| 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 | 32.1 | Very low | 33.1 | Very low | 246 Ų | 246 | 111.6 Ų | 111.6 | 100% | 1.212 | 66% | 0.657 | S | S | * | * | 0 | 96.7 | 0 | -91.3 | 172.9 | 144.8 | 0 | 0 | 107.7 | S3 | M1-S3 PolarHBondContact O-N 3.18Š| |||
| 2 | E | 28.6 | Very low | 33.4 | Very low | 195 Ų | 195 | 104.3 Ų | 104.3 | 91% | 0.911 | 62% | 0.618 | S | S | * | * | trans | -71.6 | 109.1 | 178.2 | -71.9 | 165.5 | 113.3 | 0 | 0 | 109.4 | N4 | E2-N4 PolarHBondContact O-N 2.94Š| ||
| 3 | S | 31.9 | Very low | 33.9 | Very low | 117 Ų | 117 | 100.3 Ų | 100.3 | 82% | 0.818 | 60% | 0.599 | S | S | * | * | trans | -88.4 | 106.7 | 169.2 | 65.8 | 0 | 0 | 0 | 0 | 109.4 | M1 G5 | M1-S3 PolarHBondContact O-N 3.18Å; S3-G5 PolarHBondContact O-N 3.07Å; S3-G5 VanDerWaalsContact O-N 3.16Å | ||
| 4 | N | 29.9 | Very low | 34 | Very low | 157 Ų | 157 | 94.4 Ų | 94.4 | 84% | 0.84 | 57% | 0.567 | S | S | * | * | trans | -38.2 | 104.9 | 177.2 | -77.3 | -53.7 | 0 | 0 | 0 | 115.3 | E2 K6 | E2-N4 PolarHBondContact O-N 2.94Å; N4-K6 PolarHBondContact O-N 3.39Å | ||
| 5 | G | 29.4 | Very low | 33.9 | Very low | 53 Ų | 53 | 90.5 Ų | 90.5 | 55% | 0.546 | 55% | 0.549 | S | S | . | . | trans | -78.5 | 98.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 111.3 | S3 | S3-G5 PolarHBondContact O-N 3.07Å; S3-G5 VanDerWaalsContact O-N 3.16Å | ||
| 6 | K | 31 | Very low | 33.6 | Very low | 202 Ų | 202 | 88.6 Ų | 88.6 | 88% | 0.878 | 55% | 0.545 | S | S | * | . | trans | -106.6 | 39.5 | 175.2 | -138.7 | -178.3 | -171.4 | -177.4 | 0 | 116.3 | N4 | N4-K6 PolarHBondContact O-N 3.39Š| ||
| 7 | P | 36.5 | Very low | 33.2 | Very low | 65 Ų | 65 | 88.1 Ų | 88.1 | 42% | 0.422 | 55% | 0.552 | S | S | . | * | trans | -92.8 | -8.7 | 168.1 | 34.7 | -30.7 | 0 | 0 | 0 | 114.3 | A9 A10 | P7-A9 PolarHBondContact O-N 2.91Å; P7-A10 PolarHBondContact O-N 3.32Å | ||
| 8 | A | 37.8 | Very low | 32.8 | Very low | 51 Ų | 51 | 87.2 Ų | 87.2 | 42% | 0.421 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -61.6 | -21.5 | -170.5 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||
| 9 | A | 33.3 | Very low | 32.3 | Very low | 74 Ų | 74 | 87.6 Ų | 87.6 | 61% | 0.612 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -83 | -29.6 | -176.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | P7 S13 | P7-A9 PolarHBondContact O-N 2.91Å; A9-S13 VanDerWaalsContact O-CB 3.24Å; A9-S13 WeakPolarHBondContact O-CB 3.39Å; A9-S13 PolarHBondContact O-N 3.07Å; A9-S13 PolarHBondContact O-OG 2.86Å |
| 10 | A | 36.5 | Very low | 31.8 | Very low | 52 Ų | 52 | 88.6 Ų | 88.6 | 43% | 0.43 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -79 | -26.8 | -166.1 | 0 | 0 | 0 | 0 | 0 | 114.6 | P7 S13 R62 | P7-A10 PolarHBondContact O-N 3.32Å; A10-S13 PolarHBondContact O-OG 3.19Å; A10-R62 PolarHBondContact O-NH2 3.39Å |
| 11 | A | 37.3 | Very low | 31.5 | Very low | 16 Ų | 16 | 90.1 Ų | 90.1 | 13% | 0.132 | 60% | 0.595 | C | S | . | * | H | α-helix | trans | -81.9 | -37.5 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.5 | Y150 | A11-Y150 HydrophobicContact CB-CE2 4.12Å |
| 12 | A | 37 | Very low | 31.1 | Very low | 23 Ų | 23 | 83 Ų | 83 | 19% | 0.19 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -73.7 | -30.4 | 176.7 | 0 | 0 | 0 | 0 | 0 | 113.3 | A14 A15 L153 L193 | A12-A14 VanDerWaalsContact C-N 3.3Å; A12-A14 PolarHBondContact O-N 3.1Å; A12-A15 PolarHBondContact O-N 3.2Å; A12-L153 HydrophobicContact CB-CD2 4.26Å; A12-L193 HydrophobicContact CB-CD2 3.94Å |
| 13 | S | 39.1 | Very low | 30.9 | Very low | 53 Ų | 53 | 78.8 Ų | 78.8 | 37% | 0.371 | 57% | 0.574 | S | S | . | * | H | α-helix | trans | -65.3 | -30.9 | 179.5 | 65.8 | 0 | 0 | 0 | 0 | 113 | A9 A10 A15 A16 A17 | A9-S13 VanDerWaalsContact O-CB 3.24Å; A9-S13 WeakPolarHBondContact O-CB 3.39Å; A9-S13 PolarHBondContact O-N 3.07Å; A9-S13 PolarHBondContact O-OG 2.86Å; A10-S13 PolarHBondContact O-OG 3.19Å; S13-A15 VanDerWaalsContact C-N 3.3Å; S13-A15 PolarHBondContact O-N 3.44Å; S13-A16 PolarHBondContact O-N 3.46Å; S13-A17 PolarHBondContact O-N 3.32Å; S13-A17 VanDerWaalsContact O-N 3.13Å |
| 14 | A | 35.7 | Very low | 30.7 | Very low | 18 Ų | 18 | 79.9 Ų | 79.9 | 15% | 0.149 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -63.2 | -34.1 | -179 | 0 | 0 | 0 | 0 | 0 | 112.8 | A12 A16 | A12-A14 VanDerWaalsContact C-N 3.3Å; A12-A14 PolarHBondContact O-N 3.1Å; A14-A16 PolarHBondContact O-N 3.13Å |
| 15 | A | 33 | Very low | 30.5 | Very low | 36 Ų | 36 | 79.1 Ų | 79.1 | 30% | 0.298 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.6 | -18.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 113 | A12 S13 | A12-A15 PolarHBondContact O-N 3.2Å; S13-A15 VanDerWaalsContact C-N 3.3Å; S13-A15 PolarHBondContact O-N 3.44Å |
| 16 | A | 28.7 | Very low | 30.7 | Very low | 60 Ų | 60 | 85.7 Ų | 85.7 | 50% | 0.496 | 59% | 0.594 | S | S | . | * | H | α-helix | trans | -102.1 | -28.8 | -176.4 | 0 | 0 | 0 | 0 | 0 | 114.8 | S13 A14 | S13-A16 PolarHBondContact O-N 3.46Å; A14-A16 PolarHBondContact O-N 3.13Å |
| 17 | A | 26.9 | Very low | 30.9 | Very low | 80 Ų | 80 | 80.4 Ų | 80.4 | 66% | 0.661 | 59% | 0.588 | S | S | * | * | H | α-helix | trans | -108.1 | -12.9 | -159.3 | 0 | 0 | 0 | 0 | 0 | 118.3 | S13 A19 | S13-A17 PolarHBondContact O-N 3.32Å; S13-A17 VanDerWaalsContact O-N 3.13Å; A17-A19 PolarHBondContact O-N 3.32Å |
| 18 | A | 26.5 | Very low | 31.2 | Very low | 71 Ų | 71 | 82.5 Ų | 82.5 | 59% | 0.587 | 60% | 0.599 | S | S | * | * | trans | -83.9 | 90.9 | -173.3 | 0 | 0 | 0 | 0 | 0 | 113.1 | K164 | A18-K164 PolarHBondContact O-NZ 2.92Š| ||
| 19 | A | 23.2 | Very low | 31.6 | Very low | 96 Ų | 96 | 80.9 Ų | 80.9 | 79% | 0.793 | 58% | 0.584 | S | S | * | * | trans | -145.2 | 90.6 | 166.2 | 0 | 0 | 0 | 0 | 0 | 109.6 | A17 | A17-A19 PolarHBondContact O-N 3.32Š| ||
| 20 | A | 22.3 | Very low | 32.3 | Very low | 107 Ų | 107 | 82 Ų | 82 | 88% | 0.884 | 59% | 0.593 | S | S | * | * | trans | 169.9 | 127.3 | 152.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 21 | S | 24.5 | Very low | 33.3 | Very low | 120 Ų | 120 | 82.4 Ų | 82.4 | 84% | 0.839 | 60% | 0.602 | S | S | * | * | trans | -131.4 | 155.3 | -171.5 | 56.8 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 22 | A | 23.6 | Very low | 35.1 | Very low | 98 Ų | 98 | 84.8 Ų | 84.8 | 81% | 0.81 | 63% | 0.628 | S | S | * | * | trans | 97.6 | 110.1 | 153.6 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 23 | A | 25.2 | Very low | 37.3 | Very low | 106 Ų | 106 | 84 Ų | 84 | 88% | 0.876 | 62% | 0.621 | S | S | * | * | -177.2 | 140.6 | 121.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | |||||
| 24 | T | 26.7 | Very low | 39.8 | Very low | 140 Ų | 140 | 83.8 Ų | 83.8 | 86% | 0.859 | 62% | 0.62 | S | S | * | * | trans | -75 | 136.6 | -175.5 | -10.8 | 0 | 0 | 0 | 0 | 113.4 | ||||
| 25 | T | 26.2 | Very low | 42.3 | Very low | 140 Ų | 140 | 86.8 Ų | 86.8 | 86% | 0.859 | 63% | 0.632 | S | S | * | * | trans | -171.8 | 142 | 141.5 | -42 | 0 | 0 | 0 | 0 | 110 | ||||
| 26 | E | 32.9 | Very low | 45.1 | Very low | 192 Ų | 192 | 91.9 Ų | 91.9 | 90% | 0.897 | 65% | 0.649 | S | S | * | * | trans | -61.1 | 127.7 | 173.5 | -66.6 | 174.2 | 142.6 | 0 | 0 | 112.8 | ||||
| 27 | A | 37 | Very low | 48.2 | Very low | 91 Ų | 91 | 92.8 Ų | 92.8 | 75% | 0.752 | 64% | 0.643 | S | S | * | * | S | Bend | trans | 156.8 | 136.8 | 151.8 | 0 | 0 | 0 | 0 | 0 | 108.5 | ||
| 28 | V | 41.1 | Very low | 51.4 | Low | 109 Ų | 109 | 89 Ų | 89 | 66% | 0.661 | 61% | 0.612 | S | S | * | * | S | Bend | trans | 23.3 | 108 | 170.2 | -172.2 | 0 | 0 | 0 | 0 | 114.9 | A30 | V28-A30 PolarHBondContact O-N 3.13Š|
| 29 | P | 46 | Very low | 54.6 | Low | 16 Ų | 16 | 88.6 Ų | 88.6 | 10% | 0.104 | 61% | 0.605 | C | S | . | * | trans | -40.4 | 116.1 | 172.3 | -31.3 | 36.8 | 0 | 0 | 0 | 110.7 | G31 G32 P66 | P29-G31 VanDerWaalsContact C-N 3.34Å; P29-G31 PolarHBondContact O-N 2.99Å; P29-G32 PolarHBondContact O-N 3.21Å; P29-P66 HydrophobicContact CB-CG 4.21Å; P29-P66 HydrophobicContact CG-CG 4.43Å | ||
| 30 | A | 48.5 | Very low | 58 | Low | 98 Ų | 98 | 89.2 Ų | 89.2 | 81% | 0.81 | 59% | 0.591 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -54.3 | 98.4 | -178.5 | 0 | 0 | 0 | 0 | 0 | 108.6 | V28 V64 | V28-A30 PolarHBondContact O-N 3.13Å; A30-V64 WeakPolarHBondContact O-CG1 3.14Å |
| 31 | G | 58.5 | Low | 61.6 | Low | 60 Ų | 60 | 85.5 Ų | 85.5 | 62% | 0.619 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 146.4 | -5.8 | -167.5 | 0 | 0 | 0 | 0 | 0 | 116.2 | P29 V33 | P29-G31 VanDerWaalsContact C-N 3.34Å; P29-G31 PolarHBondContact O-N 2.99Å; G31-V33 PolarHBondContact O-N 3.19Å |
| 32 | G | 74.7 | Confident | 65 | Low | 66 Ų | 66 | 80 Ų | 80 | 68% | 0.68 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 78.2 | 17.2 | 170.7 | 0 | 0 | 0 | 0 | 0 | 114.9 | P29 | P29-G32 PolarHBondContact O-N 3.21Š|
| 33 | V | 84 | Confident | 68.4 | Low | 6 Ų | 6 | 79.8 Ų | 79.8 | 4% | 0.036 | 50% | 0.498 | C | S | . | . | trans | -98 | 120.3 | 176.2 | -178.3 | 0 | 0 | 0 | 0 | 108.7 | G31 V38 W41 K61 I65 | G31-V33 PolarHBondContact O-N 3.19Å; V33-V38 HydrophobicContact CG1-CG2 3.59Å; V33-W41 HydrophobicContact CG1-CH2 3.95Å; V33-W41 HydrophobicContact CG1-CZ3 3.57Å; V33-K61 HydrophobicContact CG2-CD 3.92Å; V33-I65 HydrophobicContact CG1-CG1 4.36Å | ||
| 34 | S | 90.2 | Very high | 71.8 | Confident | 50 Ų | 50 | 76.5 Ų | 76.5 | 35% | 0.35 | 47% | 0.466 | S | S | . | . | trans | -79.3 | 153.9 | 177.1 | 90.1 | 0 | 0 | 0 | 0 | 111.8 | E36 Q37 V38 | S34-E36 VanDerWaalsContact C-N 3.27Å; S34-E36 VanDerWaalsContact CB-OE2 3.25Å; S34-E36 WeakPolarHBondContact CB-OE2 3.41Å; S34-E36 PolarHBondContact O-N 3.27Å; S34-E36 PolarHBondContact OG-N 2.83Å; S34-E36 PolarHBondContact OG-OE2 3.35Å; S34-Q37 WeakPolarHBondContact O-CB 2.86Å; S34-Q37 PolarHBondContact O-N 3.16Å; S34-Q37 VanDerWaalsContact O-N 3.11Å; S34-Q37 PolarHBondContact OG-N 2.85Å; S34-V38 PolarHBondContact O-N 3.24Å; S34-V38 VanDerWaalsContact O-N 3.1Å | ||
| 35 | M | 89 | Confident | 75 | Confident | 80 Ų | 80 | 69.9 Ų | 69.9 | 39% | 0.394 | 43% | 0.425 | S | S | . | . | H | α-helix | trans | -64.6 | -30.6 | 176.7 | -78.3 | -65.6 | -170.1 | 0 | 0 | 112.5 | Q37 V38 S39 F71 | M35-Q37 VanDerWaalsContact C-N 3.3Å; M35-Q37 PolarHBondContact O-N 3.46Å; M35-V38 PolarHBondContact O-N 3.17Å; M35-S39 WeakPolarHBondContact O-CB 3.5Å; M35-S39 PolarHBondContact O-N 3.25Å; M35-S39 PolarHBondContact O-OG 2.87Å; M35-F71 HydrophobicContact CE-CE2 3.79Å; M35-F71 HydrophobicContact CE-CZ 3.73Å; M35-F71 HydrophobicContact SD-CE2 3.98Å; M35-F71 HydrophobicContact SD-CZ 3.8Å |
| 36 | E | 91.9 | Very high | 78.2 | Confident | 143 Ų | 143 | 66.7 Ų | 66.7 | 67% | 0.668 | 40% | 0.399 | S | S | * | . | H | α-helix | trans | -64.6 | -39 | 172.8 | -55 | 89.4 | -174.4 | 0 | 0 | 111 | S34 S39 Q40 | S34-E36 VanDerWaalsContact C-N 3.27Å; S34-E36 VanDerWaalsContact CB-OE2 3.25Å; S34-E36 WeakPolarHBondContact CB-OE2 3.41Å; S34-E36 PolarHBondContact O-N 3.27Å; S34-E36 PolarHBondContact OG-N 2.83Å; S34-E36 PolarHBondContact OG-OE2 3.35Å; E36-S39 PolarHBondContact O-N 3.14Å; E36-Q40 WeakPolarHBondContact O-CB 3.46Å; E36-Q40 PolarHBondContact O-N 2.63Å |
| 37 | Q | 93.3 | Very high | 81 | Confident | 79 Ų | 79 | 60.4 Ų | 60.4 | 37% | 0.369 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -65.5 | -43.2 | 178.2 | -167.7 | 178.6 | 29.4 | 0 | 0 | 111.7 | S34 M35 Q40 W41 | S34-Q37 WeakPolarHBondContact O-CB 2.86Å; S34-Q37 PolarHBondContact O-N 3.16Å; S34-Q37 VanDerWaalsContact O-N 3.11Å; S34-Q37 PolarHBondContact OG-N 2.85Å; M35-Q37 VanDerWaalsContact C-N 3.3Å; M35-Q37 PolarHBondContact O-N 3.46Å; Q37-Q40 PolarHBondContact O-N 3.36Å; Q37-W41 HydrophobicContact CG-CD2 4.23Å; Q37-W41 HydrophobicContact CG-CE3 4.32Å; Q37-W41 HydrophobicContact CG-CH2 3.55Å; Q37-W41 HydrophobicContact CG-CZ2 3.5Å; Q37-W41 VanDerWaalsContact CG-CZ2 3.5Å; Q37-W41 HydrophobicContact CG-CZ3 4.01Å; Q37-W41 PolarHBondContact O-N 3.29Å |
| 38 | V | 93.8 | Very high | 83.4 | Confident | 2 Ų | 2 | 62.6 Ų | 62.6 | 1% | 0.012 | 38% | 0.376 | C | S | . | . | H | α-helix | trans | -60 | -47.8 | 173.9 | 179.2 | 0 | 0 | 0 | 0 | 110.4 | V33 S34 M35 Q40 W41 I42 I65 L68 | V33-V38 HydrophobicContact CG1-CG2 3.59Å; S34-V38 PolarHBondContact O-N 3.24Å; S34-V38 VanDerWaalsContact O-N 3.1Å; M35-V38 PolarHBondContact O-N 3.17Å; V38-Q40 VanDerWaalsContact C-N 3.3Å; V38-Q40 PolarHBondContact O-N 3.12Å; V38-W41 PolarHBondContact O-N 3.22Å; V38-I42 HydrophobicContact CG1-CD1 3.88Å; V38-I42 HydrophobicContact CG1-CG1 4.42Å; V38-I42 WeakPolarHBondContact O-CG1 3.29Å; V38-I42 PolarHBondContact O-N 2.65Å; V38-I65 HydrophobicContact CG1-CG2 4.02Å; V38-I65 HydrophobicContact CG2-CD1 3.9Å; V38-I65 HydrophobicContact CG2-CG1 4.02Å; V38-I65 HydrophobicContact CG2-CG2 3.84Å; V38-L68 HydrophobicContact CG1-CD1 4.23Å |
| 39 | S | 93.9 | Very high | 85.7 | Confident | 61 Ų | 61 | 65.4 Ų | 65.4 | 43% | 0.427 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -58.9 | -42.6 | 178.7 | -60.3 | 0 | 0 | 0 | 0 | 111.6 | M35 E36 I42 Q43 | M35-S39 WeakPolarHBondContact O-CB 3.5Å; M35-S39 PolarHBondContact O-N 3.25Å; M35-S39 PolarHBondContact O-OG 2.87Å; E36-S39 PolarHBondContact O-N 3.14Å; S39-I42 PolarHBondContact O-N 2.76Å; S39-Q43 WeakPolarHBondContact O-CG 3.48Å; S39-Q43 PolarHBondContact O-N 2.85Å |
| 40 | Q | 95.3 | Very high | 88 | Confident | 109 Ų | 109 | 67 Ų | 67 | 51% | 0.509 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -63.7 | -43.4 | 176.9 | -174.4 | 61.1 | 53.8 | 0 | 0 | 112.1 | E36 Q37 V38 I42 Q43 N44 | E36-Q40 WeakPolarHBondContact O-CB 3.46Å; E36-Q40 PolarHBondContact O-N 2.63Å; Q37-Q40 PolarHBondContact O-N 3.36Å; V38-Q40 VanDerWaalsContact C-N 3.3Å; V38-Q40 PolarHBondContact O-N 3.12Å; Q40-I42 VanDerWaalsContact C-N 3.34Å; Q40-I42 PolarHBondContact O-N 3.26Å; Q40-Q43 PolarHBondContact O-N 3.26Å; Q40-N44 PolarHBondContact NE2-OD1 3.48Å; Q40-N44 WeakPolarHBondContact O-CB 3.48Å; Q40-N44 PolarHBondContact O-N 2.94Å; Q40-N44 PolarHBondContact O-OD1 3.33Å |
| 41 | W | 96.5 | Very high | 90.1 | Very high | 29 Ų | 29 | 63 Ų | 63 | 11% | 0.11 | 36% | 0.361 | C | S | . | . | H | α-helix | trans | -63.1 | -41.2 | 175.5 | -68.8 | -36.9 | 0 | 0 | 0 | 111.9 | V33 Q37 V38 Q43 N44 L45 A54 E57 L58 K61 I65 | V33-W41 HydrophobicContact CG1-CH2 3.95Å; V33-W41 HydrophobicContact CG1-CZ3 3.57Å; Q37-W41 HydrophobicContact CG-CD2 4.23Å; Q37-W41 HydrophobicContact CG-CE3 4.32Å; Q37-W41 HydrophobicContact CG-CH2 3.55Å; Q37-W41 HydrophobicContact CG-CZ2 3.5Å; Q37-W41 VanDerWaalsContact CG-CZ2 3.5Å; Q37-W41 HydrophobicContact CG-CZ3 4.01Å; Q37-W41 PolarHBondContact O-N 3.29Å; V38-W41 PolarHBondContact O-N 3.22Å; W41-Q43 VanDerWaalsContact C-N 3.33Å; W41-Q43 PolarHBondContact O-N 3.39Å; W41-N44 WeakPolarHBondContact O-CB 3.49Å; W41-N44 PolarHBondContact O-N 3.49Å; W41-N44 VanDerWaalsContact O-N 3.17Å; W41-L45 PolarHBondContact O-N 3.45Å; W41-L45 VanDerWaalsContact O-N 3.11Å; W41-A54 WeakPolarHBondContact O-CB 3.46Å; W41-E57 HydrophobicContact CD2-CB 4.26Å; W41-E57 HydrophobicContact CZ2-CB 4.28Å; W41-L58 HydrophobicContact CB-CD1 3.92Å; W41-L58 HydrophobicContact CB-CD2 3.85Å; W41-L58 HydrophobicContact CB-CG 3.74Å; W41-L58 HydrophobicContact CE3-CD2 3.94Å; W41-L58 HydrophobicContact CG-CG 4.47Å; W41-K61 HydrophobicContact CH2-CD 3.41Å; W41-K61 VanDerWaalsContact CH2-CD 3.41Å; W41-K61 HydrophobicContact CZ2-CD 4.35Å; W41-K61 VanDerWaalsContact CZ2-NZ 3.33Å; W41-K61 HydrophobicContact CZ3-CD 3.57Å; W41-I65 HydrophobicContact CZ3-CD1 4.38Å |
| 42 | I | 96.2 | Very high | 91.8 | Very high | 4 Ų | 4 | 63.1 Ų | 63.1 | 2% | 0.021 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -64.1 | -39.5 | 177.5 | -66.1 | 174.2 | 0 | 0 | 0 | 111 | V38 S39 Q40 N44 L45 L58 L68 F71 L72 T75 T78 | V38-I42 HydrophobicContact CG1-CD1 3.88Å; V38-I42 HydrophobicContact CG1-CG1 4.42Å; V38-I42 WeakPolarHBondContact O-CG1 3.29Å; V38-I42 PolarHBondContact O-N 2.65Å; S39-I42 PolarHBondContact O-N 2.76Å; Q40-I42 VanDerWaalsContact C-N 3.34Å; Q40-I42 PolarHBondContact O-N 3.26Å; I42-N44 VanDerWaalsContact C-N 3.34Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 3.3Å; I42-L58 HydrophobicContact CG1-CD1 4.1Å; I42-L58 HydrophobicContact CG1-CD2 4.38Å; I42-L68 HydrophobicContact CD1-CD1 4.32Å; I42-F71 HydrophobicContact CD1-CB 3.58Å; I42-L72 HydrophobicContact CD1-CD2 4.48Å; I42-L72 HydrophobicContact CG1-CD2 4.24Å; I42-T75 HydrophobicContact CG2-CG2 3.72Å; I42-T78 HydrophobicContact CG2-CG2 4.15Å; I42-T78 WeakPolarHBondContact CG2-OG1 3.43Å |
| 43 | Q | 94.9 | Very high | 92.8 | Very high | 95 Ų | 95 | 63 Ų | 63 | 44% | 0.444 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -66.1 | -38.4 | 173.8 | -65.7 | -62.6 | -1.3 | 0 | 0 | 111.8 | S39 Q40 W41 L45 K46 | S39-Q43 WeakPolarHBondContact O-CG 3.48Å; S39-Q43 PolarHBondContact O-N 2.85Å; Q40-Q43 PolarHBondContact O-N 3.26Å; W41-Q43 VanDerWaalsContact C-N 3.33Å; W41-Q43 PolarHBondContact O-N 3.39Å; Q43-L45 PolarHBondContact O-N 3.19Å; Q43-K46 WeakPolarHBondContact O-CB 3.35Å; Q43-K46 PolarHBondContact O-N 2.81Å; Q43-K46 VanDerWaalsContact O-N 3.09Å |
