHBondContact O-N 3.36Å; G447-R449 PolarHBondContact O-N 3.02Å; R449-T452 WeakPolarHBondContact CA-OG1 3.3Å; R449-T452 PolarHBondContact O-N 3.49Å; R449-T452 PolarHBondContact O-OG1 2.92Å; R449-N453 PolarHBondContact O-N 3.12Å |
| 450 | Q | 60.3 | Low | 66.9 | Low | 129 Ų | 129 | 101.5 Ų | 101.5 | 60% | 0.603 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -67.4 | -45.9 | 177.4 | -129.1 | 168.6 | -9.8 | 0 | 0 | 111 | A446 G447 T452 N453 E454 | A446-Q450 PolarHBondContact O-N 3.04Å; G447-Q450 PolarHBondContact O-N 3.29Å; Q450-T452 VanDerWaalsContact C-N 3.28Å; Q450-T452 PolarHBondContact O-N 3.46Å; Q450-N453 PolarHBondContact O-N 3.09Å; Q450-N453 VanDerWaalsContact O-N 3.09Å; Q450-E454 PolarHBondContact O-N 3.15Å |
| 451 | S | 58.7 | Low | 65.5 | Low | 62 Ų | 62 | 99.2 Ų | 99.2 | 43% | 0.434 | 56% | 0.555 | S | S | . | * | H | α-helix | trans | -62.8 | -32.6 | 175.7 | 64.9 | 0 | 0 | 0 | 0 | 113.4 | G447 R448 A455 | G447-S451 PolarHBondContact O-N 3.49Å; G447-S451 PolarHBondContact O-OG 3.21Å; R448-S451 PolarHBondContact O-OG 3.05Å; S451-A455 VanDerWaalsContact O-CB 3.3Å; S451-A455 WeakPolarHBondContact O-CB 3.33Å; S451-A455 PolarHBondContact O-N 2.82Å; S451-A455 VanDerWaalsContact O-N 3.15Å |
| 452 | T | 59.5 | Low | 63.9 | Low | 80 Ų | 80 | 102 Ų | 102 | 49% | 0.491 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -75.1 | -28.1 | 175 | 51.6 | 0 | 0 | 0 | 0 | 113.1 | R448 R449 Q450 N456 | R448-T452 WeakPolarHBondContact O-CG2 3.33Å; R448-T452 PolarHBondContact O-N 3.34Å; R448-T452 PolarHBondContact O-OG1 3.31Å; R448-T452 VanDerWaalsContact O-OG1 3.12Å; R449-T452 WeakPolarHBondContact CA-OG1 3.3Å; R449-T452 PolarHBondContact O-N 3.49Å; R449-T452 PolarHBondContact O-OG1 2.92Å; Q450-T452 VanDerWaalsContact C-N 3.28Å; Q450-T452 PolarHBondContact O-N 3.46Å; T452-N456 PolarHBondContact O-N 3.34Å |
| 453 | N | 59.1 | Low | 62 | Low | 105 Ų | 105 | 107.3 Ų | 107.3 | 56% | 0.561 | 61% | 0.61 | S | S | * | * | H | α-helix | trans | -77.2 | -43.4 | 175.1 | -93.3 | 13.5 | 0 | 0 | 0 | 111.5 | R449 Q450 A455 N456 E457 | R449-N453 PolarHBondContact O-N 3.12Å; Q450-N453 PolarHBondContact O-N 3.09Å; Q450-N453 VanDerWaalsContact O-N 3.09Å; N453-A455 VanDerWaalsContact C-N 3.33Å; N453-A455 PolarHBondContact O-N 3.26Å; N453-N456 PolarHBondContact O-N 3.34Å; N453-N456 VanDerWaalsContact O-N 3.09Å; N453-E457 PolarHBondContact O-N 3.18Å |
| 454 | E | 58.1 | Low | 61 | Low | 116 Ų | 116 | 103.8 Ų | 103.8 | 54% | 0.542 | 61% | 0.607 | S | S | . | * | H | α-helix | trans | -60.4 | -43 | 174.8 | -73.8 | 174.8 | 171.4 | 0 | 0 | 111 | Q450 N456 E457 D458 | Q450-E454 PolarHBondContact O-N 3.15Å; E454-N456 PolarHBondContact O-N 2.92Å; E454-E457 PolarHBondContact O-N 2.93Å; E454-D458 PolarHBondContact O-N 3.46Å |
| 455 | A | 57 | Low | 60.2 | Low | 64 Ų | 64 | 101.2 Ų | 101.2 | 53% | 0.529 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -63.1 | -27.7 | 175 | 0 | 0 | 0 | 0 | 0 | 113.8 | S451 N453 G459 | S451-A455 VanDerWaalsContact O-CB 3.3Å; S451-A455 WeakPolarHBondContact O-CB 3.33Å; S451-A455 PolarHBondContact O-N 2.82Å; S451-A455 VanDerWaalsContact O-N 3.15Å; N453-A455 VanDerWaalsContact C-N 3.33Å; N453-A455 PolarHBondContact O-N 3.26Å; A455-G459 PolarHBondContact O-N 3.09Å |