| 44 | N | 96.4 | Very high | 93.4 | Very high | 37 Ų | 37 | 62.7 Ų | 62.7 | 20% | 0.198 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -63.9 | -22.2 | 176.9 | -72.6 | -8.3 | 0 | 0 | 0 | 113.4 | Q40 W41 I42 K46 S47 T50 Q51 A54 | Q40-N44 PolarHBondContact NE2-OD1 3.48Å; Q40-N44 WeakPolarHBondContact O-CB 3.48Å; Q40-N44 PolarHBondContact O-N 2.94Å; Q40-N44 PolarHBondContact O-OD1 3.33Å; W41-N44 WeakPolarHBondContact O-CB 3.49Å; W41-N44 PolarHBondContact O-N 3.49Å; W41-N44 VanDerWaalsContact O-N 3.17Å; I42-N44 VanDerWaalsContact C-N 3.34Å; N44-K46 PolarHBondContact O-N 3.44Å; N44-K46 VanDerWaalsContact O-N 3.16Å; N44-S47 PolarHBondContact O-N 3.19Å; N44-T50 WeakPolarHBondContact CA-OG1 3.48Å; N44-T50 WeakPolarHBondContact CB-OG1 3.4Å; N44-T50 CarbonylContact O-C 3.48Å; N44-T50 PolarHBondContact O-OG1 3.09Å; N44-T50 VanDerWaalsContact O-OG1 3.09Å; N44-Q51 WeakPolarHBondContact O-CA 3.19Å; N44-Q51 PolarHBondContact O-N 3.35Å; N44-A54 HydrophobicContact CB-CB 3.68Å |
| 45 | L | 95.7 | Very high | 93.7 | Very high | 0 Ų | 0 | 60.3 Ų | 60.3 | 0% | 0 | 32% | 0.322 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -61.1 | -20.5 | 172.7 | -69.3 | 177.5 | 0 | 0 | 0 | 113.5 | W41 I42 Q43 Q51 A54 L55 L58 L72 T78 L82 L112 | W41-L45 PolarHBondContact O-N 3.45Å; W41-L45 VanDerWaalsContact O-N 3.11Å; I42-L45 WeakPolarHBondContact O-CB 3.45Å; I42-L45 PolarHBondContact O-N 3.3Å; Q43-L45 PolarHBondContact O-N 3.19Å; L45-Q51 WeakPolarHBondContact O-CG 3.23Å; L45-Q51 PolarHBondContact O-NE2 3.04Å; L45-Q51 VanDerWaalsContact O-NE2 3.16Å; L45-A54 HydrophobicContact CD2-CB 3.79Å; L45-A54 HydrophobicContact CG-CB 4.17Å; L45-L55 HydrophobicContact CD2-CB 4.36Å; L45-L55 HydrophobicContact CD2-CD2 3.6Å; L45-L55 HydrophobicContact CD2-CG 3.66Å; L45-L58 HydrophobicContact CD1-CD1 3.6Å; L45-L58 HydrophobicContact CD2-CD1 4.15Å; L45-L58 HydrophobicContact CG-CD1 3.86Å; L45-L72 HydrophobicContact CD1-CD2 4.04Å; L45-T78 HydrophobicContact CD1-CG2 3.86Å; L45-L82 HydrophobicContact CD1-CD2 4.39Å; L45-L112 HydrophobicContact CD1-CD1 4.33Å |
| 46 | K | 92.5 | Very high | 94.1 | Very high | 73 Ų | 73 | 59.7 Ų | 59.7 | 32% | 0.317 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -94.5 | -2.7 | -175.1 | -53.8 | 175.7 | -165 | 169.9 | 0 | 113.4 | Q43 N44 T75 P76 T78 | Q43-K46 WeakPolarHBondContact O-CB 3.35Å; Q43-K46 PolarHBondContact O-N 2.81Å; Q43-K46 VanDerWaalsContact O-N 3.09Å; N44-K46 PolarHBondContact O-N 3.44Å; N44-K46 VanDerWaalsContact O-N 3.16Å; K46-T75 VanDerWaalsContact NZ-CG2 3.3Å; K46-P76 WeakPolarHBondContact CE-O 3.48Å; K46-P76 PolarHBondContact NZ-O 3.17Å; K46-T78 WeakPolarHBondContact CE-OG1 2.95Å |
| 47 | S | 91.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 55.4 Ų | 55.4 | 43% | 0.427 | 30% | 0.3 | S | S | . | . | S | Bend | trans | -117.6 | 122.7 | -175.1 | -65.6 | 0 | 0 | 0 | 0 | 110.3 | N44 N49 T50 Q51 | N44-S47 PolarHBondContact O-N 3.19Å; S47-N49 PolarHBondContact O-N 3.49Å; S47-T50 WeakPolarHBondContact CB-OG1 3.39Å; S47-T50 PolarHBondContact O-N 3.18Å; S47-Q51 WeakPolarHBondContact O-CB 3.43Å; S47-Q51 PolarHBondContact O-N 3.44Å |
| 48 | D | 87 | Confident | 94.5 | Very high | 137 Ų | 137 | 51.7 Ų | 51.7 | 73% | 0.733 | 28% | 0.282 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.3 | -37.6 | -173.3 | -63.3 | -17.5 | 0 | 0 | 0 | 114 | ||
| 49 | N | 90.3 | Very high | 94.6 | Very high | 167 Ų | 167 | 51.8 Ų | 51.8 | 89% | 0.893 | 28% | 0.283 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -77.4 | -22.4 | -176.1 | -63.1 | -25.8 | 0 | 0 | 0 | 114 | S47 | S47-N49 PolarHBondContact O-N 3.49Š|
| 50 | T | 93.1 | Very high | 94.6 | Very high | 50 Ų | 50 | 54.9 Ų | 54.9 | 31% | 0.307 | 29% | 0.289 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -116 | -8.8 | -174.7 | 57.1 | 0 | 0 | 0 | 0 | 113.2 | N44 S47 D52 A53 A54 | N44-T50 WeakPolarHBondContact CA-OG1 3.48Å; N44-T50 WeakPolarHBondContact CB-OG1 3.4Å; N44-T50 CarbonylContact O-C 3.48Å; N44-T50 PolarHBondContact O-OG1 3.09Å; N44-T50 VanDerWaalsContact O-OG1 3.09Å; S47-T50 WeakPolarHBondContact CB-OG1 3.39Å; S47-T50 PolarHBondContact O-N 3.18Å; T50-D52 PolarHBondContact O-N 3.42Å; T50-A53 PolarHBondContact O-N 2.85Å; T50-A54 WeakPolarHBondContact O-CB 3.28Å; T50-A54 PolarHBondContact O-N 2.87Å |
| 51 | Q | 93.8 | Very high | 94.5 | Very high | 14 Ų | 14 | 52 Ų | 52 | 7% | 0.065 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -59.2 | -46.9 | -175.1 | -174.9 | 175.8 | 35.4 | 0 | 0 | 113.5 | N44 L45 S47 A53 A54 L55 E85 | N44-Q51 WeakPolarHBondContact O-CA 3.19Å; N44-Q51 PolarHBondContact O-N 3.35Å; L45-Q51 WeakPolarHBondContact O-CG 3.23Å; L45-Q51 PolarHBondContact O-NE2 3.04Å; L45-Q51 VanDerWaalsContact O-NE2 3.16Å; S47-Q51 WeakPolarHBondContact O-CB 3.43Å; S47-Q51 PolarHBondContact O-N 3.44Å; Q51-A53 PolarHBondContact O-N 3.14Å; Q51-A54 PolarHBondContact O-N 3.44Å; Q51-L55 HydrophobicContact CG-CD1 4.09Å; Q51-L55 HydrophobicContact CG-CG 4.35Å; Q51-L55 WeakPolarHBondContact O-CB 3.39Å; Q51-L55 VanDerWaalsContact O-CG 3.32Å; Q51-L55 WeakPolarHBondContact O-CG 3.29Å; Q51-L55 PolarHBondContact O-N 3.49Å; Q51-E85 PolarHBondContact NE2-OE1 3Å; Q51-E85 VanDerWaalsContact NE2-OE1 3.15Å; Q51-E85 PolarHBondContact OE1-OE1 3.23Å |
| 52 | D | 93.9 | Very high | 94.4 | Very high | 62 Ų | 62 | 52.1 Ų | 52.1 | 33% | 0.332 | 28% | 0.275 | S | S | . | . | H | α-helix | trans | -63 | -45.2 | -177.2 | -171.4 | 20.9 | 0 | 0 | 0 | 111.9 | T50 A54 L55 L56 | T50-D52 PolarHBondContact O-N 3.42Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact O-N 3.44Å; D52-L55 PolarHBondContact O-N 2.86Å; D52-L56 WeakPolarHBondContact O-CB 3.27Å; D52-L56 PolarHBondContact O-N 3.36Å |
| 53 | A | 95.2 | Very high | 94.2 | Very high | 63 Ų | 63 | 58.5 Ų | 58.5 | 52% | 0.521 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -63.3 | -41.1 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.8 | T50 Q51 L56 E57 | T50-A53 PolarHBondContact O-N 2.85Å; Q51-A53 PolarHBondContact O-N 3.14Å; A53-L56 PolarHBondContact O-N 3.11Å; A53-E57 WeakPolarHBondContact O-CG 3.37Å; A53-E57 PolarHBondContact O-N 3.28Å |
| 54 | A | 96.9 | Very high | 94 | Very high | 1 Ų | 1 | 56.8 Ų | 56.8 | 1% | 0.008 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.9 | -43.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | W41 N44 L45 T50 Q51 D52 L56 E57 L58 | W41-A54 WeakPolarHBondContact O-CB 3.46Å; N44-A54 HydrophobicContact CB-CB 3.68Å; L45-A54 HydrophobicContact CD2-CB 3.79Å; L45-A54 HydrophobicContact CG-CB 4.17Å; T50-A54 WeakPolarHBondContact O-CB 3.28Å; T50-A54 PolarHBondContact O-N 2.87Å; Q51-A54 PolarHBondContact O-N 3.44Å; D52-A54 VanDerWaalsContact C-N 3.34Å; D52-A54 PolarHBondContact O-N 3.44Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 2.96Å; A54-E57 PolarHBondContact O-N 3.39Å; A54-L58 WeakPolarHBondContact O-CB 3.36Å; A54-L58 WeakPolarHBondContact O-CG 3.16Å; A54-L58 PolarHBondContact O-N 3.48Å |
| 55 | L | 97.3 | Very high | 93.8 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -56.9 | -48 | 174.2 | -78.7 | 172.7 | 0 | 0 | 0 | 110.9 | L45 Q51 D52 S59 L82 E85 R105 N108 A109 L112 | L45-L55 HydrophobicContact CD2-CB 4.36Å; L45-L55 HydrophobicContact CD2-CD2 3.6Å; L45-L55 HydrophobicContact CD2-CG 3.66Å; Q51-L55 HydrophobicContact CG-CD1 4.09Å; Q51-L55 HydrophobicContact CG-CG 4.35Å; Q51-L55 WeakPolarHBondContact O-CB 3.39Å; Q51-L55 VanDerWaalsContact O-CG 3.32Å; Q51-L55 WeakPolarHBondContact O-CG 3.29Å; Q51-L55 PolarHBondContact O-N 3.49Å; D52-L55 PolarHBondContact O-N 2.86Å; L55-S59 WeakPolarHBondContact O-CB 3.3Å; L55-S59 PolarHBondContact O-N 3.42Å; L55-S59 PolarHBondContact O-OG 2.96Å; L55-L82 HydrophobicContact CD2-CD2 3.56Å; L55-E85 HydrophobicContact CD1-CG 3.98Å; L55-R105 HydrophobicContact CD1-CG 3.96Å; L55-N108 HydrophobicContact CB-CB 4.01Å; L55-A109 HydrophobicContact CD2-CB 3.79Å; L55-L112 HydrophobicContact CD2-CD1 3.99Å |
| 56 | L | 96.1 | Very high | 93.6 | Very high | 66 Ų | 66 | 58.2 Ų | 58.2 | 35% | 0.346 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -63.7 | -44.8 | -179.8 | -177.3 | 65.1 | 0 | 0 | 0 | 112.5 | D52 A53 A54 S59 K60 | D52-L56 WeakPolarHBondContact O-CB 3.27Å; D52-L56 PolarHBondContact O-N 3.36Å; A53-L56 PolarHBondContact O-N 3.11Å; A54-L56 VanDerWaalsContact C-N 3.33Å; A54-L56 PolarHBondContact O-N 2.96Å; L56-S59 PolarHBondContact O-OG 3.3Å; L56-K60 HydrophobicContact CD1-CD 4.43Å; L56-K60 HydrophobicContact CG-CD 4.35Å; L56-K60 WeakPolarHBondContact O-CB 3.5Å; L56-K60 VanDerWaalsContact O-CG 3.25Å; L56-K60 WeakPolarHBondContact O-CG 3.24Å; L56-K60 PolarHBondContact O-N 3.49Å; L56-K60 VanDerWaalsContact O-N 3.15Å |
| 57 | E | 96.2 | Very high | 93.6 | Very high | 54 Ų | 54 | 59 Ų | 59 | 25% | 0.252 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -71.5 | -42.8 | -177.4 | -72.7 | -56.5 | 121.7 | 0 | 0 | 112.3 | W41 A53 A54 K60 K61 | W41-E57 HydrophobicContact CD2-CB 4.26Å; W41-E57 HydrophobicContact CZ2-CB 4.28Å; A53-E57 WeakPolarHBondContact O-CG 3.37Å; A53-E57 PolarHBondContact O-N 3.28Å; A54-E57 PolarHBondContact O-N 3.39Å; E57-K60 IonicContact OE1-NZ 3.91Å; E57-K61 WeakPolarHBondContact O-CB 3.4Å; E57-K61 PolarHBondContact O-N 3.45Å; E57-K61 VanDerWaalsContact O-N 3.12Å; E57-K61 IonicContact OE2-NZ 3.52Å; E57-K61 PolarHBondContact OE2-NZ 2.84Å |
| 58 | L | 97 | Very high | 93.8 | Very high | 0 Ų | 0 | 56.3 Ų | 56.3 | 0% | 0 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -65.5 | -42.8 | 175.1 | -71.7 | 169.3 | 0 | 0 | 0 | 111.3 | W41 I42 L45 A54 K60 K61 R62 I65 L68 L112 | W41-L58 HydrophobicContact CB-CD1 3.92Å; W41-L58 HydrophobicContact CB-CD2 3.85Å; W41-L58 HydrophobicContact CB-CG 3.74Å; W41-L58 HydrophobicContact CE3-CD2 3.94Å; W41-L58 HydrophobicContact CG-CG 4.47Å; I42-L58 HydrophobicContact CG1-CD1 4.1Å; I42-L58 HydrophobicContact CG1-CD2 4.38Å; L45-L58 HydrophobicContact CD1-CD1 3.6Å; L45-L58 HydrophobicContact CD2-CD1 4.15Å; L45-L58 HydrophobicContact CG-CD1 3.86Å; A54-L58 WeakPolarHBondContact O-CB 3.36Å; A54-L58 WeakPolarHBondContact O-CG 3.16Å; A54-L58 PolarHBondContact O-N 3.48Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.07Å; L58-K61 PolarHBondContact O-N 3.49Å; L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 PolarHBondContact O-N 3.23Å; L58-I65 HydrophobicContact CD2-CD1 4.2Å; L58-L68 HydrophobicContact CD2-CD1 4.02Å; L58-L112 HydrophobicContact CB-CD1 3.99Å; L58-L112 HydrophobicContact CB-CD2 3.81Å; L58-L112 HydrophobicContact CD1-CD1 4.37Å |
| 59 | S | 95.9 | Very high | 94.3 | Very high | 5 Ų | 5 | 50 Ų | 50 | 4% | 0.035 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -64.5 | -36.1 | -178.7 | 76.8 | 0 | 0 | 0 | 0 | 112.1 | L55 L56 R62 N108 | L55-S59 WeakPolarHBondContact O-CB 3.3Å; L55-S59 PolarHBondContact O-N 3.42Å; L55-S59 PolarHBondContact O-OG 2.96Å; L56-S59 PolarHBondContact O-OG 3.3Å; S59-R62 VanDerWaalsContact O-CD 3.32Å; S59-R62 WeakPolarHBondContact O-CD 3.24Å; S59-R62 WeakPolarHBondContact O-CG 3.35Å; S59-R62 PolarHBondContact O-NH1 3.21Å; S59-N108 PolarHBondContact OG-OD1 2.96Å |
| 60 | K | 95 | Very high | 94.6 | Very high | 126 Ų | 126 | 43.2 Ų | 43.2 | 55% | 0.548 | 23% | 0.232 | S | C | . | . | H | α-helix | trans | -68.6 | -41.2 | 174.9 | -76.7 | 173.6 | -176.1 | 167.3 | 0 | 112.8 | L56 E57 L58 | L56-K60 HydrophobicContact CD1-CD 4.43Å; L56-K60 HydrophobicContact CG-CD 4.35Å; L56-K60 WeakPolarHBondContact O-CB 3.5Å; L56-K60 VanDerWaalsContact O-CG 3.25Å; L56-K60 WeakPolarHBondContact O-CG 3.24Å; L56-K60 PolarHBondContact O-N 3.49Å; L56-K60 VanDerWaalsContact O-N 3.15Å; E57-K60 IonicContact OE1-NZ 3.91Å; L58-K60 VanDerWaalsContact C-N 3.31Å; L58-K60 PolarHBondContact O-N 3.07Å |
| 61 | K | 93.6 | Very high | 94.8 | Very high | 49 Ų | 49 | 44.3 Ų | 44.3 | 21% | 0.213 | 23% | 0.232 | C | C | . | . | H | α-helix | trans | -92.6 | 2.5 | -173.7 | -70.4 | 169.7 | 173.9 | 135.1 | 0 | 113.8 | V33 W41 E57 L58 E63 V64 I65 | V33-K61 HydrophobicContact CG2-CD 3.92Å; W41-K61 HydrophobicContact CH2-CD 3.41Å; W41-K61 VanDerWaalsContact CH2-CD 3.41Å; W41-K61 HydrophobicContact CZ2-CD 4.35Å; W41-K61 VanDerWaalsContact CZ2-NZ 3.33Å; W41-K61 HydrophobicContact CZ3-CD 3.57Å; E57-K61 WeakPolarHBondContact O-CB 3.4Å; E57-K61 PolarHBondContact O-N 3.45Å; E57-K61 VanDerWaalsContact O-N 3.12Å; E57-K61 IonicContact OE2-NZ 3.52Å; E57-K61 PolarHBondContact OE2-NZ 2.84Å; L58-K61 PolarHBondContact O-N 3.49Å; K61-E63 PolarHBondContact O-N 2.77Å; K61-V64 WeakPolarHBondContact O-CA 3.42Å; K61-V64 WeakPolarHBondContact O-CB 3.36Å; K61-V64 PolarHBondContact O-N 3.38Å; K61-I65 HydrophobicContact CB-CD1 3.7Å; K61-I65 HydrophobicContact CB-CG1 4.14Å; K61-I65 WeakPolarHBondContact O-CG1 3.33Å; K61-I65 PolarHBondContact O-N 3.29Å; K61-I65 VanDerWaalsContact O-N 3.07Å |
| 62 | R | 93.9 | Very high | 95 | Very high | 30 Ų | 30 | 43.6 Ų | 43.6 | 11% | 0.113 | 23% | 0.229 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -55.5 | -28.3 | -174 | 75.8 | -173.6 | -178.2 | -98.2 | -9.8 | 115.6 | A10 L58 S59 L68 | A10-R62 PolarHBondContact O-NH2 3.39Å; L58-R62 WeakPolarHBondContact O-CB 3.32Å; L58-R62 PolarHBondContact O-N 3.23Å; S59-R62 VanDerWaalsContact O-CD 3.32Å; S59-R62 WeakPolarHBondContact O-CD 3.24Å; S59-R62 WeakPolarHBondContact O-CG 3.35Å; S59-R62 PolarHBondContact O-NH1 3.21Å; R62-L68 HydrophobicContact CB-CD2 3.77Å |
| 63 | E | 91.7 | Very high | 95.2 | Very high | 138 Ų | 138 | 42.9 Ų | 42.9 | 65% | 0.645 | 22% | 0.221 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -85.7 | -18.5 | 178.8 | -64.8 | 175.8 | -164.3 | 0 | 0 | 112.3 | K61 | K61-E63 PolarHBondContact O-N 2.77Š|
| 64 | V | 91.7 | Very high | 95.2 | Very high | 59 Ų | 59 | 44.9 Ų | 44.9 | 36% | 0.358 | 22% | 0.223 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -96.3 | -23.2 | -176.1 | -178.4 | 0 | 0 | 0 | 0 | 111.6 | A30 K61 P66 | A30-V64 WeakPolarHBondContact O-CG1 3.14Å; K61-V64 WeakPolarHBondContact O-CA 3.42Å; K61-V64 WeakPolarHBondContact O-CB 3.36Å; K61-V64 PolarHBondContact O-N 3.38Å; V64-P66 VanDerWaalsContact O-CD 3.27Å; V64-P66 WeakPolarHBondContact O-CD 3.49Å |
| 65 | I | 92.2 | Very high | 95.2 | Very high | 6 Ų | 6 | 46.1 Ų | 46.1 | 3% | 0.031 | 23% | 0.231 | C | C | . | . | S | Bend | trans | -92.3 | 108.4 | 179.9 | -59.5 | 163.6 | 0 | 0 | 0 | 109.1 | V33 V38 W41 L58 K61 L68 | V33-I65 HydrophobicContact CG1-CG1 4.36Å; V38-I65 HydrophobicContact CG1-CG2 4.02Å; V38-I65 HydrophobicContact CG2-CD1 3.9Å; V38-I65 HydrophobicContact CG2-CG1 4.02Å; V38-I65 HydrophobicContact CG2-CG2 3.84Å; W41-I65 HydrophobicContact CZ3-CD1 4.38Å; L58-I65 HydrophobicContact CD2-CD1 4.2Å; K61-I65 HydrophobicContact CB-CD1 3.7Å; K61-I65 HydrophobicContact CB-CG1 4.14Å; K61-I65 WeakPolarHBondContact O-CG1 3.33Å; K61-I65 PolarHBondContact O-N 3.29Å; K61-I65 VanDerWaalsContact O-N 3.07Å; I65-L68 HydrophobicContact CB-CB 4.09Å; I65-L68 HydrophobicContact CD1-CD2 4.36Å; I65-L68 HydrophobicContact CG2-CB 3.88Å; I65-L68 HydrophobicContact CG2-CD1 4.21Å; I65-L68 PolarHBondContact O-N 2.97Å |
| 66 | P | 90.5 | Very high | 95.1 | Very high | 62 Ų | 62 | 51.4 Ų | 51.4 | 40% | 0.403 | 27% | 0.265 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.4 | 142.3 | 174.9 | -20.9 | 32.6 | 0 | 0 | 0 | 110.9 | P29 V64 L68 | P29-P66 HydrophobicContact CB-CG 4.21Å; P29-P66 HydrophobicContact CG-CG 4.43Å; V64-P66 VanDerWaalsContact O-CD 3.27Å; V64-P66 WeakPolarHBondContact O-CD 3.49Å; P66-L68 PolarHBondContact O-N 2.85Å |
| 67 | D | 92.7 | Very high | 95.1 | Very high | 89 Ų | 89 | 50.3 Ų | 50.3 | 48% | 0.476 | 27% | 0.27 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 53.1 | 23.3 | 176 | -56.9 | -35.2 | 0 | 0 | 0 | 114.9 | A69 V70 F71 H119 | D67-A69 PolarHBondContact O-N 3.41Å; D67-A69 VanDerWaalsContact O-N 3.1Å; D67-V70 HydrophobicContact CB-CB 4.26Å; D67-V70 HydrophobicContact CB-CG2 4.05Å; D67-V70 WeakPolarHBondContact O-CA 3.43Å; D67-V70 WeakPolarHBondContact O-CB 3.44Å; D67-V70 PolarHBondContact O-N 3.29Å; D67-F71 HydrophobicContact CB-CE2 4.32Å; D67-F71 VanDerWaalsContact O-CD2 3.26Å; D67-F71 WeakPolarHBondContact O-CD2 2.97Å; D67-F71 PolarHBondContact O-N 3.2Å; D67-H119 IonicContact OD1-NE2 3.84Å |
| 68 | L | 96.1 | Very high | 95.1 | Very high | 4 Ų | 4 | 47.7 Ų | 47.7 | 2% | 0.021 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -51.7 | -39.6 | 178 | 177.6 | 59.7 | 0 | 0 | 0 | 111.7 | V38 I42 L58 R62 I65 P66 V70 F71 L72 L112 | V38-L68 HydrophobicContact CG1-CD1 4.23Å; I42-L68 HydrophobicContact CD1-CD1 4.32Å; L58-L68 HydrophobicContact CD2-CD1 4.02Å; R62-L68 HydrophobicContact CB-CD2 3.77Å; I65-L68 HydrophobicContact CB-CB 4.09Å; I65-L68 HydrophobicContact CD1-CD2 4.36Å; I65-L68 HydrophobicContact CG2-CB 3.88Å; I65-L68 HydrophobicContact CG2-CD1 4.21Å; I65-L68 PolarHBondContact O-N 2.97Å; P66-L68 PolarHBondContact O-N 2.85Å; L68-V70 VanDerWaalsContact C-N 3.27Å; L68-V70 PolarHBondContact O-N 3.14Å; L68-F71 PolarHBondContact O-N 3.49Å; L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CD1-CD2 4.36Å; L68-L72 HydrophobicContact CD1-CG 3.94Å; L68-L72 HydrophobicContact CD2-CD1 4.38Å; L68-L72 HydrophobicContact CG-CD1 3.84Å; L68-L72 HydrophobicContact CG-CG 4.08Å; L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.24Å; L68-L112 HydrophobicContact CD2-CD2 4.22Å |
| 69 | A | 97.2 | Very high | 95.2 | Very high | 4 Ų | 4 | 48.8 Ų | 48.8 | 3% | 0.033 | 26% | 0.264 | C | S | . | . | H | α-helix | trans | -55.7 | -41.7 | 176.1 | 0 | 0 | 0 | 0 | 0 | 112.6 | D67 W73 C115 M116 H119 | D67-A69 PolarHBondContact O-N 3.41Å; D67-A69 VanDerWaalsContact O-N 3.1Å; A69-W73 VanDerWaalsContact O-CB 3.31Å; A69-W73 WeakPolarHBondContact O-CB 3.38Å; A69-W73 PolarHBondContact O-N 2.9Å; A69-C115 HydrophobicContact CB-CB 4.45Å; A69-M116 HydrophobicContact CB-CG 4.26Å; A69-H119 HydrophobicContact CB-CB 3.4Å |
| 70 | V | 97.5 | Very high | 95.2 | Very high | 26 Ų | 26 | 54.3 Ų | 54.3 | 16% | 0.158 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -67.7 | -44.5 | 179.4 | -175.8 | 0 | 0 | 0 | 0 | 110.3 | D67 L68 W73 N74 H119 Q121 T122 | D67-V70 HydrophobicContact CB-CB 4.26Å; D67-V70 HydrophobicContact CB-CG2 4.05Å; D67-V70 WeakPolarHBondContact O-CA 3.43Å; D67-V70 WeakPolarHBondContact O-CB 3.44Å; D67-V70 PolarHBondContact O-N 3.29Å; L68-V70 VanDerWaalsContact C-N 3.27Å; L68-V70 PolarHBondContact O-N 3.14Å; V70-W73 PolarHBondContact O-N 3.46Å; V70-N74 WeakPolarHBondContact CG1-ND2 3.17Å; V70-N74 VanDerWaalsContact O-CB 3.32Å; V70-N74 WeakPolarHBondContact O-CB 3.41Å; V70-N74 PolarHBondContact O-N 3.44Å; V70-N74 PolarHBondContact O-ND2 3.35Å; V70-H119 WeakPolarHBondContact CG2-CE1 3.47Å; V70-Q121 HydrophobicContact CG2-CB 4.35Å; V70-T122 HydrophobicContact CG2-CG2 4.47Å |
| 71 | F | 96.4 | Very high | 95.3 | Very high | 72 Ų | 72 | 48.7 Ų | 48.7 | 32% | 0.316 | 27% | 0.268 | S | S | . | . | H | α-helix | trans | -63.4 | -42.8 | 176.4 | -67.4 | -68.7 | 0 | 0 | 0 | 112.4 | M35 I42 D67 L68 W73 T75 | M35-F71 HydrophobicContact CE-CE2 3.79Å; M35-F71 HydrophobicContact CE-CZ 3.73Å; M35-F71 HydrophobicContact SD-CE2 3.98Å; M35-F71 HydrophobicContact SD-CZ 3.8Å; I42-F71 HydrophobicContact CD1-CB 3.58Å; D67-F71 HydrophobicContact CB-CE2 4.32Å; D67-F71 VanDerWaalsContact O-CD2 3.26Å; D67-F71 WeakPolarHBondContact O-CD2 2.97Å; D67-F71 PolarHBondContact O-N 3.2Å; L68-F71 PolarHBondContact O-N 3.49Å; F71-W73 VanDerWaalsContact C-N 3.34Å; F71-T75 WeakPolarHBondContact O-CB 3.37Å; F71-T75 PolarHBondContact O-N 2.95Å; F71-T75 VanDerWaalsContact O-N 3.12Å; F71-T75 PolarHBondContact O-OG1 2.95Å |
| 72 | L | 97.6 | Very high | 95.5 | Very high | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -62.8 | -41.5 | 177 | -70.9 | 171.8 | 0 | 0 | 0 | 111.7 | I42 L45 L68 T78 L112 M116 | I42-L72 HydrophobicContact CD1-CD2 4.48Å; I42-L72 HydrophobicContact CG1-CD2 4.24Å; L45-L72 HydrophobicContact CD1-CD2 4.04Å; L68-L72 HydrophobicContact CD1-CD1 4.22Å; L68-L72 HydrophobicContact CD1-CD2 4.36Å; L68-L72 HydrophobicContact CD1-CG 3.94Å; L68-L72 HydrophobicContact CD2-CD1 4.38Å; L68-L72 HydrophobicContact CG-CD1 3.84Å; L68-L72 HydrophobicContact CG-CG 4.08Å; L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 VanDerWaalsContact O-CG 3.24Å; L68-L72 WeakPolarHBondContact O-CG 3.37Å; L68-L72 PolarHBondContact O-N 3.24Å; L72-T78 HydrophobicContact CB-CG2 4.33Å; L72-T78 HydrophobicContact CD2-CG2 3.74Å; L72-T78 VanDerWaalsContact O-CB 3.29Å; L72-T78 WeakPolarHBondContact O-CB 3.48Å; L72-T78 WeakPolarHBondContact O-CG2 3.37Å; L72-L112 HydrophobicContact CD1-CB 3.9Å; L72-L112 HydrophobicContact CD1-CD2 4.2Å; L72-L112 HydrophobicContact CD1-CG 4.48Å; L72-L112 HydrophobicContact CD2-CD1 4.46Å; L72-M116 HydrophobicContact CB-CG 4.22Å; L72-M116 HydrophobicContact CB-SD 3.74Å; L72-M116 HydrophobicContact CD1-CG 4.44Å |
| 73 | W | 97.9 | Very high | 95.7 | Very high | 46 Ų | 46 | 46.1 Ų | 46.1 | 17% | 0.174 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -72.5 | -48.1 | -178.3 | -171.4 | -93.3 | 0 | 0 | 0 | 112.5 | A69 V70 F71 T75 V79 M116 T122 Q125 F126 A129 I131 | A69-W73 VanDerWaalsContact O-CB 3.31Å; A69-W73 WeakPolarHBondContact O-CB 3.38Å; A69-W73 PolarHBondContact O-N 2.9Å; V70-W73 PolarHBondContact O-N 3.46Å; F71-W73 VanDerWaalsContact C-N 3.34Å; W73-T75 PolarHBondContact O-N 3.2Å; W73-V79 HydrophobicContact CD2-CG2 4.37Å; W73-V79 HydrophobicContact CE3-CG2 3.85Å; W73-V79 HydrophobicContact CZ3-CG1 4.37Å; W73-V79 HydrophobicContact CZ3-CG2 4.18Å; W73-M116 HydrophobicContact CB-SD 4.23Å; W73-M116 HydrophobicContact CE3-SD 3.8Å; W73-T122 HydrophobicContact CB-CG2 3.49Å; W73-T122 VanDerWaalsContact CB-CG2 3.49Å; W73-T122 HydrophobicContact CD2-CG2 4.49Å; W73-T122 HydrophobicContact CG-CG2 3.78Å; W73-Q125 VanDerWaalsContact CD1-OE1 3.27Å; W73-Q125 HydrophobicContact CH2-CB 3.94Å; W73-Q125 WeakPolarHBondContact CH2-O 3.45Å; W73-Q125 HydrophobicContact CZ2-CB 3.2Å; W73-Q125 HydrophobicContact CZ2-CG 4.4Å; W73-Q125 VanDerWaalsContact NE1-CD 3.32Å; W73-F126 HydrophobicContact CH2-CB 4.3Å; W73-F126 HydrophobicContact CZ3-CB 3.89Å; W73-F126 AromaticContact CZ3-CD2 3.92Å; W73-F126 HydrophobicContact CZ3-CD2 3.92Å; W73-F126 HydrophobicContact CZ3-CG 4.37Å; W73-A129 HydrophobicContact CH2-CB 4.21Å; W73-I131 HydrophobicContact CH2-CD1 3.84Å; W73-I131 HydrophobicContact CZ3-CD1 3.59Å |
| 74 | N | 96.7 | Very high | 96 | Very high | 105 Ų | 105 | 45 Ų | 45 | 56% | 0.561 | 26% | 0.256 | S | S | * | . | H | α-helix | trans | -81.4 | -15.1 | -172.6 | -70 | -29.4 | 0 | 0 | 0 | 113.7 | V70 P76 | V70-N74 WeakPolarHBondContact CG1-ND2 3.17Å; V70-N74 VanDerWaalsContact O-CB 3.32Å; V70-N74 WeakPolarHBondContact O-CB 3.41Å; V70-N74 PolarHBondContact O-N 3.44Å; V70-N74 PolarHBondContact O-ND2 3.35Å; N74-P76 VanDerWaalsContact O-CD 3.29Å; N74-P76 WeakPolarHBondContact O-CD 3.47Å |
| 75 | T | 96.6 | Very high | 96.2 | Very high | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.172 | 24% | 0.244 | C | C | . | . | S | Bend | trans | -77.8 | 117.3 | 175.5 | -61 | 0 | 0 | 0 | 0 | 110.2 | I42 K46 F71 W73 G77 T78 | I42-T75 HydrophobicContact CG2-CG2 3.72Å; K46-T75 VanDerWaalsContact NZ-CG2 3.3Å; F71-T75 WeakPolarHBondContact O-CB 3.37Å; F71-T75 PolarHBondContact O-N 2.95Å; F71-T75 VanDerWaalsContact O-N 3.12Å; F71-T75 PolarHBondContact O-OG1 2.95Å; W73-T75 PolarHBondContact O-N 3.2Å; T75-G77 PolarHBondContact O-N 3.17Å; T75-T78 WeakPolarHBondContact CB-OG1 3.45Å; T75-T78 WeakPolarHBondContact CG2-OG1 3.46Å; T75-T78 WeakPolarHBondContact O-CB 3.3Å; T75-T78 PolarHBondContact O-N 3.05Å; T75-T78 PolarHBondContact O-OG1 3.07Å |
| 76 | P | 95.1 | Very high | 96.5 | Very high | 110 Ų | 110 | 42.8 Ų | 42.8 | 71% | 0.714 | 24% | 0.242 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.1 | 134.9 | -175.7 | -25.2 | 35.1 | 0 | 0 | 0 | 112.5 | K46 N74 T78 | K46-P76 WeakPolarHBondContact CE-O 3.48Å; K46-P76 PolarHBondContact NZ-O 3.17Å; N74-P76 VanDerWaalsContact O-CD 3.29Å; N74-P76 WeakPolarHBondContact O-CD 3.47Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.33Å |
| 77 | G | 95.6 | Very high | 96.9 | Very high | 43 Ų | 43 | 42.5 Ų | 42.5 | 44% | 0.443 | 24% | 0.239 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 83.3 | -11.7 | 179.2 | 0 | 0 | 0 | 0 | 0 | 115.2 | T75 M80 A81 | T75-G77 PolarHBondContact O-N 3.17Å; G77-M80 PolarHBondContact O-N 3.22Å; G77-A81 WeakPolarHBondContact O-CB 3.4Å; G77-A81 PolarHBondContact O-N 2.9Å |
| 78 | T | 97.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -68 | -50.5 | -178.3 | -61.7 | 0 | 0 | 0 | 0 | 112.2 | I42 L45 K46 L72 T75 P76 M80 A81 L82 | I42-T78 HydrophobicContact CG2-CG2 4.15Å; I42-T78 WeakPolarHBondContact CG2-OG1 3.43Å; L45-T78 HydrophobicContact CD1-CG2 3.86Å; K46-T78 WeakPolarHBondContact CE-OG1 2.95Å; L72-T78 HydrophobicContact CB-CG2 4.33Å; L72-T78 HydrophobicContact CD2-CG2 3.74Å; L72-T78 VanDerWaalsContact O-CB 3.29Å; L72-T78 WeakPolarHBondContact O-CB 3.48Å; L72-T78 WeakPolarHBondContact O-CG2 3.37Å; T75-T78 WeakPolarHBondContact CB-OG1 3.45Å; T75-T78 WeakPolarHBondContact CG2-OG1 3.46Å; T75-T78 WeakPolarHBondContact O-CB 3.3Å; T75-T78 PolarHBondContact O-N 3.05Å; T75-T78 PolarHBondContact O-OG1 3.07Å; P76-T78 VanDerWaalsContact C-N 3.28Å; P76-T78 PolarHBondContact O-N 3.33Å; T78-M80 VanDerWaalsContact C-N 3.25Å; T78-M80 PolarHBondContact O-N 2.89Å; T78-A81 PolarHBondContact O-N 3.43Å; T78-L82 WeakPolarHBondContact O-CG 3.47Å; T78-L82 PolarHBondContact O-N 2.86Å |
| 79 | V | 97.6 | Very high | 97.1 | Very high | 23 Ų | 23 | 41 Ų | 41 | 14% | 0.139 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -60.3 | -38.2 | 176.7 | -179.4 | 0 | 0 | 0 | 0 | 111.3 | W73 L82 L83 M113 M116 I131 | W73-V79 HydrophobicContact CD2-CG2 4.37Å; W73-V79 HydrophobicContact CE3-CG2 3.85Å; W73-V79 HydrophobicContact CZ3-CG1 4.37Å; W73-V79 HydrophobicContact CZ3-CG2 4.18Å; V79-L82 PolarHBondContact O-N 3.45Å; V79-L83 HydrophobicContact CG1-CD1 4.38Å; V79-L83 WeakPolarHBondContact O-CG 3.42Å; V79-L83 PolarHBondContact O-N 3.28Å; V79-M113 HydrophobicContact CG1-CE 4.44Å; V79-M116 HydrophobicContact CG2-CE 4.34Å; V79-M116 HydrophobicContact CG2-SD 4.01Å; V79-I131 HydrophobicContact CG1-CD1 3.69Å |
| 80 | M | 97 | Very high | 97.2 | Very high | 121 Ų | 121 | 43.8 Ų | 43.8 | 60% | 0.596 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -62.5 | -46.3 | 175.4 | -176.4 | 63.2 | 80.9 | 0 | 0 | 111.6 | G77 T78 L82 L83 L84 | G77-M80 PolarHBondContact O-N 3.22Å; T78-M80 VanDerWaalsContact C-N 3.25Å; T78-M80 PolarHBondContact O-N 2.89Å; M80-L82 VanDerWaalsContact C-N 3.29Å; M80-L82 PolarHBondContact O-N 3.47Å; M80-L83 PolarHBondContact O-N 3.25Å; M80-L83 VanDerWaalsContact O-N 3.13Å; M80-L84 HydrophobicContact CG-CD1 4.49Å; M80-L84 WeakPolarHBondContact O-CG 3.36Å; M80-L84 PolarHBondContact O-N 3.02Å |
| 81 | A | 97.4 | Very high | 97.2 | Very high | 8 Ų | 8 | 47.1 Ų | 47.1 | 7% | 0.066 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -59 | -40.4 | 176.6 | 0 | 0 | 0 | 0 | 0 | 112 | G77 T78 L84 E85 | G77-A81 WeakPolarHBondContact O-CB 3.4Å; G77-A81 PolarHBondContact O-N 2.9Å; T78-A81 PolarHBondContact O-N 3.43Å; A81-L84 PolarHBondContact O-N 3.44Å; A81-E85 PolarHBondContact O-N 3.02Å |
| 82 | L | 98 | Very high | 97.2 | Very high | 0 Ų | 0 | 44.4 Ų | 44.4 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -68.3 | -35.4 | 175.7 | -61.9 | 177.9 | 0 | 0 | 0 | 112.8 | L45 L55 T78 V79 M80 E85 I86 A109 L112 M113 M116 | L45-L82 HydrophobicContact CD1-CD2 4.39Å; L55-L82 HydrophobicContact CD2-CD2 3.56Å; T78-L82 WeakPolarHBondContact O-CG 3.47Å; T78-L82 PolarHBondContact O-N 2.86Å; V79-L82 PolarHBondContact O-N 3.45Å; M80-L82 VanDerWaalsContact C-N 3.29Å; M80-L82 PolarHBondContact O-N 3.47Å; L82-E85 WeakPolarHBondContact O-CB 3.43Å; L82-E85 PolarHBondContact O-N 3.42Å; L82-I86 PolarHBondContact O-N 3.4Å; L82-A109 HydrophobicContact CD2-CB 3.98Å; L82-L112 HydrophobicContact CD1-CB 4.04Å; L82-L112 HydrophobicContact CD2-CB 4.49Å; L82-L112 HydrophobicContact CD2-CD1 3.98Å; L82-M113 HydrophobicContact CB-CE 3.34Å; L82-M113 HydrophobicContact CB-SD 4.04Å; L82-M113 HydrophobicContact CD1-CE 4.38Å; L82-M113 HydrophobicContact CD1-SD 3.99Å; L82-M116 HydrophobicContact CD1-CE 3.82Å |
| 83 | L | 98 | Very high | 97.1 | Very high | 25 Ų | 25 | 46 Ų | 46 | 13% | 0.131 | 27% | 0.274 | C | S | . | . | H | α-helix | trans | -67.1 | -37.1 | 173.8 | -78.1 | 172.6 | 0 | 0 | 0 | 112 | V79 M80 E85 I86 V87 M113 I131 Y134 | V79-L83 HydrophobicContact CG1-CD1 4.38Å; V79-L83 WeakPolarHBondContact O-CG 3.42Å; V79-L83 PolarHBondContact O-N 3.28Å; M80-L83 PolarHBondContact O-N 3.25Å; M80-L83 VanDerWaalsContact O-N 3.13Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 2.79Å; L83-I86 HydrophobicContact CD2-CD1 4.46Å; L83-I86 WeakPolarHBondContact O-CB 3.49Å; L83-I86 PolarHBondContact O-N 3.08Å; L83-I86 VanDerWaalsContact O-N 3.11Å; L83-V87 PolarHBondContact O-N 3.21Å; L83-M113 HydrophobicContact CD2-CE 3.93Å; L83-M113 HydrophobicContact CG-CE 3.81Å; L83-I131 HydrophobicContact CD2-CG2 4.09Å; L83-Y134 HydrophobicContact CD2-CD1 4.34Å; L83-Y134 HydrophobicContact CD2-CD2 3.86Å; L83-Y134 HydrophobicContact CD2-CE2 4.27Å; L83-Y134 HydrophobicContact CD2-CG 3.89Å |
| 84 | L | 97.3 | Very high | 96.9 | Very high | 113 Ų | 113 | 48.8 Ų | 48.8 | 59% | 0.592 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -63.8 | -34.9 | 176.3 | -71.5 | 174 | 0 | 0 | 0 | 112.2 | M80 A81 I86 G88 | M80-L84 HydrophobicContact CG-CD1 4.49Å; M80-L84 WeakPolarHBondContact O-CG 3.36Å; M80-L84 PolarHBondContact O-N 3.02Å; A81-L84 PolarHBondContact O-N 3.44Å; L84-I86 VanDerWaalsContact C-N 3.31Å; L84-I86 PolarHBondContact O-N 3.23Å; L84-G88 WeakPolarHBondContact O-CA 3.08Å; L84-G88 PolarHBondContact O-N 3.48Å |
| 85 | E | 96.7 | Very high | 96.8 | Very high | 19 Ų | 19 | 48 Ų | 48 | 9% | 0.089 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -61 | -40 | 171.2 | -71.5 | -67.2 | 154.6 | 0 | 0 | 112.4 | Q51 L55 A81 L82 L83 R105 V106 A109 | Q51-E85 PolarHBondContact NE2-OE1 3Å; Q51-E85 VanDerWaalsContact NE2-OE1 3.15Å; Q51-E85 PolarHBondContact OE1-OE1 3.23Å; L55-E85 HydrophobicContact CD1-CG 3.98Å; A81-E85 PolarHBondContact O-N 3.02Å; L82-E85 WeakPolarHBondContact O-CB 3.43Å; L82-E85 PolarHBondContact O-N 3.42Å; L83-E85 VanDerWaalsContact C-N 3.29Å; L83-E85 PolarHBondContact O-N 2.79Å; E85-R105 VanDerWaalsContact CD-NE 3.32Å; E85-R105 IonicContact OE1-CZ 3Å; E85-R105 VanDerWaalsContact OE1-CZ 3.26Å; E85-R105 IonicContact OE1-NE 3.81Å; E85-R105 PolarHBondContact OE1-NE 3.4Å; E85-R105 IonicContact OE1-NH2 3.26Å; E85-R105 PolarHBondContact OE1-NH2 3.31Å; E85-R105 WeakPolarHBondContact OE2-CD 3.42Å; E85-R105 WeakPolarHBondContact OE2-CG 3.2Å; E85-R105 IonicContact OE2-CZ 2.88Å; E85-R105 IonicContact OE2-NE 3.94Å; E85-R105 PolarHBondContact OE2-NE 2.9Å; E85-R105 IonicContact OE2-NH2 2.69Å; E85-V106 WeakPolarHBondContact O-CG2 3.45Å; E85-A109 HydrophobicContact CB-CB 3.8Å; E85-A109 HydrophobicContact CG-CB 4.17Å |
| 86 | I | 98.1 | Very high | 96.7 | Very high | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 32% | 0.318 | C | S | . | . | H | α-helix | trans | -67.6 | -53.5 | 178.7 | -69.8 | 164.4 | 0 | 0 | 0 | 110.3 | L82 L83 L84 G88 V89 Y90 V106 M110 M113 Y134 L135 F138 | L82-I86 PolarHBondContact O-N 3.4Å; L83-I86 HydrophobicContact CD2-CD1 4.46Å; L83-I86 WeakPolarHBondContact O-CB 3.49Å; L83-I86 PolarHBondContact O-N 3.08Å; L83-I86 VanDerWaalsContact O-N 3.11Å; L84-I86 VanDerWaalsContact C-N 3.31Å; L84-I86 PolarHBondContact O-N 3.23Å; I86-G88 VanDerWaalsContact C-N 3.3Å; I86-G88 PolarHBondContact O-N 3.41Å; I86-V89 PolarHBondContact O-N 3.34Å; I86-Y90 HydrophobicContact CG2-CE1 4.06Å; I86-Y90 WeakPolarHBondContact O-CD1 3.39Å; I86-V106 HydrophobicContact CG1-CG2 4.1Å; I86-M110 HydrophobicContact CD1-CG 4.4Å; I86-M110 HydrophobicContact CG1-CG 4.29Å; I86-M113 HydrophobicContact CD1-CE 4.04Å; I86-M113 HydrophobicContact CD1-CG 4.28Å; I86-Y134 WeakPolarHBondContact CG2-O 3.47Å; I86-L135 HydrophobicContact CD1-CD2 3.74Å; I86-L135 HydrophobicContact CG1-CD2 4.25Å; I86-L135 HydrophobicContact CG2-CD2 4.25Å; I86-F138 HydrophobicContact CB-CE2 4.43Å; I86-F138 HydrophobicContact CB-CZ 4.39Å; I86-F138 HydrophobicContact CG1-CE2 4.43Å; I86-F138 HydrophobicContact CG2-CE2 3.73Å; I86-F138 HydrophobicContact CG2-CZ 3.74Å; I86-F138 WeakPolarHBondContact O-CZ 3.39Å |
| 87 | V | 98 | Very high | 96.8 | Very high | 56 Ų | 56 | 49.2 Ų | 49.2 | 34% | 0.339 | 31% | 0.308 | S | S | . | . | H | α-helix | trans | -68.6 | -31.8 | -176.8 | 178.2 | 0 | 0 | 0 | 0 | 111.5 | L83 V89 Y90 Y134 | L83-V87 PolarHBondContact O-N 3.21Å; V87-V89 PolarHBondContact O-N 3.3Å; V87-V89 VanDerWaalsContact O-N 3.12Å; V87-Y90 HydrophobicContact CB-CD2 4.41Å; V87-Y90 HydrophobicContact CB-CE2 4.3Å; V87-Y90 HydrophobicContact CG1-CD2 3.95Å; V87-Y90 HydrophobicContact CG1-CE2 4.12Å; V87-Y90 HydrophobicContact CG2-CE2 3.98Å; V87-Y90 WeakPolarHBondContact O-CB 3.33Å; V87-Y90 PolarHBondContact O-N 2.89Å; V87-Y134 HydrophobicContact CG2-CD1 3.87Å; V87-Y134 HydrophobicContact CG2-CE1 4.22Å |
| 88 | G | 96.9 | Very high | 96.9 | Very high | 52 Ų | 52 | 47.7 Ų | 47.7 | 54% | 0.536 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60.6 | -20.6 | 177 | 0 | 0 | 0 | 0 | 0 | 114.2 | L84 I86 | L84-G88 WeakPolarHBondContact O-CA 3.08Å; L84-G88 PolarHBondContact O-N 3.48Å; I86-G88 VanDerWaalsContact C-N 3.3Å; I86-G88 PolarHBondContact O-N 3.41Å |
| 89 | V | 97.3 | Very high | 96.9 | Very high | 9 Ų | 9 | 51 Ų | 51 | 6% | 0.055 | 31% | 0.31 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -15.6 | 176.9 | 170.3 | 0 | 0 | 0 | 0 | 113 | I86 V87 P91 S92 L98 V106 F138 | I86-V89 PolarHBondContact O-N 3.34Å; V87-V89 PolarHBondContact O-N 3.3Å; V87-V89 VanDerWaalsContact O-N 3.12Å; V89-P91 VanDerWaalsContact C-CD 3.45Å; V89-S92 WeakPolarHBondContact O-CB 3.36Å; V89-S92 PolarHBondContact O-N 2.85Å; V89-L98 HydrophobicContact CG1-CD1 3.54Å; V89-L98 HydrophobicContact CG1-CD2 4.35Å; V89-L98 HydrophobicContact CG2-CD1 4.5Å; V89-V106 HydrophobicContact CG2-CB 3.82Å; V89-V106 HydrophobicContact CG2-CG1 3.96Å; V89-V106 HydrophobicContact CG2-CG2 4.13Å; V89-F138 HydrophobicContact CB-CE1 4.24Å; V89-F138 HydrophobicContact CB-CZ 4.27Å; V89-F138 HydrophobicContact CG1-CE1 3.96Å; V89-F138 HydrophobicContact CG1-CZ 4.33Å |
| 90 | Y | 98.1 | Very high | 96.9 | Very high | 63 Ų | 63 | 52.7 Ų | 52.7 | 25% | 0.247 | 33% | 0.326 | C | S | . | . | G | 310 helix | trans | -55.2 | -41.5 | -176.7 | -69.2 | -1.2 | 0 | 0 | 0 | 114.6 | I86 V87 S92 I93 Y134 P137 F138 | I86-Y90 HydrophobicContact CG2-CE1 4.06Å; I86-Y90 WeakPolarHBondContact O-CD1 3.39Å; V87-Y90 HydrophobicContact CB-CD2 4.41Å; V87-Y90 HydrophobicContact CB-CE2 4.3Å; V87-Y90 HydrophobicContact CG1-CD2 3.95Å; V87-Y90 HydrophobicContact CG1-CE2 4.12Å; V87-Y90 HydrophobicContact CG2-CE2 3.98Å; V87-Y90 WeakPolarHBondContact O-CB 3.33Å; V87-Y90 PolarHBondContact O-N 2.89Å; Y90-S92 PolarHBondContact O-N 3.46Å; Y90-S92 VanDerWaalsContact O-N 3.1Å; Y90-I93 HydrophobicContact CD1-CD1 3.81Å; Y90-I93 HydrophobicContact CG-CD1 4.42Å; Y90-I93 WeakPolarHBondContact O-CB 3.3Å; Y90-I93 PolarHBondContact O-N 2.89Å; Y90-Y134 WeakPolarHBondContact OH-CA 3.44Å; Y90-Y134 PolarHBondContact OH-O 3.4Å; Y90-P137 HydrophobicContact CD1-CB 4.47Å; Y90-P137 HydrophobicContact CE1-CB 4.1Å; Y90-P137 HydrophobicContact CE1-CG 4.14Å; Y90-P137 HydrophobicContact CE2-CG 4.4Å; Y90-F138 AromaticContact CD1-CE1 3.78Å; Y90-F138 HydrophobicContact CD1-CE1 3.78Å; Y90-F138 HydrophobicContact CD1-CZ 4.35Å; Y90-F138 HydrophobicContact CE1-CD1 4.4Å; Y90-F138 AromaticContact CE1-CE1 3.74Å; Y90-F138 HydrophobicContact CE1-CE1 3.74Å; Y90-F138 HydrophobicContact CE1-CZ 4.05Å |