| 456 | N | 57.2 | Low | 59.1 | Low | 124 Ų | 124 | 104.3 Ų | 104.3 | 66% | 0.663 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -82.2 | -31 | 175.1 | -91.5 | -6.9 | 0 | 0 | 0 | 112.6 | T452 N453 E454 A460 | T452-N456 PolarHBondContact O-N 3.34Å; N453-N456 PolarHBondContact O-N 3.34Å; N453-N456 VanDerWaalsContact O-N 3.09Å; E454-N456 PolarHBondContact O-N 2.92Å; N456-A460 WeakPolarHBondContact O-CB 3.48Å; N456-A460 PolarHBondContact O-N 3.32Å |
| 457 | E | 57.4 | Low | 58 | Low | 148 Ų | 148 | 107.4 Ų | 107.4 | 69% | 0.692 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -74.1 | -42.7 | 175.2 | -77.5 | -175.8 | 170.7 | 0 | 0 | 111.4 | N453 E454 G459 A460 G461 | N453-E457 PolarHBondContact O-N 3.18Å; E454-E457 PolarHBondContact O-N 2.93Å; E457-G459 VanDerWaalsContact C-N 3.28Å; E457-G459 PolarHBondContact O-N 3.44Å; E457-A460 PolarHBondContact O-N 3.11Å; E457-A460 VanDerWaalsContact O-N 3.11Å; E457-G461 PolarHBondContact O-N 3.42Å |
| 458 | D | 57.3 | Low | 56.9 | Low | 129 Ų | 129 | 111.7 Ų | 111.7 | 69% | 0.69 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -65.2 | -33.7 | 175.6 | -72 | -18.9 | 0 | 0 | 0 | 111.7 | E454 A460 | E454-D458 PolarHBondContact O-N 3.46Å; D458-A460 VanDerWaalsContact C-N 3.29Å; D458-A460 PolarHBondContact O-N 3.39Å |
| 459 | G | 55.1 | Low | 56.1 | Low | 58 Ų | 58 | 110.3 Ų | 110.3 | 60% | 0.598 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.8 | -17.2 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.7 | A455 E457 | A455-G459 PolarHBondContact O-N 3.09Å; E457-G459 VanDerWaalsContact C-N 3.28Å; E457-G459 PolarHBondContact O-N 3.44Å |
| 460 | A | 55.3 | Low | 55.8 | Low | 71 Ų | 71 | 104.4 Ų | 104.4 | 59% | 0.587 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.8 | -8.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | N456 E457 D458 | N456-A460 WeakPolarHBondContact O-CB 3.48Å; N456-A460 PolarHBondContact O-N 3.32Å; E457-A460 PolarHBondContact O-N 3.11Å; E457-A460 VanDerWaalsContact O-N 3.11Å; D458-A460 VanDerWaalsContact C-N 3.29Å; D458-A460 PolarHBondContact O-N 3.39Å |
| 461 | G | 51.2 | Low | 55.4 | Low | 60 Ų | 60 | 102.5 Ų | 102.5 | 62% | 0.619 | 66% | 0.656 | S | S | * | * | S | Bend | trans | -85 | -12.9 | 178.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | E457 | E457-G461 PolarHBondContact O-N 3.42Š|
| 462 | D | 49.8 | Very low | 55.1 | Low | 163 Ų | 163 | 105.8 Ų | 105.8 | 87% | 0.872 | 68% | 0.675 | S | S | * | * | trans | -105.3 | 15.1 | -173.8 | -83.5 | -11.5 | 0 | 0 | 0 | 114.4 | ||||
| 463 | A | 44.4 | Very low | 54.7 | Low | 152 Ų | 152 | 108.2 Ų | 108.2 | 100% | 1.256 | 69% | 0.692 | S | S | * | * | trans | -112.4 | 0 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.9 |
Retrieved 463 of 463 residues in 1862.4 ms
(Link to these results)