| 91 | P | 97.6 | Very high | 96.9 | Very high | 97 Ų | 97 | 52.7 Ų | 52.7 | 63% | 0.63 | 33% | 0.328 | S | S | * | . | G | 310 helix | trans | -60 | -23 | 177 | -24.8 | 36.3 | 0 | 0 | 0 | 113.8 | V89 | V89-P91 VanDerWaalsContact C-CD 3.45Š|
| 92 | S | 96.8 | Very high | 96.9 | Very high | 15 Ų | 15 | 55.7 Ų | 55.7 | 11% | 0.105 | 34% | 0.341 | C | S | . | . | G | 310 helix | trans | -90.3 | -0.2 | 178.9 | -60 | 0 | 0 | 0 | 0 | 114 | V89 Y90 P95 T97 L98 F148 | V89-S92 WeakPolarHBondContact O-CB 3.36Å; V89-S92 PolarHBondContact O-N 2.85Å; Y90-S92 PolarHBondContact O-N 3.46Å; Y90-S92 VanDerWaalsContact O-N 3.1Å; S92-P95 CarbonylContact C-O 3.41Å; S92-T97 PolarHBondContact O-N 3.13Å; S92-L98 PolarHBondContact O-N 3.23Å; S92-F148 WeakPolarHBondContact O-CZ 3.4Å |
| 93 | I | 96.3 | Very high | 96.9 | Very high | 33 Ų | 33 | 55.7 Ų | 55.7 | 17% | 0.169 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -77.5 | -44.8 | 177.3 | -68.1 | 174.5 | 0 | 0 | 0 | 111.3 | Y90 P95 P96 P137 F138 T141 | Y90-I93 HydrophobicContact CD1-CD1 3.81Å; Y90-I93 HydrophobicContact CG-CD1 4.42Å; Y90-I93 WeakPolarHBondContact O-CB 3.3Å; Y90-I93 PolarHBondContact O-N 2.89Å; I93-P95 CarbonylContact C-O 3.59Å; I93-P96 WeakPolarHBondContact O-CA 3.47Å; I93-P137 HydrophobicContact CD1-CB 3.9Å; I93-F138 HydrophobicContact CD1-CD1 3.64Å; I93-F138 HydrophobicContact CD1-CE1 3.84Å; I93-F138 HydrophobicContact CG1-CD1 4.39Å; I93-T141 HydrophobicContact CG1-CG2 4.42Å; I93-T141 HydrophobicContact CG2-CG2 3.77Å |
| 94 | S | 92.1 | Very high | 96.8 | Very high | 104 Ų | 104 | 57.2 Ų | 57.2 | 73% | 0.727 | 35% | 0.349 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -142.9 | 108.2 | -177 | -170 | 0 | 0 | 0 | 0 | 109.6 | ||
| 95 | P | 94.8 | Very high | 96.8 | Very high | 88 Ų | 88 | 55.1 Ų | 55.1 | 57% | 0.571 | 33% | 0.334 | S | S | * | . | T | Hydrogen-bonded Turn | cis | -66.5 | 153.8 | -0.4 | 29.4 | -35.5 | 0 | 0 | 0 | 112.7 | S92 I93 T97 | S92-P95 CarbonylContact C-O 3.41Å; I93-P95 CarbonylContact C-O 3.59Å; P95-T97 VanDerWaalsContact C-N 3.33Å; P95-T97 HydrophobicContact CB-CG2 4.43Å; P95-T97 HydrophobicContact CG-CG2 4.15Å; P95-T97 PolarHBondContact O-N 3.11Å; P95-T97 PolarHBondContact O-OG1 2.85Å |
| 96 | P | 95.7 | Very high | 96.9 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 53% | 0.532 | 33% | 0.329 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | 82.7 | -173.4 | 30.9 | -35.8 | 0 | 0 | 0 | 111.8 | I93 F148 | I93-P96 WeakPolarHBondContact O-CA 3.47Å; P96-F148 VanDerWaalsContact CA-CZ 3.5Å; P96-F148 HydrophobicContact CB-CE1 4.21Å; P96-F148 HydrophobicContact CB-CE2 3.71Å; P96-F148 HydrophobicContact CB-CZ 3.44Å; P96-F148 VanDerWaalsContact CB-CZ 3.44Å |
| 97 | T | 97.3 | Very high | 96.9 | Very high | 82 Ų | 82 | 54.2 Ų | 54.2 | 50% | 0.503 | 33% | 0.329 | S | S | . | . | trans | -109.1 | 9 | -176 | 54.6 | 0 | 0 | 0 | 0 | 113.2 | S92 P95 T99 | S92-T97 PolarHBondContact O-N 3.13Å; P95-T97 VanDerWaalsContact C-N 3.33Å; P95-T97 HydrophobicContact CB-CG2 4.43Å; P95-T97 HydrophobicContact CG-CG2 4.15Å; P95-T97 PolarHBondContact O-N 3.11Å; P95-T97 PolarHBondContact O-OG1 2.85Å; T97-T99 PolarHBondContact O-N 3.12Å | ||
| 98 | L | 97.4 | Very high | 96.9 | Very high | 11 Ų | 11 | 52.7 Ų | 52.7 | 6% | 0.058 | 32% | 0.319 | C | S | . | . | trans | -58.4 | 118.1 | -178.1 | -173.6 | 62.4 | 0 | 0 | 0 | 112.5 | V89 S92 Q102 P147 F148 L151 | V89-L98 HydrophobicContact CG1-CD1 3.54Å; V89-L98 HydrophobicContact CG1-CD2 4.35Å; V89-L98 HydrophobicContact CG2-CD1 4.5Å; S92-L98 PolarHBondContact O-N 3.23Å; L98-Q102 HydrophobicContact CD1-CB 3.58Å; L98-P147 HydrophobicContact CD2-CB 4.28Å; L98-P147 HydrophobicContact CG-CB 4.19Å; L98-F148 HydrophobicContact CB-CD2 4.24Å; L98-F148 HydrophobicContact CB-CE1 4.15Å; L98-F148 HydrophobicContact CB-CE2 3.53Å; L98-F148 HydrophobicContact CB-CZ 3.47Å; L98-F148 VanDerWaalsContact CB-CZ 3.47Å; L98-F148 HydrophobicContact CD2-CD1 4.45Å; L98-F148 HydrophobicContact CD2-CE1 4.4Å; L98-F148 HydrophobicContact CD2-CZ 4.47Å; L98-L151 HydrophobicContact CD2-CB 4.37Å; L98-L151 HydrophobicContact CD2-CD1 4.45Å; L98-L151 HydrophobicContact CD2-CD2 3.8Å; L98-L151 HydrophobicContact CD2-CG 4.45Å | ||
| 99 | T | 97.6 | Very high | 97 | Very high | 70 Ų | 70 | 50.2 Ų | 50.2 | 43% | 0.429 | 29% | 0.294 | S | S | . | . | trans | -80.1 | 160.8 | 176.1 | 65.7 | 0 | 0 | 0 | 0 | 112 | T97 L101 Q102 S103 | T97-T99 PolarHBondContact O-N 3.12Å; T99-L101 VanDerWaalsContact C-N 3.27Å; T99-L101 PolarHBondContact O-N 3.37Å; T99-Q102 PolarHBondContact O-N 2.93Å; T99-Q102 WeakPolarHBondContact OG1-CB 3.42Å; T99-Q102 VanDerWaalsContact OG1-CG 3.29Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.45Å; T99-Q102 PolarHBondContact OG1-N 3.35Å; T99-Q102 PolarHBondContact OG1-OE1 3.31Å; T99-S103 WeakPolarHBondContact O-CB 3.29Å; T99-S103 PolarHBondContact O-N 3.3Å | ||
| 100 | A | 97.3 | Very high | 97 | Very high | 58 Ų | 58 | 49.8 Ų | 49.8 | 48% | 0.479 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -36.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.5 | N104 P147 | A100-N104 WeakPolarHBondContact O-CB 3.33Å; A100-N104 VanDerWaalsContact O-CG 3.31Å; A100-N104 PolarHBondContact O-N 3.13Å; A100-N104 PolarHBondContact O-ND2 3.27Å; A100-P147 HydrophobicContact CB-CG 4.33Å |
| 101 | L | 96.2 | Very high | 97 | Very high | 122 Ų | 122 | 46.9 Ų | 46.9 | 64% | 0.639 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -64.7 | -50.2 | 178.1 | -179.1 | 63.8 | 0 | 0 | 0 | 111.2 | T99 S103 N104 R105 | T99-L101 VanDerWaalsContact C-N 3.27Å; T99-L101 PolarHBondContact O-N 3.37Å; L101-S103 PolarHBondContact O-N 3.4Å; L101-N104 PolarHBondContact O-N 3.19Å; L101-R105 PolarHBondContact O-N 3.26Å |
| 102 | Q | 97 | Very high | 97 | Very high | 70 Ų | 70 | 42.3 Ų | 42.3 | 33% | 0.327 | 25% | 0.25 | S | S | . | . | H | α-helix | trans | -60.6 | -45.5 | 177.7 | -73.1 | 168.6 | -52.8 | 0 | 0 | 111.8 | L98 T99 N104 R105 V106 | L98-Q102 HydrophobicContact CD1-CB 3.58Å; T99-Q102 PolarHBondContact O-N 2.93Å; T99-Q102 WeakPolarHBondContact OG1-CB 3.42Å; T99-Q102 VanDerWaalsContact OG1-CG 3.29Å; T99-Q102 WeakPolarHBondContact OG1-CG 3.45Å; T99-Q102 PolarHBondContact OG1-N 3.35Å; T99-Q102 PolarHBondContact OG1-OE1 3.31Å; Q102-N104 PolarHBondContact O-N 2.6Å; Q102-R105 PolarHBondContact O-N 3.05Å; Q102-V106 WeakPolarHBondContact O-CG1 3.45Å; Q102-V106 PolarHBondContact O-N 2.81Å |
| 103 | S | 97.9 | Very high | 97.1 | Very high | 1 Ų | 1 | 41.6 Ų | 41.6 | 1% | 0.007 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -58.8 | -46 | 176.1 | 175.4 | 0 | 0 | 0 | 0 | 111.7 | T99 L101 R105 V106 C107 P147 | T99-S103 WeakPolarHBondContact O-CB 3.29Å; T99-S103 PolarHBondContact O-N 3.3Å; L101-S103 PolarHBondContact O-N 3.4Å; S103-R105 PolarHBondContact O-N 3.21Å; S103-V106 WeakPolarHBondContact O-CG1 3.2Å; S103-C107 WeakPolarHBondContact O-CB 3.46Å; S103-C107 PolarHBondContact O-N 2.83Å; S103-C107 PolarHBondContact O-SG 3.29Å; S103-P147 PolarHBondContact OG-O 3.46Å |
| 104 | N | 97 | Very high | 97.2 | Very high | 56 Ų | 56 | 40.9 Ų | 40.9 | 30% | 0.299 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 177 | -77.2 | -48.4 | 0 | 0 | 0 | 112.5 | A100 L101 Q102 C107 N108 Y150 | A100-N104 WeakPolarHBondContact O-CB 3.33Å; A100-N104 VanDerWaalsContact O-CG 3.31Å; A100-N104 PolarHBondContact O-N 3.13Å; A100-N104 PolarHBondContact O-ND2 3.27Å; L101-N104 PolarHBondContact O-N 3.19Å; Q102-N104 PolarHBondContact O-N 2.6Å; N104-C107 PolarHBondContact O-N 3.35Å; N104-N108 PolarHBondContact O-N 3.19Å; N104-N108 PolarHBondContact O-ND2 3Å; N104-Y150 WeakPolarHBondContact OD1-CE1 3.39Å |
| 105 | R | 97.2 | Very high | 97.4 | Very high | 70 Ų | 70 | 36.9 Ų | 36.9 | 26% | 0.264 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -61.9 | -51.5 | -179.7 | -177.9 | 178 | 166.3 | 155.1 | -0.7 | 111.8 | L55 E85 L101 Q102 S103 C107 N108 A109 | L55-R105 HydrophobicContact CD1-CG 3.96Å; E85-R105 VanDerWaalsContact CD-NE 3.32Å; E85-R105 IonicContact OE1-CZ 3Å; E85-R105 VanDerWaalsContact OE1-CZ 3.26Å; E85-R105 IonicContact OE1-NE 3.81Å; E85-R105 PolarHBondContact OE1-NE 3.4Å; E85-R105 IonicContact OE1-NH2 3.26Å; E85-R105 PolarHBondContact OE1-NH2 3.31Å; E85-R105 WeakPolarHBondContact OE2-CD 3.42Å; E85-R105 WeakPolarHBondContact OE2-CG 3.2Å; E85-R105 IonicContact OE2-CZ 2.88Å; E85-R105 IonicContact OE2-NE 3.94Å; E85-R105 PolarHBondContact OE2-NE 2.9Å; E85-R105 IonicContact OE2-NH2 2.69Å; L101-R105 PolarHBondContact O-N 3.26Å; Q102-R105 PolarHBondContact O-N 3.05Å; S103-R105 PolarHBondContact O-N 3.21Å; R105-C107 VanDerWaalsContact C-N 3.31Å; R105-C107 PolarHBondContact O-N 3.04Å; R105-N108 WeakPolarHBondContact O-CB 3.48Å; R105-N108 PolarHBondContact O-N 3.31Å; R105-N108 VanDerWaalsContact O-N 3.15Å; R105-A109 PolarHBondContact O-N 3.24Å |
| 106 | V | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 32.7 Ų | 32.7 | 0% | 0 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -66.4 | -33.4 | 178.2 | 69.7 | 0 | 0 | 0 | 0 | 112.2 | E85 I86 V89 Q102 S103 N108 A109 M110 F138 L151 | E85-V106 WeakPolarHBondContact O-CG2 3.45Å; I86-V106 HydrophobicContact CG1-CG2 4.1Å; V89-V106 HydrophobicContact CG2-CB 3.82Å; V89-V106 HydrophobicContact CG2-CG1 3.96Å; V89-V106 HydrophobicContact CG2-CG2 4.13Å; Q102-V106 WeakPolarHBondContact O-CG1 3.45Å; Q102-V106 PolarHBondContact O-N 2.81Å; S103-V106 WeakPolarHBondContact O-CG1 3.2Å; V106-N108 VanDerWaalsContact C-N 3.32Å; V106-N108 PolarHBondContact O-N 3.03Å; V106-A109 WeakPolarHBondContact O-CB 3.45Å; V106-A109 PolarHBondContact O-N 3.12Å; V106-M110 HydrophobicContact CG1-CE 4.37Å; V106-M110 WeakPolarHBondContact O-CG 3.47Å; V106-M110 PolarHBondContact O-N 2.91Å; V106-F138 HydrophobicContact CG2-CE2 4.13Å; V106-F138 HydrophobicContact CG2-CZ 4.06Å; V106-L151 HydrophobicContact CG1-CD1 3.39Å |
| 107 | C | 98.2 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -66.2 | -33.1 | 174.3 | -72.2 | 0 | 0 | 0 | 0 | 112.6 | S103 N104 R105 M110 A111 Y150 T154 | S103-C107 WeakPolarHBondContact O-CB 3.46Å; S103-C107 PolarHBondContact O-N 2.83Å; S103-C107 PolarHBondContact O-SG 3.29Å; N104-C107 PolarHBondContact O-N 3.35Å; R105-C107 VanDerWaalsContact C-N 3.31Å; R105-C107 PolarHBondContact O-N 3.04Å; C107-M110 HydrophobicContact CB-CE 4.24Å; C107-M110 PolarHBondContact O-N 3.17Å; C107-M110 WeakPolarHBondContact SG-CE 3.48Å; C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 3.02Å; C107-Y150 HydrophobicContact CB-CD1 4.1Å; C107-Y150 HydrophobicContact CB-CE1 3.49Å; C107-Y150 VanDerWaalsContact CB-CE1 3.49Å; C107-Y150 VanDerWaalsContact SG-CD1 3.6Å; C107-T154 HydrophobicContact CB-CG2 4Å; C107-T154 PolarHBondContact SG-OG1 3.41Å; C107-T154 VanDerWaalsContact SG-OG1 3.38Å |
| 108 | N | 98 | Very high | 97.6 | Very high | 23 Ų | 23 | 28 Ų | 28 | 12% | 0.123 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63.4 | -42.2 | 170.7 | -72 | -35.6 | 0 | 0 | 0 | 111.3 | L55 S59 N104 R105 V106 A111 L112 | L55-N108 HydrophobicContact CB-CB 4.01Å; S59-N108 PolarHBondContact OG-OD1 2.96Å; N104-N108 PolarHBondContact O-N 3.19Å; N104-N108 PolarHBondContact O-ND2 3Å; R105-N108 WeakPolarHBondContact O-CB 3.48Å; R105-N108 PolarHBondContact O-N 3.31Å; R105-N108 VanDerWaalsContact O-N 3.15Å; V106-N108 VanDerWaalsContact C-N 3.32Å; V106-N108 PolarHBondContact O-N 3.03Å; N108-A111 WeakPolarHBondContact O-CB 3.41Å; N108-A111 PolarHBondContact O-N 3.02Å; N108-L112 PolarHBondContact O-N 3.17Å |
| 109 | A | 98.3 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -62.6 | -44.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | L55 L82 E85 R105 V106 A111 L112 M113 | L55-A109 HydrophobicContact CD2-CB 3.79Å; L82-A109 HydrophobicContact CD2-CB 3.98Å; E85-A109 HydrophobicContact CB-CB 3.8Å; E85-A109 HydrophobicContact CG-CB 4.17Å; R105-A109 PolarHBondContact O-N 3.24Å; V106-A109 WeakPolarHBondContact O-CB 3.45Å; V106-A109 PolarHBondContact O-N 3.12Å; A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.17Å; A109-L112 WeakPolarHBondContact O-CB 3.33Å; A109-L112 PolarHBondContact O-N 3.5Å; A109-L112 VanDerWaalsContact O-N 3.12Å; A109-M113 WeakPolarHBondContact O-CG 3.32Å; A109-M113 PolarHBondContact O-N 3.18Å |
| 110 | M | 98.5 | Very high | 97.5 | Very high | 0 Ų | 0 | 33 Ų | 33 | 0% | 0 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -63.1 | -32.4 | 175.7 | -71.2 | -170.3 | -71.9 | 0 | 0 | 113 | I86 V106 C107 L112 M113 Q114 L135 F138 L151 T154 S155 V158 | I86-M110 HydrophobicContact CD1-CG 4.4Å; I86-M110 HydrophobicContact CG1-CG 4.29Å; V106-M110 HydrophobicContact CG1-CE 4.37Å; V106-M110 WeakPolarHBondContact O-CG 3.47Å; V106-M110 PolarHBondContact O-N 2.91Å; C107-M110 HydrophobicContact CB-CE 4.24Å; C107-M110 PolarHBondContact O-N 3.17Å; C107-M110 WeakPolarHBondContact SG-CE 3.48Å; M110-L112 VanDerWaalsContact C-N 3.3Å; M110-L112 PolarHBondContact O-N 2.88Å; M110-M113 CarbonylContact O-C 3.52Å; M110-M113 WeakPolarHBondContact O-CB 3.47Å; M110-M113 PolarHBondContact O-N 3.42Å; M110-Q114 WeakPolarHBondContact O-CB 3.29Å; M110-Q114 PolarHBondContact O-N 2.61Å; M110-L135 HydrophobicContact CG-CD2 3.96Å; M110-L135 HydrophobicContact SD-CD2 3.69Å; M110-F138 HydrophobicContact CE-CD2 4.35Å; M110-F138 HydrophobicContact CE-CE2 4.32Å; M110-F138 HydrophobicContact SD-CD2 3.81Å; M110-F138 HydrophobicContact SD-CE2 3.83Å; M110-L151 HydrophobicContact CE-CD1 3.7Å; M110-L151 HydrophobicContact CE-CG 4.48Å; M110-T154 HydrophobicContact CB-CG2 3.75Å; M110-T154 HydrophobicContact CE-CG2 3.88Å; M110-T154 HydrophobicContact SD-CG2 4.49Å; M110-S155 PolarHBondContact SD-OG 3.17Å; M110-V158 HydrophobicContact CB-CG2 4.15Å; M110-V158 WeakPolarHBondContact O-CG2 3.45Å |
| 111 | A | 97.6 | Very high | 97.5 | Very high | 3 Ų | 3 | 35.8 Ų | 35.8 | 3% | 0.025 | 18% | 0.18 | C | C | . | . | H | α-helix | trans | -64.6 | -35.6 | 174 | 0 | 0 | 0 | 0 | 0 | 112 | C107 N108 A109 Q114 C115 | C107-A111 WeakPolarHBondContact O-CB 3.42Å; C107-A111 PolarHBondContact O-N 3.02Å; N108-A111 WeakPolarHBondContact O-CB 3.41Å; N108-A111 PolarHBondContact O-N 3.02Å; A109-A111 VanDerWaalsContact C-N 3.29Å; A109-A111 PolarHBondContact O-N 3.17Å; A111-Q114 WeakPolarHBondContact O-CB 3.49Å; A111-Q114 PolarHBondContact O-N 3.37Å; A111-C115 PolarHBondContact O-N 3.29Å; A111-C115 PolarHBondContact O-SG 2.6Å |
| 112 | L | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -71.4 | -38.3 | 172.6 | -60.3 | -179 | 0 | 0 | 0 | 111.7 | L45 L55 L58 L68 L72 L82 N108 A109 M110 Q114 C115 M116 | L45-L112 HydrophobicContact CD1-CD1 4.33Å; L55-L112 HydrophobicContact CD2-CD1 3.99Å; L58-L112 HydrophobicContact CB-CD1 3.99Å; L58-L112 HydrophobicContact CB-CD2 3.81Å; L58-L112 HydrophobicContact CD1-CD1 4.37Å; L68-L112 HydrophobicContact CD2-CD2 4.22Å; L72-L112 HydrophobicContact CD1-CB 3.9Å; L72-L112 HydrophobicContact CD1-CD2 4.2Å; L72-L112 HydrophobicContact CD1-CG 4.48Å; L72-L112 HydrophobicContact CD2-CD1 4.46Å; L82-L112 HydrophobicContact CD1-CB 4.04Å; L82-L112 HydrophobicContact CD2-CB 4.49Å; L82-L112 HydrophobicContact CD2-CD1 3.98Å; N108-L112 PolarHBondContact O-N 3.17Å; A109-L112 WeakPolarHBondContact O-CB 3.33Å; A109-L112 PolarHBondContact O-N 3.5Å; A109-L112 VanDerWaalsContact O-N 3.12Å; M110-L112 VanDerWaalsContact C-N 3.3Å; M110-L112 PolarHBondContact O-N 2.88Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.22Å; L112-C115 WeakPolarHBondContact O-CB 3.43Å; L112-C115 PolarHBondContact O-N 3.36Å; L112-M116 PolarHBondContact O-N 3.44Å |
| 113 | M | 98 | Very high | 97.6 | Very high | 1 Ų | 1 | 27.7 Ų | 27.7 | 1% | 0.005 | 14% | 0.138 | C | C | . | . | H | α-helix | trans | -59.8 | -39.1 | 170.5 | -65.3 | -61 | -156.4 | 0 | 0 | 111.6 | V79 L82 L83 I86 A109 M110 C115 M116 A117 F126 I131 | V79-M113 HydrophobicContact CG1-CE 4.44Å; L82-M113 HydrophobicContact CB-CE 3.34Å; L82-M113 HydrophobicContact CB-SD 4.04Å; L82-M113 HydrophobicContact CD1-CE 4.38Å; L82-M113 HydrophobicContact CD1-SD 3.99Å; L83-M113 HydrophobicContact CD2-CE 3.93Å; L83-M113 HydrophobicContact CG-CE 3.81Å; I86-M113 HydrophobicContact CD1-CE 4.04Å; I86-M113 HydrophobicContact CD1-CG 4.28Å; A109-M113 WeakPolarHBondContact O-CG 3.32Å; A109-M113 PolarHBondContact O-N 3.18Å; M110-M113 CarbonylContact O-C 3.52Å; M110-M113 WeakPolarHBondContact O-CB 3.47Å; M110-M113 PolarHBondContact O-N 3.42Å; M113-C115 VanDerWaalsContact C-N 3.31Å; M113-C115 PolarHBondContact O-N 3.29Å; M113-M116 HydrophobicContact CG-CE 4.36Å; M113-M116 PolarHBondContact O-N 2.75Å; M113-M116 HydrophobicContact SD-CE 3.2Å; M113-M116 WeakPolarHBondContact SD-CE 3.31Å; M113-A117 WeakPolarHBondContact O-CB 3.27Å; M113-A117 PolarHBondContact O-N 3.15Å; M113-F126 HydrophobicContact CB-CE2 4.03Å; M113-F126 HydrophobicContact CB-CZ 4.08Å; M113-F126 HydrophobicContact CG-CE2 4.48Å; M113-F126 HydrophobicContact SD-CE2 3.84Å; M113-I131 HydrophobicContact CE-CG2 4.18Å; M113-I131 HydrophobicContact SD-CG2 4.25Å |
| 114 | Q | 98 | Very high | 97.6 | Very high | 17 Ų | 17 | 30.7 Ų | 30.7 | 8% | 0.079 | 16% | 0.163 | C | C | . | . | H | α-helix | trans | -61.2 | -38.5 | 175.7 | -172 | -179.9 | -12.4 | 0 | 0 | 112 | M110 A111 L112 M116 A117 S118 V158 A161 | M110-Q114 WeakPolarHBondContact O-CB 3.29Å; M110-Q114 PolarHBondContact O-N 2.61Å; A111-Q114 WeakPolarHBondContact O-CB 3.49Å; A111-Q114 PolarHBondContact O-N 3.37Å; L112-Q114 VanDerWaalsContact C-N 3.27Å; L112-Q114 PolarHBondContact O-N 3.22Å; Q114-M116 PolarHBondContact O-N 2.9Å; Q114-A117 PolarHBondContact O-N 3.45Å; Q114-S118 WeakPolarHBondContact O-CB 3.41Å; Q114-S118 PolarHBondContact O-N 2.95Å; Q114-S118 PolarHBondContact O-OG 2.89Å; Q114-V158 HydrophobicContact CB-CG2 4.11Å; Q114-A161 HydrophobicContact CG-CB 3.61Å |
| 115 | C | 96.8 | Very high | 97.6 | Very high | 21 Ų | 21 | 32 Ų | 32 | 14% | 0.142 | 17% | 0.167 | C | C | . | . | H | α-helix | trans | -58.4 | -48.5 | 173.5 | -66.7 | 0 | 0 | 0 | 0 | 111.2 | A69 A111 L112 M113 S118 H119 | A69-C115 HydrophobicContact CB-CB 4.45Å; A111-C115 PolarHBondContact O-N 3.29Å; A111-C115 PolarHBondContact O-SG 2.6Å; L112-C115 WeakPolarHBondContact O-CB 3.43Å; L112-C115 PolarHBondContact O-N 3.36Å; M113-C115 VanDerWaalsContact C-N 3.31Å; M113-C115 PolarHBondContact O-N 3.29Å; C115-S118 PolarHBondContact O-N 2.76Å; C115-S118 PolarHBondContact O-OG 3.14Å; C115-H119 WeakPolarHBondContact O-CB 3.44Å; C115-H119 PolarHBondContact O-N 3.46Å; C115-H119 VanDerWaalsContact O-N 3.17Å |
| 116 | M | 98 | Very high | 97.6 | Very high | 0 Ų | 0 | 28.6 Ų | 28.6 | 0% | 0 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -64.2 | -40.5 | 177.8 | -63.4 | -176.2 | -68.9 | 0 | 0 | 112.3 | A69 L72 W73 V79 L82 L112 M113 Q114 S118 H119 T122 R123 F126 | A69-M116 HydrophobicContact CB-CG 4.26Å; L72-M116 HydrophobicContact CB-CG 4.22Å; L72-M116 HydrophobicContact CB-SD 3.74Å; L72-M116 HydrophobicContact CD1-CG 4.44Å; W73-M116 HydrophobicContact CB-SD 4.23Å; W73-M116 HydrophobicContact CE3-SD 3.8Å; V79-M116 HydrophobicContact CG2-CE 4.34Å; V79-M116 HydrophobicContact CG2-SD 4.01Å; L82-M116 HydrophobicContact CD1-CE 3.82Å; L112-M116 PolarHBondContact O-N 3.44Å; M113-M116 HydrophobicContact CG-CE 4.36Å; M113-M116 PolarHBondContact O-N 2.75Å; M113-M116 HydrophobicContact SD-CE 3.2Å; M113-M116 WeakPolarHBondContact SD-CE 3.31Å; Q114-M116 PolarHBondContact O-N 2.9Å; M116-S118 VanDerWaalsContact C-N 3.3Å; M116-S118 PolarHBondContact O-N 3.14Å; M116-H119 PolarHBondContact O-N 3.43Å; M116-T122 PolarHBondContact O-OG1 3.14Å; M116-R123 PolarHBondContact O-N 3Å; M116-F126 HydrophobicContact CB-CD2 3.86Å; M116-F126 HydrophobicContact CB-CE2 4.25Å; M116-F126 HydrophobicContact CE-CE2 4.32Å |
| 117 | A | 97.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.6 | -35.4 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | M113 Q114 R123 F126 V158 L162 | M113-A117 WeakPolarHBondContact O-CB 3.27Å; M113-A117 PolarHBondContact O-N 3.15Å; Q114-A117 PolarHBondContact O-N 3.45Å; A117-R123 WeakPolarHBondContact O-CB 3.49Å; A117-R123 WeakPolarHBondContact O-CD 3.4Å; A117-R123 WeakPolarHBondContact O-CG 3.34Å; A117-F126 HydrophobicContact CB-CD1 4.14Å; A117-F126 HydrophobicContact CB-CE1 3.84Å; A117-F126 HydrophobicContact CB-CZ 4.21Å; A117-V158 HydrophobicContact CB-CG1 4.1Å; A117-L162 HydrophobicContact CB-CD2 3.64Å; A117-L162 HydrophobicContact CB-CG 3.88Å |
| 118 | S | 96.3 | Very high | 97.5 | Very high | 65 Ų | 65 | 37.1 Ų | 37.1 | 46% | 0.455 | 19% | 0.194 | S | C | . | . | H | α-helix | trans | -84.7 | -14.9 | -178.6 | 66.1 | 0 | 0 | 0 | 0 | 114.8 | Q114 C115 M116 | Q114-S118 WeakPolarHBondContact O-CB 3.41Å; Q114-S118 PolarHBondContact O-N 2.95Å; Q114-S118 PolarHBondContact O-OG 2.89Å; C115-S118 PolarHBondContact O-N 2.76Å; C115-S118 PolarHBondContact O-OG 3.14Å; M116-S118 VanDerWaalsContact C-N 3.3Å; M116-S118 PolarHBondContact O-N 3.14Å |
| 119 | H | 97 | Very high | 97.5 | Very high | 37 Ų | 37 | 38.6 Ų | 38.6 | 17% | 0.171 | 21% | 0.21 | C | C | . | . | trans | -93.1 | 130.6 | -168.7 | -168.2 | -91.1 | 0 | 0 | 0 | 112.1 | D67 A69 V70 C115 M116 Q121 T122 R123 | D67-H119 IonicContact OD1-NE2 3.84Å; A69-H119 HydrophobicContact CB-CB 3.4Å; V70-H119 WeakPolarHBondContact CG2-CE1 3.47Å; C115-H119 WeakPolarHBondContact O-CB 3.44Å; C115-H119 PolarHBondContact O-N 3.46Å; C115-H119 VanDerWaalsContact O-N 3.17Å; M116-H119 PolarHBondContact O-N 3.43Å; H119-Q121 PolarHBondContact CE1-OE1 3.37Å; H119-Q121 PolarHBondContact ND1-N 3.07Å; H119-Q121 PolarHBondContact O-N 2.92Å; H119-Q121 VanDerWaalsContact O-N 3.13Å; H119-T122 PolarHBondContact O-N 3.28Å; H119-R123 WeakPolarHBondContact O-CB 3.46Å; H119-R123 PolarHBondContact O-N 3.5Å | ||
| 120 | Q | 96.4 | Very high | 97.5 | Very high | 149 Ų | 149 | 44.6 Ų | 44.6 | 70% | 0.696 | 24% | 0.236 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -56.7 | -34.9 | -172.8 | 67.2 | -178.2 | -4.1 | 0 | 0 | 114 | ||
| 121 | Q | 97 | Very high | 97.4 | Very high | 116 Ų | 116 | 44.8 Ų | 44.8 | 54% | 0.542 | 24% | 0.237 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -82.8 | -20.4 | -176.3 | -66.3 | -178.5 | -57.2 | 0 | 0 | 114.5 | V70 H119 | V70-Q121 HydrophobicContact CG2-CB 4.35Å; H119-Q121 PolarHBondContact CE1-OE1 3.37Å; H119-Q121 PolarHBondContact ND1-N 3.07Å; H119-Q121 PolarHBondContact O-N 2.92Å; H119-Q121 VanDerWaalsContact O-N 3.13Å |
| 122 | T | 97.9 | Very high | 97.5 | Very high | 2 Ų | 2 | 44.6 Ų | 44.6 | 1% | 0.012 | 24% | 0.236 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -116.9 | -23.7 | -171.9 | 55.6 | 0 | 0 | 0 | 0 | 113.2 | V70 W73 M116 H119 A124 Q125 F126 | V70-T122 HydrophobicContact CG2-CG2 4.47Å; W73-T122 HydrophobicContact CB-CG2 3.49Å; W73-T122 VanDerWaalsContact CB-CG2 3.49Å; W73-T122 HydrophobicContact CD2-CG2 4.49Å; W73-T122 HydrophobicContact CG-CG2 3.78Å; M116-T122 PolarHBondContact O-OG1 3.14Å; H119-T122 PolarHBondContact O-N 3.28Å; T122-A124 PolarHBondContact O-N 3.25Å; T122-Q125 PolarHBondContact O-N 3.02Å; T122-F126 WeakPolarHBondContact O-CB 3.45Å; T122-F126 PolarHBondContact O-N 3.34Å |
| 123 | R | 97.8 | Very high | 97.5 | Very high | 21 Ų | 21 | 47.8 Ų | 47.8 | 8% | 0.079 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -54.1 | -43 | -179.9 | 170.4 | -179.3 | 42.8 | 155.8 | 7.6 | 114.4 | M116 A117 H119 Q125 F126 L127 L162 T165 E167 | M116-R123 PolarHBondContact O-N 3Å; A117-R123 WeakPolarHBondContact O-CB 3.49Å; A117-R123 WeakPolarHBondContact O-CD 3.4Å; A117-R123 WeakPolarHBondContact O-CG 3.34Å; H119-R123 WeakPolarHBondContact O-CB 3.46Å; H119-R123 PolarHBondContact O-N 3.5Å; R123-Q125 VanDerWaalsContact C-N 3.34Å; R123-Q125 PolarHBondContact O-N 3.44Å; R123-F126 WeakPolarHBondContact O-CB 3.24Å; R123-F126 PolarHBondContact O-N 2.99Å; R123-L127 HydrophobicContact CG-CD1 4.28Å; R123-L127 WeakPolarHBondContact O-CG 3.49Å; R123-L127 PolarHBondContact O-N 3.34Å; R123-L162 HydrophobicContact CG-CD2 4.06Å; R123-T165 VanDerWaalsContact NH1-CG2 3.27Å; R123-T165 PolarHBondContact NH1-OG1 2.98Å; R123-E167 IonicContact CZ-OE1 3.71Å; R123-E167 IonicContact CZ-OE2 3.78Å; R123-E167 IonicContact NE-OE2 3.44Å; R123-E167 IonicContact NH1-OE1 2.69Å; R123-E167 PolarHBondContact NH1-OE1 3.47Å; R123-E167 IonicContact NH1-OE2 2.63Å; R123-E167 PolarHBondContact NH1-OE2 3.3Å; R123-E167 VanDerWaalsContact NH2-CD 3.32Å; R123-E167 IonicContact NH2-OE1 2.76Å; R123-E167 PolarHBondContact NH2-OE1 3.34Å; R123-E167 IonicContact NH2-OE2 3.55Å; R123-E167 PolarHBondContact NH2-OE2 2.91Å |
| 124 | A | 96.9 | Very high | 97.5 | Very high | 63 Ų | 63 | 52.4 Ų | 52.4 | 52% | 0.521 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -60.1 | -47.5 | 179.7 | 0 | 0 | 0 | 0 | 0 | 110.8 | T122 F126 L127 E128 | T122-A124 PolarHBondContact O-N 3.25Å; A124-F126 VanDerWaalsContact C-N 3.33Å; A124-F126 PolarHBondContact O-N 3.35Å; A124-L127 PolarHBondContact O-N 2.96Å; A124-E128 WeakPolarHBondContact O-CB 3.31Å; A124-E128 PolarHBondContact O-N 2.82Å |
| 125 | Q | 97.6 | Very high | 97.5 | Very high | 83 Ų | 83 | 51.7 Ų | 51.7 | 39% | 0.388 | 27% | 0.266 | S | S | . | . | H | α-helix | trans | -69.1 | -33.5 | 177.7 | -53.3 | 177.7 | -69.8 | 0 | 0 | 111.6 | W73 T122 R123 E128 A129 | W73-Q125 VanDerWaalsContact CD1-OE1 3.27Å; W73-Q125 HydrophobicContact CH2-CB 3.94Å; W73-Q125 WeakPolarHBondContact CH2-O 3.45Å; W73-Q125 HydrophobicContact CZ2-CB 3.2Å; W73-Q125 HydrophobicContact CZ2-CG 4.4Å; W73-Q125 VanDerWaalsContact NE1-CD 3.32Å; T122-Q125 PolarHBondContact O-N 3.02Å; R123-Q125 VanDerWaalsContact C-N 3.34Å; R123-Q125 PolarHBondContact O-N 3.44Å; Q125-E128 PolarHBondContact O-N 3.49Å; Q125-A129 VanDerWaalsContact O-CB 3.25Å; Q125-A129 WeakPolarHBondContact O-CB 3.36Å; Q125-A129 PolarHBondContact O-N 3Å |
| 126 | F | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62 | -40.3 | 174 | -173.8 | -88.2 | 0 | 0 | 0 | 112.3 | W73 M113 M116 A117 T122 R123 A124 I131 P132 V158 L162 | W73-F126 HydrophobicContact CH2-CB 4.3Å; W73-F126 HydrophobicContact CZ3-CB 3.89Å; W73-F126 AromaticContact CZ3-CD2 3.92Å; W73-F126 HydrophobicContact CZ3-CD2 3.92Å; W73-F126 HydrophobicContact CZ3-CG 4.37Å; M113-F126 HydrophobicContact CB-CE2 4.03Å; M113-F126 HydrophobicContact CB-CZ 4.08Å; M113-F126 HydrophobicContact CG-CE2 4.48Å; M113-F126 HydrophobicContact SD-CE2 3.84Å; M116-F126 HydrophobicContact CB-CD2 3.86Å; M116-F126 HydrophobicContact CB-CE2 4.25Å; M116-F126 HydrophobicContact CE-CE2 4.32Å; A117-F126 HydrophobicContact CB-CD1 4.14Å; A117-F126 HydrophobicContact CB-CE1 3.84Å; A117-F126 HydrophobicContact CB-CZ 4.21Å; T122-F126 WeakPolarHBondContact O-CB 3.45Å; T122-F126 PolarHBondContact O-N 3.34Å; R123-F126 WeakPolarHBondContact O-CB 3.24Å; R123-F126 PolarHBondContact O-N 2.99Å; A124-F126 VanDerWaalsContact C-N 3.33Å; A124-F126 PolarHBondContact O-N 3.35Å; F126-I131 HydrophobicContact CD1-CB 4.35Å; F126-I131 HydrophobicContact CD2-CB 4.19Å; F126-I131 HydrophobicContact CD2-CD1 3.65Å; F126-I131 HydrophobicContact CD2-CG2 4.17Å; F126-I131 HydrophobicContact CE1-CB 4.13Å; F126-I131 HydrophobicContact CE1-CG2 4.06Å; F126-I131 HydrophobicContact CE2-CB 3.95Å; F126-I131 HydrophobicContact CE2-CD1 3.96Å; F126-I131 HydrophobicContact CE2-CG2 3.44Å; F126-I131 VanDerWaalsContact CE2-CG2 3.44Å; F126-I131 HydrophobicContact CG-CB 4.37Å; F126-I131 HydrophobicContact CG-CD1 4.18Å; F126-I131 HydrophobicContact CZ-CB 3.91Å; F126-I131 HydrophobicContact CZ-CG2 3.38Å; F126-I131 PolarHBondContact O-N 3.18Å; F126-P132 HydrophobicContact CD1-CG 4.16Å; F126-P132 HydrophobicContact CE1-CG 3.78Å; F126-V158 HydrophobicContact CE1-CG1 4.35Å; F126-V158 HydrophobicContact CZ-CG1 4.14Å; F126-L162 HydrophobicContact CD1-CD2 4.27Å |
| 127 | L | 97 | Very high | 97.5 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 8% | 0.084 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -71.6 | -45 | 173.7 | -72.4 | 170.2 | 0 | 0 | 0 | 112.1 | R123 A124 A129 K130 P132 L162 V170 F173 | R123-L127 HydrophobicContact CG-CD1 4.28Å; R123-L127 WeakPolarHBondContact O-CG 3.49Å; R123-L127 PolarHBondContact O-N 3.34Å; A124-L127 PolarHBondContact O-N 2.96Å; L127-A129 VanDerWaalsContact C-N 3.28Å; L127-A129 PolarHBondContact O-N 3.4Å; L127-K130 WeakPolarHBondContact O-CA 3.02Å; L127-K130 PolarHBondContact O-N 3.27Å; L127-P132 HydrophobicContact CD2-CG 4.27Å; L127-L162 HydrophobicContact CD2-CD1 4.05Å; L127-L162 HydrophobicContact CD2-CD2 4.01Å; L127-L162 HydrophobicContact CG-CD2 4.24Å; L127-V170 HydrophobicContact CD1-CB 4.38Å; L127-V170 HydrophobicContact CD1-CG2 3.65Å; L127-F173 HydrophobicContact CD2-CB 4.4Å; L127-F173 HydrophobicContact CD2-CD1 3.7Å; L127-F173 HydrophobicContact CD2-CE1 4.11Å; L127-F173 HydrophobicContact CD2-CG 3.99Å |
| 128 | E | 97 | Very high | 97.5 | Very high | 162 Ų | 162 | 53.4 Ų | 53.4 | 76% | 0.757 | 28% | 0.275 | S | S | * | . | H | α-helix | trans | -59.6 | -40.2 | 179.2 | -173 | -179.7 | -172.8 | 0 | 0 | 111.5 | A124 Q125 K130 | A124-E128 WeakPolarHBondContact O-CB 3.31Å; A124-E128 PolarHBondContact O-N 2.82Å; Q125-E128 PolarHBondContact O-N 3.49Å; E128-K130 PolarHBondContact O-N 2.98Å; E128-K130 VanDerWaalsContact O-N 3.15Å |
| 129 | A | 97.4 | Very high | 97.6 | Very high | 54 Ų | 54 | 50.3 Ų | 50.3 | 45% | 0.446 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -70.7 | -1.5 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | W73 Q125 L127 I131 | W73-A129 HydrophobicContact CH2-CB 4.21Å; Q125-A129 VanDerWaalsContact O-CB 3.25Å; Q125-A129 WeakPolarHBondContact O-CB 3.36Å; Q125-A129 PolarHBondContact O-N 3Å; L127-A129 VanDerWaalsContact C-N 3.28Å; L127-A129 PolarHBondContact O-N 3.4Å; A129-I131 HydrophobicContact CB-CD1 3.99Å; A129-I131 HydrophobicContact CB-CG1 3.86Å; A129-I131 PolarHBondContact O-N 3.14Å; A129-I131 VanDerWaalsContact O-N 3.09Å |
| 130 | K | 97.5 | Very high | 97.6 | Very high | 126 Ų | 126 | 53 Ų | 53 | 55% | 0.548 | 27% | 0.269 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 54.2 | 27.6 | -179.8 | -52 | -172.6 | 178.7 | 177.9 | 0 | 113.9 | L127 E128 P132 I133 F173 | L127-K130 WeakPolarHBondContact O-CA 3.02Å; L127-K130 PolarHBondContact O-N 3.27Å; E128-K130 PolarHBondContact O-N 2.98Å; E128-K130 VanDerWaalsContact O-N 3.15Å; K130-P132 VanDerWaalsContact C-N 3.33Å; K130-I133 HydrophobicContact CB-CD1 3.88Å; K130-I133 HydrophobicContact CB-CG1 4.35Å; K130-I133 HydrophobicContact CD-CD1 4.23Å; K130-I133 HydrophobicContact CG-CD1 4.48Å; K130-I133 WeakPolarHBondContact O-CB 3.4Å; K130-I133 PolarHBondContact O-N 2.95Å; K130-I133 VanDerWaalsContact O-N 3.17Å; K130-F173 HydrophobicContact CB-CE2 4.28Å; K130-F173 HydrophobicContact CG-CE2 4.17Å |
| 131 | I | 98.2 | Very high | 97.6 | Very high | 4 Ų | 4 | 46.5 Ų | 46.5 | 2% | 0.021 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -55.4 | -38.8 | -178.7 | -66.1 | 169.4 | 0 | 0 | 0 | 113.1 | W73 V79 L83 M113 F126 A129 I133 Y134 | W73-I131 HydrophobicContact CH2-CD1 3.84Å; W73-I131 HydrophobicContact CZ3-CD1 3.59Å; V79-I131 HydrophobicContact CG1-CD1 3.69Å; L83-I131 HydrophobicContact CD2-CG2 4.09Å; M113-I131 HydrophobicContact CE-CG2 4.18Å; M113-I131 HydrophobicContact SD-CG2 4.25Å; F126-I131 HydrophobicContact CD1-CB 4.35Å; F126-I131 HydrophobicContact CD2-CB 4.19Å; F126-I131 HydrophobicContact CD2-CD1 3.65Å; F126-I131 HydrophobicContact CD2-CG2 4.17Å; F126-I131 HydrophobicContact CE1-CB 4.13Å; F126-I131 HydrophobicContact CE1-CG2 4.06Å; F126-I131 HydrophobicContact CE2-CB 3.95Å; F126-I131 HydrophobicContact CE2-CD1 3.96Å; F126-I131 HydrophobicContact CE2-CG2 3.44Å; F126-I131 VanDerWaalsContact CE2-CG2 3.44Å; F126-I131 HydrophobicContact CG-CB 4.37Å; F126-I131 HydrophobicContact CG-CD1 4.18Å; F126-I131 HydrophobicContact CZ-CB 3.91Å; F126-I131 HydrophobicContact CZ-CG2 3.38Å; F126-I131 PolarHBondContact O-N 3.18Å; A129-I131 HydrophobicContact CB-CD1 3.99Å; A129-I131 HydrophobicContact CB-CG1 3.86Å; A129-I131 PolarHBondContact O-N 3.14Å; A129-I131 VanDerWaalsContact O-N 3.09Å; I131-I133 PolarHBondContact O-N 2.72Å; I131-I133 VanDerWaalsContact O-N 3.07Å; I131-Y134 WeakPolarHBondContact O-CD2 3.45Å; I131-Y134 PolarHBondContact O-N 3.26Å; I131-Y134 VanDerWaalsContact O-N 3.15Å |
| 132 | P | 98.1 | Very high | 97.5 | Very high | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 24% | 0.243 | C | C | . | . | G | 310 helix | trans | -55.4 | -29.6 | 179.4 | -27.4 | 34.4 | 0 | 0 | 0 | 114.9 | F126 L127 K130 Y134 L135 Y136 I159 L162 F173 | F126-P132 HydrophobicContact CD1-CG 4.16Å; F126-P132 HydrophobicContact CE1-CG 3.78Å; L127-P132 HydrophobicContact CD2-CG 4.27Å; K130-P132 VanDerWaalsContact C-N 3.33Å; P132-Y134 PolarHBondContact O-N 3.08Å; P132-L135 WeakPolarHBondContact O-CB 3.48Å; P132-L135 PolarHBondContact O-N 3.41Å; P132-Y136 WeakPolarHBondContact O-CD1 3.41Å; P132-Y136 VanDerWaalsContact O-CE1 3.31Å; P132-Y136 WeakPolarHBondContact O-CE1 3.49Å; P132-I159 HydrophobicContact CB-CD1 3.81Å; P132-L162 HydrophobicContact CB-CD1 4.25Å; P132-L162 HydrophobicContact CG-CD1 3.64Å; P132-F173 HydrophobicContact CB-CE1 3.8Å; P132-F173 HydrophobicContact CB-CZ 4.11Å; P132-F173 HydrophobicContact CG-CE1 3.76Å; P132-F173 HydrophobicContact CG-CZ 4.01Å |
| 133 | I | 97.9 | Very high | 97.3 | Very high | 67 Ų | 67 | 47.1 Ų | 47.1 | 34% | 0.344 | 25% | 0.252 | S | S | . | . | G | 310 helix | trans | -63.1 | -30.9 | -176.7 | -58.1 | -176.9 | 0 | 0 | 0 | 111.3 | K130 I131 L135 Y136 F173 T177 | K130-I133 HydrophobicContact CB-CD1 3.88Å; K130-I133 HydrophobicContact CB-CG1 4.35Å; K130-I133 HydrophobicContact CD-CD1 4.23Å; K130-I133 HydrophobicContact CG-CD1 4.48Å; K130-I133 WeakPolarHBondContact O-CB 3.4Å; K130-I133 PolarHBondContact O-N 2.95Å; K130-I133 VanDerWaalsContact O-N 3.17Å; I131-I133 PolarHBondContact O-N 2.72Å; I131-I133 VanDerWaalsContact O-N 3.07Å; I133-L135 PolarHBondContact O-N 3.02Å; I133-L135 VanDerWaalsContact O-N 3.08Å; I133-Y136 WeakPolarHBondContact O-CB 3.45Å; I133-Y136 PolarHBondContact O-N 3.32Å; I133-Y136 VanDerWaalsContact O-N 3.07Å; I133-F173 HydrophobicContact CD1-CE2 4.48Å; I133-F173 HydrophobicContact CD1-CZ 4.3Å; I133-F173 HydrophobicContact CG1-CZ 3.93Å; I133-T177 HydrophobicContact CD1-CG2 3.81Å; I133-T177 HydrophobicContact CG1-CG2 4.03Å |
| 134 | Y | 98.3 | Very high | 97.2 | Very high | 98 Ų | 98 | 51.6 Ų | 51.6 | 38% | 0.384 | 28% | 0.282 | S | S | . | . | G | 310 helix | trans | -64.4 | -14.3 | 177 | -69.1 | -92 | 0 | 0 | 0 | 113.2 | L83 I86 V87 Y90 I131 P132 | L83-Y134 HydrophobicContact CD2-CD1 4.34Å; L83-Y134 HydrophobicContact CD2-CD2 3.86Å; L83-Y134 HydrophobicContact CD2-CE2 4.27Å; L83-Y134 HydrophobicContact CD2-CG 3.89Å; I86-Y134 WeakPolarHBondContact CG2-O 3.47Å; V87-Y134 HydrophobicContact CG2-CD1 3.87Å; V87-Y134 HydrophobicContact CG2-CE1 4.22Å; Y90-Y134 WeakPolarHBondContact OH-CA 3.44Å; Y90-Y134 PolarHBondContact OH-O 3.4Å; I131-Y134 WeakPolarHBondContact O-CD2 3.45Å; I131-Y134 PolarHBondContact O-N 3.26Å; I131-Y134 VanDerWaalsContact O-N 3.15Å; P132-Y134 PolarHBondContact O-N 3.08Å |
| 135 | L | 98.4 | Very high | 97.1 | Very high | 1 Ų | 1 | 50.7 Ų | 50.7 | 1% | 0.005 | 28% | 0.275 | C | S | . | . | G | 310 helix | trans | -89.8 | -12.5 | 177.8 | -52.9 | -178.5 | 0 | 0 | 0 | 112.8 | I86 M110 P132 I133 F138 L139 V158 | I86-L135 HydrophobicContact CD1-CD2 3.74Å; I86-L135 HydrophobicContact CG1-CD2 4.25Å; I86-L135 HydrophobicContact CG2-CD2 4.25Å; M110-L135 HydrophobicContact CG-CD2 3.96Å; M110-L135 HydrophobicContact SD-CD2 3.69Å; P132-L135 WeakPolarHBondContact O-CB 3.48Å; P132-L135 PolarHBondContact O-N 3.41Å; I133-L135 PolarHBondContact O-N 3.02Å; I133-L135 VanDerWaalsContact O-N 3.08Å; L135-F138 HydrophobicContact CD2-CD2 4.24Å; L135-F138 HydrophobicContact CD2-CE2 4.23Å; L135-F138 VanDerWaalsContact O-CB 3.29Å; L135-F138 WeakPolarHBondContact O-CB 3.06Å; L135-F138 PolarHBondContact O-N 3.11Å; L135-L139 PolarHBondContact O-N 3.27Å; L135-V158 HydrophobicContact CD1-CB 3.58Å; L135-V158 HydrophobicContact CD1-CG1 3.73Å; L135-V158 HydrophobicContact CD1-CG2 3.8Å |
| 136 | Y | 98 | Very high | 97.1 | Very high | 16 Ų | 16 | 55.2 Ų | 55.2 | 6% | 0.063 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -68.5 | -35.8 | -171.3 | -74.3 | 30.1 | 0 | 0 | 0 | 112.7 | P132 I133 F138 L139 L140 I159 L174 T177 I179 L182 | P132-Y136 WeakPolarHBondContact O-CD1 3.41Å; P132-Y136 VanDerWaalsContact O-CE1 3.31Å; P132-Y136 WeakPolarHBondContact O-CE1 3.49Å; I133-Y136 WeakPolarHBondContact O-CB 3.45Å; I133-Y136 PolarHBondContact O-N 3.32Å; I133-Y136 VanDerWaalsContact O-N 3.07Å; Y136-F138 PolarHBondContact O-N 3.48Å; Y136-L139 HydrophobicContact CD1-CD1 4.43Å; Y136-L139 PolarHBondContact O-N 2.99Å; Y136-L139 VanDerWaalsContact O-N 3.08Å; Y136-L140 PolarHBondContact O-N 2.92Å; Y136-L140 VanDerWaalsContact O-N 3.11Å; Y136-I159 HydrophobicContact CE1-CD1 4.1Å; Y136-L174 WeakPolarHBondContact OH-CD2 3.24Å; Y136-T177 WeakPolarHBondContact CE2-O 3.43Å; Y136-T177 PolarHBondContact OH-OG1 3.31Å; Y136-I179 HydrophobicContact CE1-CD1 4.11Å; Y136-I179 HydrophobicContact CE2-CB 4.47Å; Y136-I179 HydrophobicContact CE2-CD1 4.39Å; Y136-L182 HydrophobicContact CD1-CD1 4.45Å; Y136-L182 HydrophobicContact CD2-CD1 3.37Å; Y136-L182 HydrophobicContact CE2-CD1 3.87Å; Y136-L182 HydrophobicContact CG-CD1 3.69Å |
| 137 | P | 97.7 | Very high | 97.1 | Very high | 41 Ų | 41 | 56.4 Ų | 56.4 | 27% | 0.266 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -54.8 | -33.2 | 169.8 | -28.9 | 37.9 | 0 | 0 | 0 | 113.6 | Y90 I93 L140 | Y90-P137 HydrophobicContact CD1-CB 4.47Å; Y90-P137 HydrophobicContact CE1-CB 4.1Å; Y90-P137 HydrophobicContact CE1-CG 4.14Å; Y90-P137 HydrophobicContact CE2-CG 4.4Å; I93-P137 HydrophobicContact CD1-CB 3.9Å; P137-L140 PolarHBondContact O-N 3.1Å |
| 138 | F | 98.1 | Very high | 97.1 | Very high | 0 Ų | 0 | 55.8 Ų | 55.8 | 0% | 0 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -70.1 | -41.3 | 176.8 | -58.3 | -24.2 | 0 | 0 | 0 | 111.8 | I86 V89 Y90 I93 V106 M110 L135 Y136 L140 T141 L151 R152 S155 | I86-F138 HydrophobicContact CB-CE2 4.43Å; I86-F138 HydrophobicContact CB-CZ 4.39Å; I86-F138 HydrophobicContact CG1-CE2 4.43Å; I86-F138 HydrophobicContact CG2-CE2 3.73Å; I86-F138 HydrophobicContact CG2-CZ 3.74Å; I86-F138 WeakPolarHBondContact O-CZ 3.39Å; V89-F138 HydrophobicContact CB-CE1 4.24Å; V89-F138 HydrophobicContact CB-CZ 4.27Å; V89-F138 HydrophobicContact CG1-CE1 3.96Å; V89-F138 HydrophobicContact CG1-CZ 4.33Å; Y90-F138 AromaticContact CD1-CE1 3.78Å; Y90-F138 HydrophobicContact CD1-CE1 3.78Å; Y90-F138 HydrophobicContact CD1-CZ 4.35Å; Y90-F138 HydrophobicContact CE1-CD1 4.4Å; Y90-F138 AromaticContact CE1-CE1 3.74Å; Y90-F138 HydrophobicContact CE1-CE1 3.74Å; Y90-F138 HydrophobicContact CE1-CZ 4.05Å; I93-F138 HydrophobicContact CD1-CD1 3.64Å; I93-F138 HydrophobicContact CD1-CE1 3.84Å; I93-F138 HydrophobicContact CG1-CD1 4.39Å; V106-F138 HydrophobicContact CG2-CE2 4.13Å; V106-F138 HydrophobicContact CG2-CZ 4.06Å; M110-F138 HydrophobicContact CE-CD2 4.35Å; M110-F138 HydrophobicContact CE-CE2 4.32Å; M110-F138 HydrophobicContact SD-CD2 3.81Å; M110-F138 HydrophobicContact SD-CE2 3.83Å; L135-F138 HydrophobicContact CD2-CD2 4.24Å; L135-F138 HydrophobicContact CD2-CE2 4.23Å; L135-F138 VanDerWaalsContact O-CB 3.29Å; L135-F138 WeakPolarHBondContact O-CB 3.06Å; L135-F138 PolarHBondContact O-N 3.11Å; Y136-F138 PolarHBondContact O-N 3.48Å; F138-L140 PolarHBondContact O-N 3.16Å; F138-T141 WeakPolarHBondContact O-CB 3.27Å; F138-T141 WeakPolarHBondContact O-CG2 3.3Å; F138-T141 PolarHBondContact O-N 3.43Å; F138-T141 PolarHBondContact O-OG1 3.04Å; F138-L151 HydrophobicContact CB-CD2 3.79Å; F138-L151 HydrophobicContact CB-CG 3.85Å; F138-L151 HydrophobicContact CD1-CD1 4.3Å; F138-L151 HydrophobicContact CD1-CD2 3.45Å; F138-L151 VanDerWaalsContact CD1-CD2 3.45Å; F138-L151 HydrophobicContact CD1-CG 4.03Å; F138-L151 HydrophobicContact CD2-CD1 3.96Å; F138-L151 HydrophobicContact CD2-CD2 4.33Å; F138-L151 HydrophobicContact CD2-CG 3.99Å; F138-L151 HydrophobicContact CE1-CD1 4.34Å; F138-L151 HydrophobicContact CE1-CD2 4.02Å; F138-L151 HydrophobicContact CE2-CD1 4Å; F138-L151 HydrophobicContact CG-CD1 4.09Å; F138-L151 HydrophobicContact CG-CD2 3.61Å; F138-L151 HydrophobicContact CG-CG 3.71Å; F138-L151 HydrophobicContact CZ-CD1 4.18Å; F138-R152 WeakPolarHBondContact O-CG 3.4Å; F138-S155 WeakPolarHBondContact CB-OG 3.36Å; F138-S155 WeakPolarHBondContact CD2-OG 3.34Å |
| 139 | L | 97.7 | Very high | 97.1 | Very high | 1 Ų | 1 | 49.2 Ų | 49.2 | 1% | 0.005 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -65.1 | -25.9 | 177.1 | -59.7 | -177.6 | 0 | 0 | 0 | 112.9 | L135 Y136 T141 L156 I179 L182 I186 | L135-L139 PolarHBondContact O-N 3.27Å; Y136-L139 HydrophobicContact CD1-CD1 4.43Å; Y136-L139 PolarHBondContact O-N 2.99Å; Y136-L139 VanDerWaalsContact O-N 3.08Å; L139-T141 VanDerWaalsContact C-N 3.33Å; L139-L156 HydrophobicContact CD1-CD2 4.45Å; L139-L156 HydrophobicContact CD2-CD2 3.84Å; L139-L156 HydrophobicContact CD2-CG 3.71Å; L139-I179 HydrophobicContact CD1-CD1 3.8Å; L139-L182 HydrophobicContact CB-CB 4.3Å; L139-L182 HydrophobicContact CB-CD1 4.23Å; L139-L182 HydrophobicContact CB-CD2 4.45Å; L139-L182 HydrophobicContact CD1-CB 4.39Å; L139-L182 HydrophobicContact CD1-CD1 4.12Å; L139-I186 HydrophobicContact CB-CD1 4.14Å; L139-I186 HydrophobicContact CD2-CD1 3.82Å |
| 140 | L | 96.2 | Very high | 97 | Very high | 94 Ų | 94 | 48.3 Ų | 48.3 | 49% | 0.492 | 25% | 0.247 | S | C | . | . | H | α-helix | trans | -74.6 | -20.3 | 177.8 | -76.2 | 168.8 | 0 | 0 | 0 | 114 | Y136 P137 F138 L182 K185 | Y136-L140 PolarHBondContact O-N 2.92Å; Y136-L140 VanDerWaalsContact O-N 3.11Å; P137-L140 PolarHBondContact O-N 3.1Å; F138-L140 PolarHBondContact O-N 3.16Å; L140-L182 HydrophobicContact CD2-CD2 3.34Å; L140-L182 HydrophobicContact CG-CD2 3.64Å; L140-K185 PolarHBondContact O-NZ 3.07Å |
| 141 | T | 96.3 | Very high | 97.1 | Very high | 11 Ų | 11 | 42.3 Ų | 42.3 | 7% | 0.067 | 22% | 0.221 | C | C | . | . | trans | -58.2 | 142.9 | -177.6 | 63.1 | 0 | 0 | 0 | 0 | 112.1 | I93 F138 L139 F148 R152 | I93-T141 HydrophobicContact CG1-CG2 4.42Å; I93-T141 HydrophobicContact CG2-CG2 3.77Å; F138-T141 WeakPolarHBondContact O-CB 3.27Å; F138-T141 WeakPolarHBondContact O-CG2 3.3Å; F138-T141 PolarHBondContact O-N 3.43Å; F138-T141 PolarHBondContact O-OG1 3.04Å; L139-T141 VanDerWaalsContact C-N 3.33Å; T141-F148 HydrophobicContact CG2-CD1 3.65Å; T141-F148 HydrophobicContact CG2-CE1 3.85Å; T141-R152 WeakPolarHBondContact O-CD 3.29Å; T141-R152 VanDerWaalsContact OG1-CD 3.24Å; T141-R152 WeakPolarHBondContact OG1-CD 3.44Å; T141-R152 VanDerWaalsContact OG1-CG 3.32Å; T141-R152 WeakPolarHBondContact OG1-CG 3.26Å; T141-R152 PolarHBondContact OG1-NE 3.26Å | ||
| 142 | T | 94.9 | Very high | 97.1 | Very high | 101 Ų | 101 | 42.3 Ų | 42.3 | 62% | 0.62 | 22% | 0.221 | S | C | * | . | trans | -115.7 | -9 | -177.5 | 54.2 | 0 | 0 | 0 | 0 | 113.4 | T144 | T142-T144 PolarHBondContact O-N 2.62Š| ||
| 143 | S | 94.8 | Very high | 97.1 | Very high | 30 Ų | 30 | 43.4 Ų | 43.4 | 21% | 0.21 | 23% | 0.227 | C | C | . | . | trans | -64.3 | 127.1 | 178.4 | 177.4 | 0 | 0 | 0 | 0 | 110.8 | A145 F148 R152 | S143-A145 PolarHBondContact O-N 2.81Å; S143-A145 WeakPolarHBondContact OG-CB 3.28Å; S143-A145 PolarHBondContact OG-N 2.7Å; S143-F148 VanDerWaalsContact O-CB 3.27Å; S143-F148 WeakPolarHBondContact O-CB 3.48Å; S143-F148 WeakPolarHBondContact OG-CD2 3.45Å; S143-R152 PolarHBondContact O-NH2 2.85Å | ||
| 144 | T | 95.1 | Very high | 97.1 | Very high | 116 Ų | 116 | 40.6 Ų | 40.6 | 71% | 0.712 | 21% | 0.212 | S | C | * | . | trans | -82.4 | 0.5 | 176.3 | 55.3 | 0 | 0 | 0 | 0 | 112.7 | T142 | T142-T144 PolarHBondContact O-N 2.62Š| ||
| 145 | A | 95.9 | Very high | 97.1 | Very high | 44 Ų | 44 | 35.9 Ų | 35.9 | 36% | 0.364 | 19% | 0.194 | S | C | . | . | S | Bend | trans | -61.7 | 140.7 | 175.6 | 0 | 0 | 0 | 0 | 0 | 110.5 | S143 P147 F148 E149 | S143-A145 PolarHBondContact O-N 2.81Å; S143-A145 WeakPolarHBondContact OG-CB 3.28Å; S143-A145 PolarHBondContact OG-N 2.7Å; A145-P147 VanDerWaalsContact C-N 3.31Å; A145-P147 VanDerWaalsContact O-N 3.13Å; A145-F148 HydrophobicContact CB-CD2 4.27Å; A145-F148 WeakPolarHBondContact O-CB 3.32Å; A145-F148 PolarHBondContact O-N 3.35Å; A145-E149 PolarHBondContact O-N 2.59Å; A145-E149 VanDerWaalsContact O-N 3.13Å |
| 146 | R | 96.1 | Very high | 97.1 | Very high | 178 Ų | 178 | 35.9 Ų | 35.9 | 67% | 0.672 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -48.7 | -41.1 | -176.6 | -173.6 | 177 | -179.4 | 179.7 | 0.6 | 114.6 | F148 E149 Y150 | R146-F148 VanDerWaalsContact C-N 3.28Å; R146-F148 PolarHBondContact O-N 3.19Å; R146-E149 PolarHBondContact O-N 3.36Å; R146-Y150 WeakPolarHBondContact O-CB 3.36Å; R146-Y150 PolarHBondContact O-N 3.07Å |
| 147 | P | 97.7 | Very high | 97.1 | Very high | 24 Ų | 24 | 35.4 Ų | 35.4 | 16% | 0.156 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -59.4 | -35.5 | 176.1 | -25.3 | 36.3 | 0 | 0 | 0 | 113.8 | L98 A100 S103 A145 L151 | L98-P147 HydrophobicContact CD2-CB 4.28Å; L98-P147 HydrophobicContact CG-CB 4.19Å; A100-P147 HydrophobicContact CB-CG 4.33Å; S103-P147 PolarHBondContact OG-O 3.46Å; A145-P147 VanDerWaalsContact C-N 3.31Å; A145-P147 VanDerWaalsContact O-N 3.13Å; P147-L151 WeakPolarHBondContact O-CB 3.43Å; P147-L151 PolarHBondContact O-N 2.59Å; P147-L151 VanDerWaalsContact O-N 3.1Å |
| 148 | F | 97.6 | Very high | 97.1 | Very high | 3 Ų | 3 | 33.4 Ų | 33.4 | 1% | 0.013 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -80.4 | -37.3 | 179.7 | -76.4 | -87.4 | 0 | 0 | 0 | 113 | S92 P96 L98 T141 S143 A145 R146 Y150 L151 R152 | S92-F148 WeakPolarHBondContact O-CZ 3.4Å; P96-F148 VanDerWaalsContact CA-CZ 3.5Å; P96-F148 HydrophobicContact CB-CE1 4.21Å; P96-F148 HydrophobicContact CB-CE2 3.71Å; P96-F148 HydrophobicContact CB-CZ 3.44Å; P96-F148 VanDerWaalsContact CB-CZ 3.44Å; L98-F148 HydrophobicContact CB-CD2 4.24Å; L98-F148 HydrophobicContact CB-CE1 4.15Å; L98-F148 HydrophobicContact CB-CE2 3.53Å; L98-F148 HydrophobicContact CB-CZ 3.47Å; L98-F148 VanDerWaalsContact CB-CZ 3.47Å; L98-F148 HydrophobicContact CD2-CD1 4.45Å; L98-F148 HydrophobicContact CD2-CE1 4.4Å; L98-F148 HydrophobicContact CD2-CZ 4.47Å; T141-F148 HydrophobicContact CG2-CD1 3.65Å; T141-F148 HydrophobicContact CG2-CE1 3.85Å; S143-F148 VanDerWaalsContact O-CB 3.27Å; S143-F148 WeakPolarHBondContact O-CB 3.48Å; S143-F148 WeakPolarHBondContact OG-CD2 3.45Å; A145-F148 HydrophobicContact CB-CD2 4.27Å; A145-F148 WeakPolarHBondContact O-CB 3.32Å; A145-F148 PolarHBondContact O-N 3.35Å; R146-F148 VanDerWaalsContact C-N 3.28Å; R146-F148 PolarHBondContact O-N 3.19Å; F148-Y150 VanDerWaalsContact C-N 3.31Å; F148-L151 PolarHBondContact O-N 3.14Å; F148-R152 WeakPolarHBondContact O-CG 3.45Å; F148-R152 PolarHBondContact O-N 3.25Å; F148-R152 PolarHBondContact O-NE 3.27Å |
| 149 | E | 96.7 | Very high | 97.2 | Very high | 24 Ų | 24 | 33.4 Ų | 33.4 | 11% | 0.112 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.6 | -44 | 171.2 | -74.5 | -67.1 | 157 | 0 | 0 | 110.9 | A145 R146 L151 R152 L153 T191 | A145-E149 PolarHBondContact O-N 2.59Å; A145-E149 VanDerWaalsContact O-N 3.13Å; R146-E149 PolarHBondContact O-N 3.36Å; E149-L151 PolarHBondContact O-N 3.27Å; E149-R152 PolarHBondContact O-N 3.42Å; E149-R152 IonicContact OE1-CZ 2.84Å; E149-R152 IonicContact OE1-NH1 2.95Å; E149-R152 IonicContact OE1-NH2 3.81Å; E149-R152 PolarHBondContact OE1-NH2 3.43Å; E149-R152 IonicContact OE2-NH2 3.92Å; E149-L153 WeakPolarHBondContact O-CB 3.38Å; E149-L153 PolarHBondContact O-N 2.98Å; E149-T191 HydrophobicContact CG-CG2 4.2Å; E149-T191 WeakPolarHBondContact OE2-CG2 3.41Å; E149-T191 PolarHBondContact OE2-OG1 3.43Å |
| 150 | Y | 96.6 | Very high | 97.2 | Very high | 35 Ų | 35 | 33.7 Ų | 33.7 | 14% | 0.137 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -65.7 | -40.1 | 178.3 | -172.8 | -133.9 | 0 | 0 | 0 | 112.3 | A11 N104 C107 R146 F148 L153 T154 | A11-Y150 HydrophobicContact CB-CE2 4.12Å; N104-Y150 WeakPolarHBondContact OD1-CE1 3.39Å; C107-Y150 HydrophobicContact CB-CD1 4.1Å; C107-Y150 HydrophobicContact CB-CE1 3.49Å; C107-Y150 VanDerWaalsContact CB-CE1 3.49Å; C107-Y150 VanDerWaalsContact SG-CD1 3.6Å; R146-Y150 WeakPolarHBondContact O-CB 3.36Å; R146-Y150 PolarHBondContact O-N 3.07Å; F148-Y150 VanDerWaalsContact C-N 3.31Å; Y150-L153 PolarHBondContact O-N 3.44Å; Y150-T154 WeakPolarHBondContact O-CB 3.43Å; Y150-T154 PolarHBondContact O-N 3.47Å; Y150-T154 PolarHBondContact O-OG1 3.1Å |
| 151 | L | 98.1 | Very high | 97.3 | Very high | 0 Ų | 0 | 29.7 Ų | 29.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -60.3 | -49.1 | 175.4 | -169.8 | 76.5 | 0 | 0 | 0 | 111.6 | L98 V106 M110 F138 P147 F148 E149 T154 S155 | L98-L151 HydrophobicContact CD2-CB 4.37Å; L98-L151 HydrophobicContact CD2-CD1 4.45Å; L98-L151 HydrophobicContact CD2-CD2 3.8Å; L98-L151 HydrophobicContact CD2-CG 4.45Å; V106-L151 HydrophobicContact CG1-CD1 3.39Å; M110-L151 HydrophobicContact CE-CD1 3.7Å; M110-L151 HydrophobicContact CE-CG 4.48Å; F138-L151 HydrophobicContact CB-CD2 3.79Å; F138-L151 HydrophobicContact CB-CG 3.85Å; F138-L151 HydrophobicContact CD1-CD1 4.3Å; F138-L151 HydrophobicContact CD1-CD2 3.45Å; F138-L151 VanDerWaalsContact CD1-CD2 3.45Å; F138-L151 HydrophobicContact CD1-CG 4.03Å; F138-L151 HydrophobicContact CD2-CD1 3.96Å; F138-L151 HydrophobicContact CD2-CD2 4.33Å; F138-L151 HydrophobicContact CD2-CG 3.99Å; F138-L151 HydrophobicContact CE1-CD1 4.34Å; F138-L151 HydrophobicContact CE1-CD2 4.02Å; F138-L151 HydrophobicContact CE2-CD1 4Å; F138-L151 HydrophobicContact CG-CD1 4.09Å; F138-L151 HydrophobicContact CG-CD2 3.61Å; F138-L151 HydrophobicContact CG-CG 3.71Å; F138-L151 HydrophobicContact CZ-CD1 4.18Å; P147-L151 WeakPolarHBondContact O-CB 3.43Å; P147-L151 PolarHBondContact O-N 2.59Å; P147-L151 VanDerWaalsContact O-N 3.1Å; F148-L151 PolarHBondContact O-N 3.14Å; E149-L151 PolarHBondContact O-N 3.27Å; L151-T154 PolarHBondContact O-N 3.44Å; L151-S155 WeakPolarHBondContact O-CB 3.45Å; L151-S155 PolarHBondContact O-N 3.02Å; L151-S155 PolarHBondContact O-OG 3.49Å |
| 152 | R | 98.1 | Very high | 97.4 | Very high | 4 Ų | 4 | 29.2 Ų | 29.2 | 2% | 0.015 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.5 | -47.2 | 177.3 | -79.5 | -176.7 | -77.1 | 158.6 | -0.6 | 112.1 | F138 T141 S143 F148 E149 T154 S155 L156 | F138-R152 WeakPolarHBondContact O-CG 3.4Å; T141-R152 WeakPolarHBondContact O-CD 3.29Å; T141-R152 VanDerWaalsContact OG1-CD 3.24Å; T141-R152 WeakPolarHBondContact OG1-CD 3.44Å; T141-R152 VanDerWaalsContact OG1-CG 3.32Å; T141-R152 WeakPolarHBondContact OG1-CG 3.26Å; T141-R152 PolarHBondContact OG1-NE 3.26Å; S143-R152 PolarHBondContact O-NH2 2.85Å; F148-R152 WeakPolarHBondContact O-CG 3.45Å; F148-R152 PolarHBondContact O-N 3.25Å; F148-R152 PolarHBondContact O-NE 3.27Å; E149-R152 PolarHBondContact O-N 3.42Å; E149-R152 IonicContact OE1-CZ 2.84Å; E149-R152 IonicContact OE1-NH1 2.95Å; E149-R152 IonicContact OE1-NH2 3.81Å; E149-R152 PolarHBondContact OE1-NH2 3.43Å; E149-R152 IonicContact OE2-NH2 3.92Å; R152-T154 VanDerWaalsContact C-N 3.34Å; R152-T154 PolarHBondContact O-N 3.27Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 2.76Å; R152-L156 WeakPolarHBondContact O-CG 3.21Å; R152-L156 PolarHBondContact O-N 2.85Å |
| 153 | L | 98.1 | Very high | 97.5 | Very high | 24 Ų | 24 | 24.4 Ų | 24.4 | 13% | 0.126 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.4 | -43.3 | -179.9 | 178.1 | 62 | 0 | 0 | 0 | 111.9 | A12 E149 Y150 L156 G157 L193 V197 | A12-L153 HydrophobicContact CB-CD2 4.26Å; E149-L153 WeakPolarHBondContact O-CB 3.38Å; E149-L153 PolarHBondContact O-N 2.98Å; Y150-L153 PolarHBondContact O-N 3.44Å; L153-L156 PolarHBondContact O-N 3.21Å; L153-G157 PolarHBondContact O-N 3.37Å; L153-L193 HydrophobicContact CD1-CD2 4.28Å; L153-L193 HydrophobicContact CD1-CG 3.87Å; L153-L193 HydrophobicContact CD2-CD2 3.48Å; L153-L193 VanDerWaalsContact CD2-CD2 3.48Å; L153-L193 HydrophobicContact CD2-CG 3.99Å; L153-V197 HydrophobicContact CD1-CG2 3.93Å |
| 154 | T | 98.1 | Very high | 97.6 | Very high | 7 Ų | 7 | 26.7 Ų | 26.7 | 4% | 0.043 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -69.1 | -38.5 | -179.6 | -51.5 | 0 | 0 | 0 | 0 | 111.1 | C107 M110 Y150 L151 R152 G157 V158 | C107-T154 HydrophobicContact CB-CG2 4Å; C107-T154 PolarHBondContact SG-OG1 3.41Å; C107-T154 VanDerWaalsContact SG-OG1 3.38Å; M110-T154 HydrophobicContact CB-CG2 3.75Å; M110-T154 HydrophobicContact CE-CG2 3.88Å; M110-T154 HydrophobicContact SD-CG2 4.49Å; Y150-T154 WeakPolarHBondContact O-CB 3.43Å; Y150-T154 PolarHBondContact O-N 3.47Å; Y150-T154 PolarHBondContact O-OG1 3.1Å; L151-T154 PolarHBondContact O-N 3.44Å; R152-T154 VanDerWaalsContact C-N 3.34Å; R152-T154 PolarHBondContact O-N 3.27Å; T154-G157 WeakPolarHBondContact O-CA 3.46Å; T154-G157 PolarHBondContact O-N 3.14Å; T154-G157 VanDerWaalsContact O-N 3.07Å; T154-V158 WeakPolarHBondContact O-CG2 3.47Å; T154-V158 PolarHBondContact O-N 2.94Å; T154-V158 VanDerWaalsContact O-N 3.15Å |
| 155 | S | 98.5 | Very high | 97.6 | Very high | 0 Ų | 0 | 23.1 Ų | 23.1 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60 | -47.6 | 172.6 | -57 | 0 | 0 | 0 | 0 | 111.6 | M110 F138 L151 R152 G157 V158 I159 | M110-S155 PolarHBondContact SD-OG 3.17Å; F138-S155 WeakPolarHBondContact CB-OG 3.36Å; F138-S155 WeakPolarHBondContact CD2-OG 3.34Å; L151-S155 WeakPolarHBondContact O-CB 3.45Å; L151-S155 PolarHBondContact O-N 3.02Å; L151-S155 PolarHBondContact O-OG 3.49Å; R152-S155 WeakPolarHBondContact O-CB 3.34Å; R152-S155 PolarHBondContact O-N 2.76Å; S155-G157 PolarHBondContact O-N 2.92Å; S155-V158 PolarHBondContact O-N 3.17Å; S155-I159 PolarHBondContact O-N 2.93Å |
| 156 | L | 98.6 | Very high | 97.6 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -61.1 | -32.2 | 172.7 | -73.2 | 174.4 | 0 | 0 | 0 | 112 | L139 R152 L153 V158 I159 G160 I186 V197 A198 I201 | L139-L156 HydrophobicContact CD1-CD2 4.45Å; L139-L156 HydrophobicContact CD2-CD2 3.84Å; L139-L156 HydrophobicContact CD2-CG 3.71Å; R152-L156 WeakPolarHBondContact O-CG 3.21Å; R152-L156 PolarHBondContact O-N 2.85Å; L153-L156 PolarHBondContact O-N 3.21Å; L156-V158 VanDerWaalsContact C-N 3.35Å; L156-I159 PolarHBondContact O-N 3.43Å; L156-G160 WeakPolarHBondContact O-CA 3.31Å; L156-G160 PolarHBondContact O-N 3.42Å; L156-I186 HydrophobicContact CD1-CD1 3.96Å; L156-I186 HydrophobicContact CD1-CG2 3.94Å; L156-I186 HydrophobicContact CD2-CD1 4.1Å; L156-I186 HydrophobicContact CG-CD1 4.18Å; L156-V197 HydrophobicContact CB-CB 4.31Å; L156-V197 HydrophobicContact CB-CG1 3.72Å; L156-V197 HydrophobicContact CD1-CB 4.48Å; L156-A198 HydrophobicContact CD1-CB 4.16Å; L156-A198 HydrophobicContact CD2-CB 4.38Å; L156-I201 HydrophobicContact CB-CD1 4.32Å; L156-I201 HydrophobicContact CD2-CD1 3.69Å |
| 157 | G | 98.2 | Very high | 97.5 | Very high | 6 Ų | 6 | 20.9 Ų | 20.9 | 6% | 0.062 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -60.6 | -41.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 112.8 | L153 T154 S155 G160 A161 | L153-G157 PolarHBondContact O-N 3.37Å; T154-G157 WeakPolarHBondContact O-CA 3.46Å; T154-G157 PolarHBondContact O-N 3.14Å; T154-G157 VanDerWaalsContact O-N 3.07Å; S155-G157 PolarHBondContact O-N 2.92Å; G157-G160 PolarHBondContact O-N 3.47Å; G157-A161 WeakPolarHBondContact O-CB 3.36Å; G157-A161 PolarHBondContact O-N 2.92Å |
| 158 | V | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -64.7 | -47.4 | 175.4 | -173.9 | 0 | 0 | 0 | 0 | 111 | M110 Q114 A117 F126 L135 T154 S155 L156 G160 A161 L162 | M110-V158 HydrophobicContact CB-CG2 4.15Å; M110-V158 WeakPolarHBondContact O-CG2 3.45Å; Q114-V158 HydrophobicContact CB-CG2 4.11Å; A117-V158 HydrophobicContact CB-CG1 4.1Å; F126-V158 HydrophobicContact CE1-CG1 4.35Å; F126-V158 HydrophobicContact CZ-CG1 4.14Å; L135-V158 HydrophobicContact CD1-CB 3.58Å; L135-V158 HydrophobicContact CD1-CG1 3.73Å; L135-V158 HydrophobicContact CD1-CG2 3.8Å; T154-V158 WeakPolarHBondContact O-CG2 3.47Å; T154-V158 PolarHBondContact O-N 2.94Å; T154-V158 VanDerWaalsContact O-N 3.15Å; S155-V158 PolarHBondContact O-N 3.17Å; L156-V158 VanDerWaalsContact C-N 3.35Å; V158-G160 VanDerWaalsContact C-N 3.35Å; V158-G160 PolarHBondContact O-N 3.15Å; V158-A161 WeakPolarHBondContact O-CB 3.46Å; V158-A161 PolarHBondContact O-N 3.37Å; V158-L162 PolarHBondContact O-N 2.87Å |
| 159 | I | 98.5 | Very high | 97.4 | Very high | 0 Ų | 0 | 29.5 Ų | 29.5 | 0% | 0 | 15% | 0.151 | C | C | . | . | H | α-helix | trans | -64.6 | -41.6 | 177.5 | -54.1 | -55.1 | 0 | 0 | 0 | 111.2 | P132 Y136 S155 L156 A161 L162 V163 L174 I179 I201 | P132-I159 HydrophobicContact CB-CD1 3.81Å; Y136-I159 HydrophobicContact CE1-CD1 4.1Å; S155-I159 PolarHBondContact O-N 2.93Å; L156-I159 PolarHBondContact O-N 3.43Å; I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 2.65Å; I159-L162 HydrophobicContact CD1-CD1 4.46Å; I159-L162 WeakPolarHBondContact O-CB 3.41Å; I159-L162 PolarHBondContact O-N 3.49Å; I159-L162 VanDerWaalsContact O-N 3.15Å; I159-V163 PolarHBondContact O-N 3.49Å; I159-V163 VanDerWaalsContact O-N 3.13Å; I159-L174 HydrophobicContact CG2-CD1 4.13Å; I159-L174 HydrophobicContact CG2-CD2 4.19Å; I159-I179 HydrophobicContact CG1-CD1 4.28Å; I159-I179 HydrophobicContact CG2-CD1 4.09Å; I159-I179 HydrophobicContact CG2-CG1 4.05Å; I159-I201 HydrophobicContact CB-CD1 3.97Å; I159-I201 HydrophobicContact CG2-CD1 3.89Å; I159-I201 HydrophobicContact CG2-CG1 4.28Å; I159-I201 HydrophobicContact CG2-CG2 4.03Å |
| 160 | G | 98.3 | Very high | 97.5 | Very high | 6 Ų | 6 | 28.3 Ų | 28.3 | 6% | 0.062 | 15% | 0.146 | C | C | . | . | H | α-helix | trans | -58.6 | -38.6 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | L156 G157 V158 V163 K164 | L156-G160 WeakPolarHBondContact O-CA 3.31Å; L156-G160 PolarHBondContact O-N 3.42Å; G157-G160 PolarHBondContact O-N 3.47Å; V158-G160 VanDerWaalsContact C-N 3.35Å; V158-G160 PolarHBondContact O-N 3.15Å; G160-V163 WeakPolarHBondContact O-CG2 3.29Å; G160-K164 VanDerWaalsContact O-CB 3.26Å; G160-K164 WeakPolarHBondContact O-CB 3.2Å; G160-K164 PolarHBondContact O-N 2.86Å |
| 161 | A | 98 | Very high | 97.5 | Very high | 11 Ų | 11 | 26.9 Ų | 26.9 | 9% | 0.091 | 14% | 0.141 | C | C | . | . | H | α-helix | trans | -65.7 | -38.4 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | Q114 G157 V158 I159 | Q114-A161 HydrophobicContact CG-CB 3.61Å; G157-A161 WeakPolarHBondContact O-CB 3.36Å; G157-A161 PolarHBondContact O-N 2.92Å; V158-A161 WeakPolarHBondContact O-CB 3.46Å; V158-A161 PolarHBondContact O-N 3.37Å; I159-A161 VanDerWaalsContact C-N 3.27Å; I159-A161 PolarHBondContact O-N 2.65Å |
| 162 | L | 98.2 | Very high | 97.5 | Very high | 0 Ų | 0 | 29 Ų | 29 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -62.6 | -56 | 175.4 | -67.4 | 167.4 | 0 | 0 | 0 | 111.1 | A117 R123 F126 L127 P132 V158 I159 K164 T165 V170 | A117-L162 HydrophobicContact CB-CD2 3.64Å; A117-L162 HydrophobicContact CB-CG 3.88Å; R123-L162 HydrophobicContact CG-CD2 4.06Å; F126-L162 HydrophobicContact CD1-CD2 4.27Å; L127-L162 HydrophobicContact CD2-CD1 4.05Å; L127-L162 HydrophobicContact CD2-CD2 4.01Å; L127-L162 HydrophobicContact CG-CD2 4.24Å; P132-L162 HydrophobicContact CB-CD1 4.25Å; P132-L162 HydrophobicContact CG-CD1 3.64Å; V158-L162 PolarHBondContact O-N 2.87Å; I159-L162 HydrophobicContact CD1-CD1 4.46Å; I159-L162 WeakPolarHBondContact O-CB 3.41Å; I159-L162 PolarHBondContact O-N 3.49Å; I159-L162 VanDerWaalsContact O-N 3.15Å; L162-K164 PolarHBondContact O-N 3.29Å; L162-T165 WeakPolarHBondContact O-CB 3.25Å; L162-T165 PolarHBondContact O-N 2.93Å; L162-T165 VanDerWaalsContact O-N 3.14Å; L162-T165 PolarHBondContact O-OG1 3.25Å; L162-V170 HydrophobicContact CB-CG1 3.7Å |
| 163 | V | 98.1 | Very high | 97.4 | Very high | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.006 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -69.5 | -20.5 | -175.1 | -60.1 | 0 | 0 | 0 | 0 | 113.4 | I159 G160 T165 D166 V170 I171 L174 F200 I201 K204 | I159-V163 PolarHBondContact O-N 3.49Å; I159-V163 VanDerWaalsContact O-N 3.13Å; G160-V163 WeakPolarHBondContact O-CG2 3.29Å; V163-T165 PolarHBondContact O-N 3.43Å; V163-D166 PolarHBondContact O-N 2.88Å; V163-V170 HydrophobicContact CG1-CG1 4.09Å; V163-I171 HydrophobicContact CG1-CD1 4.23Å; V163-L174 HydrophobicContact CG1-CD1 3.19Å; V163-F200 HydrophobicContact CG2-CE1 4.03Å; V163-I201 HydrophobicContact CG1-CG2 4.38Å; V163-I201 HydrophobicContact CG2-CB 4.45Å; V163-I201 HydrophobicContact CG2-CG1 4.04Å; V163-K204 HydrophobicContact CB-CB 3.75Å; V163-K204 HydrophobicContact CB-CG 4.24Å; V163-K204 HydrophobicContact CG2-CB 3.9Å; V163-K204 HydrophobicContact CG2-CG 4.03Å; V163-K204 WeakPolarHBondContact O-CD 3.32Å |
| 164 | K | 97 | Very high | 97.4 | Very high | 78 Ų | 78 | 29.2 Ų | 29.2 | 34% | 0.339 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.4 | -23.5 | 174.6 | -178.6 | 174 | 175.8 | -176.1 | 0 | 112.2 | A18 G160 L162 D166 F200 | A18-K164 PolarHBondContact O-NZ 2.92Å; G160-K164 VanDerWaalsContact O-CB 3.26Å; G160-K164 WeakPolarHBondContact O-CB 3.2Å; G160-K164 PolarHBondContact O-N 2.86Å; L162-K164 PolarHBondContact O-N 3.29Å; K164-D166 VanDerWaalsContact C-N 3.29Å; K164-D166 PolarHBondContact O-N 3.42Å; K164-F200 HydrophobicContact CB-CE1 4.47Å; K164-F200 HydrophobicContact CB-CZ 4.14Å; K164-F200 HydrophobicContact CG-CZ 4.47Å |
| 165 | T | 95.2 | Very high | 97.3 | Very high | 41 Ų | 41 | 29.4 Ų | 29.4 | 25% | 0.252 | 16% | 0.156 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80.4 | -8 | -175.6 | 70.4 | 0 | 0 | 0 | 0 | 115.1 | R123 L162 V163 E167 | R123-T165 VanDerWaalsContact NH1-CG2 3.27Å; R123-T165 PolarHBondContact NH1-OG1 2.98Å; L162-T165 WeakPolarHBondContact O-CB 3.25Å; L162-T165 PolarHBondContact O-N 2.93Å; L162-T165 VanDerWaalsContact O-N 3.14Å; L162-T165 PolarHBondContact O-OG1 3.25Å; V163-T165 PolarHBondContact O-N 3.43Å; T165-E167 PolarHBondContact O-N 2.85Å |
| 166 | D | 94.7 | Very high | 97.2 | Very high | 103 Ų | 103 | 35.6 Ų | 35.6 | 55% | 0.551 | 19% | 0.189 | S | C | * | . | trans | 60.2 | 21.9 | 176 | -60.8 | -44 | 0 | 0 | 0 | 114.7 | V163 K164 K204 | V163-D166 PolarHBondContact O-N 2.88Å; K164-D166 VanDerWaalsContact C-N 3.29Å; K164-D166 PolarHBondContact O-N 3.42Å; D166-K204 VanDerWaalsContact OD1-CD 3.29Å; D166-K204 WeakPolarHBondContact OD1-CD 3.39Å; D166-K204 WeakPolarHBondContact OD1-CE 3.41Å; D166-K204 IonicContact OD1-NZ 2.59Å; D166-K204 PolarHBondContact OD1-NZ 2.91Å; D166-K204 IonicContact OD2-NZ 2.81Å; D166-K204 PolarHBondContact OD2-NZ 3.47Å | ||
| 167 | E | 95.9 | Very high | 97 | Very high | 72 Ų | 72 | 36.7 Ų | 36.7 | 34% | 0.336 | 20% | 0.196 | S | C | . | . | trans | -82.9 | 133.2 | 175.1 | -74.2 | -175.4 | -178.1 | 0 | 0 | 112.6 | R123 T165 D169 V170 I171 | R123-E167 IonicContact CZ-OE1 3.71Å; R123-E167 IonicContact CZ-OE2 3.78Å; R123-E167 IonicContact NE-OE2 3.44Å; R123-E167 IonicContact NH1-OE1 2.69Å; R123-E167 PolarHBondContact NH1-OE1 3.47Å; R123-E167 IonicContact NH1-OE2 2.63Å; R123-E167 PolarHBondContact NH1-OE2 3.3Å; R123-E167 VanDerWaalsContact NH2-CD 3.32Å; R123-E167 IonicContact NH2-OE1 2.76Å; R123-E167 PolarHBondContact NH2-OE1 3.34Å; R123-E167 IonicContact NH2-OE2 3.55Å; R123-E167 PolarHBondContact NH2-OE2 2.91Å; T165-E167 PolarHBondContact O-N 2.85Å; E167-D169 VanDerWaalsContact C-N 3.31Å; E167-D169 PolarHBondContact O-N 3.38Å; E167-V170 HydrophobicContact CB-CG2 3.98Å; E167-V170 WeakPolarHBondContact O-CB 3.49Å; E167-V170 PolarHBondContact O-N 3.22Å; E167-I171 PolarHBondContact O-N 3.2Å | ||
| 168 | H | 96.3 | Very high | 96.7 | Very high | 89 Ų | 89 | 41.9 Ų | 41.9 | 41% | 0.412 | 22% | 0.219 | S | C | . | . | H | α-helix | trans | -59.4 | -40.2 | 179.6 | -178.3 | 61 | 0 | 0 | 0 | 112.7 | V170 I171 S172 D208 T210 | H168-V170 VanDerWaalsContact C-N 3.26Å; H168-V170 PolarHBondContact O-N 3.13Å; H168-I171 PolarHBondContact O-N 3.15Å; H168-S172 PolarHBondContact O-N 3.49Å; H168-D208 IonicContact CE1-OD2 3.65Å; H168-D208 IonicContact CG-OD2 3.81Å; H168-D208 IonicContact ND1-OD1 2.96Å; H168-D208 IonicContact ND1-OD2 2.65Å; H168-D208 PolarHBondContact ND1-OD2 3.28Å; H168-T210 PolarHBondContact CE1-OG1 3.46Å; H168-T210 VanDerWaalsContact CE1-OG1 3.3Å |
| 169 | D | 96.2 | Very high | 96.7 | Very high | 118 Ų | 118 | 41.9 Ų | 41.9 | 63% | 0.631 | 22% | 0.219 | S | C | * | . | H | α-helix | trans | -62.5 | -33.1 | -179.9 | -66.2 | -18.2 | 0 | 0 | 0 | 112.5 | E167 F173 | E167-D169 VanDerWaalsContact C-N 3.31Å; E167-D169 PolarHBondContact O-N 3.38Å; D169-F173 VanDerWaalsContact O-CB 3.32Å; D169-F173 WeakPolarHBondContact O-CB 3.39Å; D169-F173 PolarHBondContact O-N 3.27Å |
| 170 | V | 97.7 | Very high | 96.6 | Very high | 0 Ų | 0 | 42.6 Ų | 42.6 | 0% | 0 | 22% | 0.222 | C | C | . | . | H | α-helix | trans | -63.1 | -47.5 | 172.8 | 174.2 | 0 | 0 | 0 | 0 | 110.1 | L127 L162 V163 E167 H168 F173 L174 | L127-V170 HydrophobicContact CD1-CB 4.38Å; L127-V170 HydrophobicContact CD1-CG2 3.65Å; L162-V170 HydrophobicContact CB-CG1 3.7Å; V163-V170 HydrophobicContact CG1-CG1 4.09Å; E167-V170 HydrophobicContact CB-CG2 3.98Å; E167-V170 WeakPolarHBondContact O-CB 3.49Å; E167-V170 PolarHBondContact O-N 3.22Å; H168-V170 VanDerWaalsContact C-N 3.26Å; H168-V170 PolarHBondContact O-N 3.13Å; V170-F173 PolarHBondContact O-N 3.47Å; V170-L174 HydrophobicContact CG1-CD1 4.06Å; V170-L174 HydrophobicContact CG1-CG 4.47Å; V170-L174 WeakPolarHBondContact O-CB 3.45Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 2.98Å |
| 171 | I | 97.9 | Very high | 96.6 | Very high | 5 Ų | 5 | 44.9 Ų | 44.9 | 3% | 0.026 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -65.6 | -47.1 | -178.7 | -56.7 | -52.8 | 0 | 0 | 0 | 110.1 | V163 E167 H168 F173 L174 L175 I205 D208 | V163-I171 HydrophobicContact CG1-CD1 4.23Å; E167-I171 PolarHBondContact O-N 3.2Å; H168-I171 PolarHBondContact O-N 3.15Å; I171-F173 VanDerWaalsContact C-N 3.31Å; I171-F173 PolarHBondContact O-N 2.94Å; I171-L174 PolarHBondContact O-N 3.04Å; I171-L174 VanDerWaalsContact O-N 3.12Å; I171-L175 HydrophobicContact CG2-CD1 3.97Å; I171-L175 HydrophobicContact CG2-CG 4.12Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 3.39Å; I171-L175 PolarHBondContact O-N 3.09Å; I171-I205 HydrophobicContact CD1-CG1 4.28Å; I171-D208 HydrophobicContact CB-CB 4.25Å; I171-D208 HydrophobicContact CG1-CB 3.89Å; I171-D208 HydrophobicContact CG2-CB 3.9Å |
| 172 | S | 96.8 | Very high | 96.6 | Very high | 45 Ų | 45 | 45 Ų | 45 | 32% | 0.315 | 24% | 0.235 | S | C | . | . | H | α-helix | trans | -56 | -45 | 176.7 | -175.9 | 0 | 0 | 0 | 0 | 111.9 | H168 N176 | H168-S172 PolarHBondContact O-N 3.49Å; S172-N176 PolarHBondContact O-N 3.45Å; S172-N176 PolarHBondContact O-ND2 3.43Å |
| 173 | F | 97.2 | Very high | 96.6 | Very high | 31 Ų | 31 | 45 Ų | 45 | 14% | 0.136 | 24% | 0.235 | C | C | . | . | H | α-helix | trans | -58.4 | -50.8 | 173.7 | 170.3 | -93.6 | 0 | 0 | 0 | 111.9 | L127 K130 P132 I133 D169 V170 I171 L175 N176 T177 | L127-F173 HydrophobicContact CD2-CB 4.4Å; L127-F173 HydrophobicContact CD2-CD1 3.7Å; L127-F173 HydrophobicContact CD2-CE1 4.11Å; L127-F173 HydrophobicContact CD2-CG 3.99Å; K130-F173 HydrophobicContact CB-CE2 4.28Å; K130-F173 HydrophobicContact CG-CE2 4.17Å; P132-F173 HydrophobicContact CB-CE1 3.8Å; P132-F173 HydrophobicContact CB-CZ 4.11Å; P132-F173 HydrophobicContact CG-CE1 3.76Å; P132-F173 HydrophobicContact CG-CZ 4.01Å; I133-F173 HydrophobicContact CD1-CE2 4.48Å; I133-F173 HydrophobicContact CD1-CZ 4.3Å; I133-F173 HydrophobicContact CG1-CZ 3.93Å; D169-F173 VanDerWaalsContact O-CB 3.32Å; D169-F173 WeakPolarHBondContact O-CB 3.39Å; D169-F173 PolarHBondContact O-N 3.27Å; V170-F173 PolarHBondContact O-N 3.47Å; I171-F173 VanDerWaalsContact C-N 3.31Å; I171-F173 PolarHBondContact O-N 2.94Å; F173-L175 PolarHBondContact O-N 2.92Å; F173-N176 PolarHBondContact O-N 3.37Å; F173-N176 VanDerWaalsContact O-N 3.14Å; F173-T177 HydrophobicContact CE1-CG2 4.24Å; F173-T177 HydrophobicContact CE2-CG2 4.13Å; F173-T177 HydrophobicContact CZ-CG2 3.99Å; F173-T177 WeakPolarHBondContact O-CG2 3.49Å; F173-T177 PolarHBondContact O-OG1 2.74Å |
| 174 | L | 97.7 | Very high | 96.6 | Very high | 1 Ų | 1 | 45.3 Ų | 45.3 | 1% | 0.005 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -66.6 | -34.7 | -175.2 | -76.5 | -176.8 | 0 | 0 | 0 | 114.1 | Y136 I159 V163 V170 I171 N176 T177 I179 | Y136-L174 WeakPolarHBondContact OH-CD2 3.24Å; I159-L174 HydrophobicContact CG2-CD1 4.13Å; I159-L174 HydrophobicContact CG2-CD2 4.19Å; V163-L174 HydrophobicContact CG1-CD1 3.19Å; V170-L174 HydrophobicContact CG1-CD1 4.06Å; V170-L174 HydrophobicContact CG1-CG 4.47Å; V170-L174 WeakPolarHBondContact O-CB 3.45Å; V170-L174 VanDerWaalsContact O-CG 3.31Å; V170-L174 WeakPolarHBondContact O-CG 3.48Å; V170-L174 PolarHBondContact O-N 2.98Å; I171-L174 PolarHBondContact O-N 3.04Å; I171-L174 VanDerWaalsContact O-N 3.12Å; L174-N176 PolarHBondContact O-N 2.92Å; L174-T177 WeakPolarHBondContact CA-OG1 3.48Å; L174-T177 PolarHBondContact O-N 3.29Å; L174-T177 PolarHBondContact O-OG1 3.25Å; L174-I179 HydrophobicContact CB-CG2 3.81Å; L174-I179 HydrophobicContact CD2-CB 4.23Å; L174-I179 HydrophobicContact CD2-CG1 4.32Å; L174-I179 HydrophobicContact CD2-CG2 4.32Å; L174-I179 HydrophobicContact CG-CG2 4.45Å; L174-I179 WeakPolarHBondContact O-CG2 3.17Å |
| 175 | L | 96.4 | Very high | 96.6 | Very high | 11 Ų | 11 | 45.3 Ų | 45.3 | 6% | 0.058 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -63.3 | -29.9 | 174.8 | -69.8 | 177.7 | 0 | 0 | 0 | 112 | I171 F173 T177 I180 I205 T210 Y214 | I171-L175 HydrophobicContact CG2-CD1 3.97Å; I171-L175 HydrophobicContact CG2-CG 4.12Å; I171-L175 VanDerWaalsContact O-CG 3.3Å; I171-L175 WeakPolarHBondContact O-CG 3.39Å; I171-L175 PolarHBondContact O-N 3.09Å; F173-L175 PolarHBondContact O-N 2.92Å; L175-T177 VanDerWaalsContact C-N 3.35Å; L175-I180 HydrophobicContact CD2-CD1 3.69Å; L175-I205 HydrophobicContact CD2-CG2 3.77Å; L175-T210 HydrophobicContact CD1-CG2 3.84Å; L175-Y214 HydrophobicContact CD1-CG 4.48Å; L175-Y214 HydrophobicContact CD2-CD1 3.75Å; L175-Y214 HydrophobicContact CD2-CE1 4.33Å; L175-Y214 HydrophobicContact CD2-CG 3.86Å |
| 176 | N | 95.3 | Very high | 96.8 | Very high | 129 Ų | 129 | 43.5 Ų | 43.5 | 69% | 0.69 | 23% | 0.225 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -87.6 | 1.3 | -179.3 | -69.1 | -45.2 | 0 | 0 | 0 | 114 | S172 F173 L174 | S172-N176 PolarHBondContact O-N 3.45Å; S172-N176 PolarHBondContact O-ND2 3.43Å; F173-N176 PolarHBondContact O-N 3.37Å; F173-N176 VanDerWaalsContact O-N 3.14Å; L174-N176 PolarHBondContact O-N 2.92Å |
| 177 | T | 94.7 | Very high | 96.9 | Very high | 24 Ų | 24 | 38.6 Ų | 38.6 | 15% | 0.147 | 20% | 0.199 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -120.2 | 4.3 | -172.7 | 55.7 | 0 | 0 | 0 | 0 | 115.3 | I133 Y136 F173 L174 L175 | I133-T177 HydrophobicContact CD1-CG2 3.81Å; I133-T177 HydrophobicContact CG1-CG2 4.03Å; Y136-T177 WeakPolarHBondContact CE2-O 3.43Å; Y136-T177 PolarHBondContact OH-OG1 3.31Å; F173-T177 HydrophobicContact CE1-CG2 4.24Å; F173-T177 HydrophobicContact CE2-CG2 4.13Å; F173-T177 HydrophobicContact CZ-CG2 3.99Å; F173-T177 WeakPolarHBondContact O-CG2 3.49Å; F173-T177 PolarHBondContact O-OG1 2.74Å; L174-T177 WeakPolarHBondContact CA-OG1 3.48Å; L174-T177 PolarHBondContact O-N 3.29Å; L174-T177 PolarHBondContact O-OG1 3.25Å; L175-T177 VanDerWaalsContact C-N 3.35Å |
| 178 | E | 92.7 | Very high | 96.9 | Very high | 115 Ų | 115 | 39.7 Ų | 39.7 | 54% | 0.537 | 20% | 0.204 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 71.3 | 30.3 | -177.8 | -56.5 | -67.7 | 161 | 0 | 0 | 114.7 | I180 P181 L182 | E178-I180 VanDerWaalsContact C-N 3.3Å; E178-I180 PolarHBondContact O-N 3.01Å; E178-P181 WeakPolarHBondContact O-CD 3.47Å; E178-P181 WeakPolarHBondContact OE2-CG 3.45Å; E178-L182 WeakPolarHBondContact O-CG 3.31Å |
| 179 | I | 97.6 | Very high | 96.8 | Very high | 0 Ų | 0 | 38.9 Ų | 38.9 | 0% | 0 | 21% | 0.209 | C | C | . | . | H | α-helix | trans | -67.1 | -32.4 | 176.4 | -164.9 | 55.4 | 0 | 0 | 0 | 112.8 | Y136 L139 I159 L174 L182 C183 I201 I205 | Y136-I179 HydrophobicContact CE1-CD1 4.11Å; Y136-I179 HydrophobicContact CE2-CB 4.47Å; Y136-I179 HydrophobicContact CE2-CD1 4.39Å; L139-I179 HydrophobicContact CD1-CD1 3.8Å; I159-I179 HydrophobicContact CG1-CD1 4.28Å; I159-I179 HydrophobicContact CG2-CD1 4.09Å; I159-I179 HydrophobicContact CG2-CG1 4.05Å; L174-I179 HydrophobicContact CB-CG2 3.81Å; L174-I179 HydrophobicContact CD2-CB 4.23Å; L174-I179 HydrophobicContact CD2-CG1 4.32Å; L174-I179 HydrophobicContact CD2-CG2 4.32Å; L174-I179 HydrophobicContact CG-CG2 4.45Å; L174-I179 WeakPolarHBondContact O-CG2 3.17Å; I179-L182 HydrophobicContact CD1-CD1 4.48Å; I179-L182 WeakPolarHBondContact O-CB 3.38Å; I179-L182 PolarHBondContact O-N 3.32Å; I179-C183 PolarHBondContact O-N 3.17Å; I179-C183 PolarHBondContact O-SG 3.37Å; I179-I201 HydrophobicContact CG1-CG2 4.42Å; I179-I205 HydrophobicContact CG2-CD1 3.63Å |
| 180 | I | 98 | Very high | 96.7 | Very high | 15 Ų | 15 | 33.7 Ų | 33.7 | 8% | 0.077 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -63.2 | -53.2 | -173.2 | -68.1 | 166.2 | 0 | 0 | 0 | 110.6 | L175 E178 L182 C183 L184 L202 I205 Y214 I215 V225 | L175-I180 HydrophobicContact CD2-CD1 3.69Å; E178-I180 VanDerWaalsContact C-N 3.3Å; E178-I180 PolarHBondContact O-N 3.01Å; I180-L182 PolarHBondContact O-N 2.75Å; I180-C183 PolarHBondContact O-N 3.11Å; I180-C183 VanDerWaalsContact O-N 3.17Å; I180-L184 HydrophobicContact CG2-CD1 3.93Å; I180-L184 HydrophobicContact CG2-CG 4.22Å; I180-L184 WeakPolarHBondContact O-CG 3.36Å; I180-L184 PolarHBondContact O-N 3.2Å; I180-L202 HydrophobicContact CG2-CD1 4.3Å; I180-I205 HydrophobicContact CD1-CG2 4.21Å; I180-I205 HydrophobicContact CG1-CD1 3.99Å; I180-Y214 HydrophobicContact CD1-CD1 3.75Å; I180-Y214 HydrophobicContact CD1-CE1 3.71Å; I180-I215 HydrophobicContact CD1-CD1 4.11Å; I180-I215 HydrophobicContact CD1-CG1 3.93Å; I180-V225 HydrophobicContact CG2-CG2 4.49Å |
| 181 | P | 97.5 | Very high | 96.6 | Very high | 53 Ų | 53 | 36.7 Ų | 36.7 | 34% | 0.344 | 20% | 0.202 | S | C | . | . | H | α-helix | trans | -57.2 | -36.9 | 176.4 | -27.4 | 36.4 | 0 | 0 | 0 | 113.6 | E178 L184 K185 | E178-P181 WeakPolarHBondContact O-CD 3.47Å; E178-P181 WeakPolarHBondContact OE2-CG 3.45Å; P181-L184 PolarHBondContact O-N 3.18Å; P181-K185 WeakPolarHBondContact O-CB 3.42Å; P181-K185 PolarHBondContact O-N 3.13Å |
| 182 | L | 97.8 | Very high | 96.5 | Very high | 14 Ų | 14 | 40.8 Ų | 40.8 | 7% | 0.073 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -64.7 | -45.8 | 177.1 | -62.4 | 175.8 | 0 | 0 | 0 | 111.7 | Y136 L139 L140 E178 I179 I180 K185 I186 | Y136-L182 HydrophobicContact CD1-CD1 4.45Å; Y136-L182 HydrophobicContact CD2-CD1 3.37Å; Y136-L182 HydrophobicContact CE2-CD1 3.87Å; Y136-L182 HydrophobicContact CG-CD1 3.69Å; L139-L182 HydrophobicContact CB-CB 4.3Å; L139-L182 HydrophobicContact CB-CD1 4.23Å; L139-L182 HydrophobicContact CB-CD2 4.45Å; L139-L182 HydrophobicContact CD1-CB 4.39Å; L139-L182 HydrophobicContact CD1-CD1 4.12Å; L140-L182 HydrophobicContact CD2-CD2 3.34Å; L140-L182 HydrophobicContact CG-CD2 3.64Å; E178-L182 WeakPolarHBondContact O-CG 3.31Å; I179-L182 HydrophobicContact CD1-CD1 4.48Å; I179-L182 WeakPolarHBondContact O-CB 3.38Å; I179-L182 PolarHBondContact O-N 3.32Å; I180-L182 PolarHBondContact O-N 2.75Å; L182-K185 PolarHBondContact O-N 3.07Å; L182-I186 WeakPolarHBondContact O-CG1 3.24Å; L182-I186 PolarHBondContact O-N 3.05Å; L182-I186 VanDerWaalsContact O-N 3.17Å |
| 183 | C | 98.3 | Very high | 96.4 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | H | α-helix | trans | -62.6 | -44.9 | 175.5 | -73.1 | 0 | 0 | 0 | 0 | 111.5 | I179 I180 K185 I186 M187 A198 | I179-C183 PolarHBondContact O-N 3.17Å; I179-C183 PolarHBondContact O-SG 3.37Å; I180-C183 PolarHBondContact O-N 3.11Å; I180-C183 VanDerWaalsContact O-N 3.17Å; C183-K185 PolarHBondContact O-N 3.27Å; C183-I186 PolarHBondContact O-N 3.08Å; C183-M187 VanDerWaalsContact O-CG 3.24Å; C183-M187 WeakPolarHBondContact O-CG 3.47Å; C183-M187 PolarHBondContact O-N 2.82Å; C183-A198 HydrophobicContact CB-CB 4.2Å |
| 184 | L | 98.3 | Very high | 96.4 | Very high | 8 Ų | 8 | 40 Ų | 40 | 4% | 0.042 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61 | -42.6 | 179.1 | -67.8 | 179.4 | 0 | 0 | 0 | 112.2 | I180 P181 I186 M187 E188 L202 Q224 V225 V228 | I180-L184 HydrophobicContact CG2-CD1 3.93Å; I180-L184 HydrophobicContact CG2-CG 4.22Å; I180-L184 WeakPolarHBondContact O-CG 3.36Å; I180-L184 PolarHBondContact O-N 3.2Å; P181-L184 PolarHBondContact O-N 3.18Å; L184-I186 VanDerWaalsContact C-N 3.35Å; L184-I186 PolarHBondContact O-N 3.5Å; L184-M187 HydrophobicContact CD2-SD 4.15Å; L184-M187 WeakPolarHBondContact O-CB 3.43Å; L184-M187 PolarHBondContact O-N 3.31Å; L184-E188 PolarHBondContact O-N 3.16Å; L184-L202 HydrophobicContact CD2-CD2 3.78Å; L184-Q224 HydrophobicContact CD1-CB 4.17Å; L184-V225 HydrophobicContact CD1-CG2 3.97Å; L184-V225 HydrophobicContact CD2-CG2 4.23Å; L184-V228 HydrophobicContact CB-CG1 4.43Å; L184-V228 HydrophobicContact CB-CG2 4.14Å; L184-V228 HydrophobicContact CD2-CB 3.94Å; L184-V228 HydrophobicContact CD2-CG1 3.98Å; L184-V228 HydrophobicContact CD2-CG2 4.2Å |
| 185 | K | 97.6 | Very high | 96.5 | Very high | 78 Ų | 78 | 40.6 Ų | 40.6 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -60 | -43.3 | 175.3 | -173.7 | -178.8 | -178.9 | -172.4 | 0 | 112 | L140 P181 L182 C183 E188 S189 | L140-K185 PolarHBondContact O-NZ 3.07Å; P181-K185 WeakPolarHBondContact O-CB 3.42Å; P181-K185 PolarHBondContact O-N 3.13Å; L182-K185 PolarHBondContact O-N 3.07Å; C183-K185 PolarHBondContact O-N 3.27Å; K185-E188 PolarHBondContact O-N 3.15Å; K185-S189 PolarHBondContact O-N 3.08Å; K185-S189 VanDerWaalsContact O-N 3.16Å; K185-S189 PolarHBondContact O-OG 3.09Å |
| 186 | I | 97.5 | Very high | 96.5 | Very high | 3 Ų | 3 | 40.2 Ų | 40.2 | 2% | 0.015 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -70.8 | -36 | 178.3 | -64 | 167.5 | 0 | 0 | 0 | 111.5 | L139 L156 L182 C183 L184 E188 G190 A198 | L139-I186 HydrophobicContact CB-CD1 4.14Å; L139-I186 HydrophobicContact CD2-CD1 3.82Å; L156-I186 HydrophobicContact CD1-CD1 3.96Å; L156-I186 HydrophobicContact CD1-CG2 3.94Å; L156-I186 HydrophobicContact CD2-CD1 4.1Å; L156-I186 HydrophobicContact CG-CD1 4.18Å; L182-I186 WeakPolarHBondContact O-CG1 3.24Å; L182-I186 PolarHBondContact O-N 3.05Å; L182-I186 VanDerWaalsContact O-N 3.17Å; C183-I186 PolarHBondContact O-N 3.08Å; L184-I186 VanDerWaalsContact C-N 3.35Å; L184-I186 PolarHBondContact O-N 3.5Å; I186-E188 PolarHBondContact O-N 2.94Å; I186-G190 WeakPolarHBondContact O-CA 3.25Å; I186-G190 PolarHBondContact O-N 3.17Å; I186-A198 HydrophobicContact CB-CB 4.29Å; I186-A198 HydrophobicContact CG2-CB 4.21Å |
| 187 | M | 97.9 | Very high | 96.7 | Very high | 0 Ų | 0 | 34.5 Ų | 34.5 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -59.8 | -36.5 | 172.6 | -72.5 | 169 | 62.8 | 0 | 0 | 111.5 | C183 L184 K195 A198 T199 L202 V228 L229 | C183-M187 VanDerWaalsContact O-CG 3.24Å; C183-M187 WeakPolarHBondContact O-CG 3.47Å; C183-M187 PolarHBondContact O-N 2.82Å; L184-M187 HydrophobicContact CD2-SD 4.15Å; L184-M187 WeakPolarHBondContact O-CB 3.43Å; L184-M187 PolarHBondContact O-N 3.31Å; M187-K195 WeakPolarHBondContact O-CE 3.33Å; M187-K195 WeakPolarHBondContact O-CG 3.37Å; M187-K195 PolarHBondContact O-NZ 2.7Å; M187-K195 VanDerWaalsContact O-NZ 3.14Å; M187-A198 HydrophobicContact CG-CB 3.72Å; M187-T199 HydrophobicContact CE-CG2 4Å; M187-T199 WeakPolarHBondContact CE-OG1 3.47Å; M187-L202 HydrophobicContact CE-CD2 3.93Å; M187-L202 HydrophobicContact SD-CB 4.41Å; M187-L202 HydrophobicContact SD-CD2 3.8Å; M187-V228 HydrophobicContact CB-CG1 3.66Å; M187-V228 HydrophobicContact CE-CG1 4.05Å; M187-L229 HydrophobicContact CE-CD2 3.79Å |
| 188 | E | 96.3 | Very high | 96.9 | Very high | 94 Ų | 94 | 33.3 Ų | 33.3 | 44% | 0.439 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -70.8 | -52.4 | 178.1 | -170.6 | 168.5 | -139.5 | 0 | 0 | 112.2 | L184 K185 I186 K195 K231 | L184-E188 PolarHBondContact O-N 3.16Å; K185-E188 PolarHBondContact O-N 3.15Å; I186-E188 PolarHBondContact O-N 2.94Å; E188-K195 PolarHBondContact O-NZ 3.5Å; E188-K231 HydrophobicContact CG-CD 4.47Å; E188-K231 WeakPolarHBondContact OE1-CD 3.49Å; E188-K231 IonicContact OE1-NZ 3.68Å; E188-K231 PolarHBondContact OE1-NZ 3.06Å |
| 189 | S | 93.9 | Very high | 97.2 | Very high | 73 Ų | 73 | 27.9 Ų | 27.9 | 51% | 0.51 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -116 | -3 | -166.8 | 76.8 | 0 | 0 | 0 | 0 | 116.5 | K185 | K185-S189 PolarHBondContact O-N 3.08Å; K185-S189 VanDerWaalsContact O-N 3.16Å; K185-S189 PolarHBondContact O-OG 3.09Å |
| 190 | G | 94.4 | Very high | 97.2 | Very high | 9 Ų | 9 | 29.7 Ų | 29.7 | 9% | 0.093 | 16% | 0.16 | C | C | . | . | S | Bend | trans | -78.8 | 172.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | I186 K195 | I186-G190 WeakPolarHBondContact O-CA 3.25Å; I186-G190 PolarHBondContact O-N 3.17Å; G190-K195 PolarHBondContact O-NZ 3.5Å |
| 191 | T | 95.2 | Very high | 97.3 | Very high | 63 Ų | 63 | 29 Ų | 29 | 39% | 0.387 | 16% | 0.156 | S | C | . | . | trans | -60.9 | 158.2 | 168.2 | 53.1 | 0 | 0 | 0 | 0 | 112 | E149 L193 S194 K195 | E149-T191 HydrophobicContact CG-CG2 4.2Å; E149-T191 WeakPolarHBondContact OE2-CG2 3.41Å; E149-T191 PolarHBondContact OE2-OG1 3.43Å; T191-L193 PolarHBondContact O-N 3.26Å; T191-S194 PolarHBondContact O-N 3.18Å; T191-S194 WeakPolarHBondContact OG1-CB 3.39Å; T191-S194 PolarHBondContact OG1-N 3.34Å; T191-S194 PolarHBondContact OG1-OG 3.37Å; T191-K195 WeakPolarHBondContact O-CG 3.29Å; T191-K195 PolarHBondContact O-N 3.45Å | ||
| 192 | E | 95.3 | Very high | 97.3 | Very high | 91 Ų | 91 | 26.5 Ų | 26.5 | 43% | 0.425 | 14% | 0.14 | S | C | . | . | H | α-helix | trans | -52 | -39.8 | 178.3 | -176.4 | -111.3 | 157.6 | 0 | 0 | 112.7 | K195 T196 S241 | E192-K195 WeakPolarHBondContact O-CB 3.37Å; E192-K195 PolarHBondContact O-N 3.19Å; E192-T196 WeakPolarHBondContact O-CB 3.41Å; E192-T196 PolarHBondContact O-N 2.81Å; E192-T196 PolarHBondContact O-OG1 3.35Å; E192-S241 VanDerWaalsContact OE1-CB 3.24Å; E192-S241 WeakPolarHBondContact OE1-CB 3.44Å; E192-S241 PolarHBondContact OE1-OG 2.94Å |
| 193 | L | 95.8 | Very high | 97.3 | Very high | 59 Ų | 59 | 26.2 Ų | 26.2 | 31% | 0.309 | 14% | 0.138 | S | C | . | . | H | α-helix | trans | -67.6 | -45.5 | 176.2 | -174.2 | 56.6 | 0 | 0 | 0 | 112.3 | A12 L153 T191 K195 T196 V197 | A12-L193 HydrophobicContact CB-CD2 3.94Å; L153-L193 HydrophobicContact CD1-CD2 4.28Å; L153-L193 HydrophobicContact CD1-CG 3.87Å; L153-L193 HydrophobicContact CD2-CD2 3.48Å; L153-L193 VanDerWaalsContact CD2-CD2 3.48Å; L153-L193 HydrophobicContact CD2-CG 3.99Å; T191-L193 PolarHBondContact O-N 3.26Å; L193-K195 PolarHBondContact O-N 2.94Å; L193-T196 WeakPolarHBondContact O-CB 3.4Å; L193-T196 PolarHBondContact O-N 3.37Å; L193-V197 WeakPolarHBondContact O-CG2 3.24Å; L193-V197 PolarHBondContact O-N 3.03Å |
| 194 | S | 96.8 | Very high | 97.4 | Very high | 0 Ų | 0 | 27.7 Ų | 27.7 | 0% | 0 | 15% | 0.145 | C | C | . | . | H | α-helix | trans | -63.5 | -40.4 | 175.7 | -68.1 | 0 | 0 | 0 | 0 | 112 | T191 T196 V197 A198 | T191-S194 PolarHBondContact O-N 3.18Å; T191-S194 WeakPolarHBondContact OG1-CB 3.39Å; T191-S194 PolarHBondContact OG1-N 3.34Å; T191-S194 PolarHBondContact OG1-OG 3.37Å; S194-T196 VanDerWaalsContact C-N 3.31Å; S194-T196 PolarHBondContact O-N 3.48Å; S194-V197 PolarHBondContact O-N 2.9Å; S194-A198 VanDerWaalsContact O-CB 3.3Å; S194-A198 WeakPolarHBondContact O-CB 3.32Å; S194-A198 PolarHBondContact O-N 2.82Å |
| 195 | K | 98.3 | Very high | 97.4 | Very high | 14 Ų | 14 | 27.3 Ų | 27.3 | 6% | 0.061 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -56.8 | -45.6 | 171.6 | -73.5 | 175.3 | 156.1 | 47.3 | 0 | 111 | M187 E188 G190 T191 E192 L193 T199 F235 L244 | M187-K195 WeakPolarHBondContact O-CE 3.33Å; M187-K195 WeakPolarHBondContact O-CG 3.37Å; M187-K195 PolarHBondContact O-NZ 2.7Å; M187-K195 VanDerWaalsContact O-NZ 3.14Å; E188-K195 PolarHBondContact O-NZ 3.5Å; G190-K195 PolarHBondContact O-NZ 3.5Å; T191-K195 WeakPolarHBondContact O-CG 3.29Å; T191-K195 PolarHBondContact O-N 3.45Å; E192-K195 WeakPolarHBondContact O-CB 3.37Å; E192-K195 PolarHBondContact O-N 3.19Å; L193-K195 PolarHBondContact O-N 2.94Å; K195-T199 VanDerWaalsContact O-CB 3.29Å; K195-T199 WeakPolarHBondContact O-CB 3.16Å; K195-T199 PolarHBondContact O-N 3.42Å; K195-T199 PolarHBondContact O-OG1 3.39Å; K195-F235 HydrophobicContact CD-CD1 4.26Å; K195-F235 HydrophobicContact CD-CE1 4.05Å; K195-F235 HydrophobicContact CD-CZ 4.48Å; K195-L244 HydrophobicContact CB-CD1 4.33Å; K195-L244 HydrophobicContact CB-CD2 3.99Å; K195-L244 HydrophobicContact CD-CD2 4.41Å |
| 196 | T | 98.3 | Very high | 97.4 | Very high | 2 Ų | 2 | 23.6 Ų | 23.6 | 1% | 0.012 | 13% | 0.126 | C | C | . | . | H | α-helix | trans | -60.7 | -48.3 | 179.1 | -61.6 | 0 | 0 | 0 | 0 | 111.8 | E192 L193 S194 T199 F200 R243 | E192-T196 WeakPolarHBondContact O-CB 3.41Å; E192-T196 PolarHBondContact O-N 2.81Å; E192-T196 PolarHBondContact O-OG1 3.35Å; L193-T196 WeakPolarHBondContact O-CB 3.4Å; L193-T196 PolarHBondContact O-N 3.37Å; S194-T196 VanDerWaalsContact C-N 3.31Å; S194-T196 PolarHBondContact O-N 3.48Å; T196-T199 PolarHBondContact O-N 2.87Å; T196-F200 WeakPolarHBondContact O-CB 3.47Å; T196-F200 PolarHBondContact O-N 3.15Å; T196-R243 HydrophobicContact CG2-CB 4.49Å; T196-R243 HydrophobicContact CG2-CG 3.73Å |
| 197 | V | 98.5 | Very high | 97.4 | Very high | 9 Ų | 9 | 26.6 Ų | 26.6 | 6% | 0.055 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -69.2 | -41.9 | -179.1 | -175.4 | 0 | 0 | 0 | 0 | 111.4 | L153 L156 L193 S194 T199 F200 I201 | L153-V197 HydrophobicContact CD1-CG2 3.93Å; L156-V197 HydrophobicContact CB-CB 4.31Å; L156-V197 HydrophobicContact CB-CG1 3.72Å; L156-V197 HydrophobicContact CD1-CB 4.48Å; L193-V197 WeakPolarHBondContact O-CG2 3.24Å; L193-V197 PolarHBondContact O-N 3.03Å; S194-V197 PolarHBondContact O-N 2.9Å; V197-T199 PolarHBondContact O-N 3.19Å; V197-F200 WeakPolarHBondContact O-CB 3.39Å; V197-F200 PolarHBondContact O-N 3.18Å; V197-I201 HydrophobicContact CG1-CD1 4.21Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 2.88Å |
| 198 | A | 98.7 | Very high | 97.4 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -63.3 | -41.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | L156 C183 I186 M187 S194 F200 I201 L202 | L156-A198 HydrophobicContact CD1-CB 4.16Å; L156-A198 HydrophobicContact CD2-CB 4.38Å; C183-A198 HydrophobicContact CB-CB 4.2Å; I186-A198 HydrophobicContact CB-CB 4.29Å; I186-A198 HydrophobicContact CG2-CB 4.21Å; M187-A198 HydrophobicContact CG-CB 3.72Å; S194-A198 VanDerWaalsContact O-CB 3.3Å; S194-A198 WeakPolarHBondContact O-CB 3.32Å; S194-A198 PolarHBondContact O-N 2.82Å; A198-F200 VanDerWaalsContact C-N 3.34Å; A198-I201 PolarHBondContact O-N 3.3Å; A198-L202 PolarHBondContact O-N 3.04Å |
| 199 | T | 98.6 | Very high | 97.5 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -66 | -38.1 | 175 | -49.6 | 0 | 0 | 0 | 0 | 111.2 | M187 K195 T196 V197 L202 Q203 L244 H247 V248 | M187-T199 HydrophobicContact CE-CG2 4Å; M187-T199 WeakPolarHBondContact CE-OG1 3.47Å; K195-T199 VanDerWaalsContact O-CB 3.29Å; K195-T199 WeakPolarHBondContact O-CB 3.16Å; K195-T199 PolarHBondContact O-N 3.42Å; K195-T199 PolarHBondContact O-OG1 3.39Å; T196-T199 PolarHBondContact O-N 2.87Å; V197-T199 PolarHBondContact O-N 3.19Å; T199-L202 PolarHBondContact O-N 2.62Å; T199-Q203 VanDerWaalsContact O-CB 3.27Å; T199-Q203 WeakPolarHBondContact O-CB 3.5Å; T199-Q203 PolarHBondContact O-N 3.38Å; T199-L244 HydrophobicContact CG2-CD1 4.24Å; T199-L244 VanDerWaalsContact OG1-CD1 3.27Å; T199-L244 WeakPolarHBondContact OG1-CD1 3.35Å; T199-H247 HydrophobicContact CG2-CB 3.59Å; T199-V248 HydrophobicContact CG2-CG2 3.89Å |
| 200 | F | 98.6 | Very high | 97.7 | Very high | 39 Ų | 39 | 27.6 Ų | 27.6 | 17% | 0.171 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.9 | -42.7 | 173.8 | 167 | -104.3 | 0 | 0 | 0 | 112.1 | V163 K164 T196 V197 A198 Q203 K204 H247 | V163-F200 HydrophobicContact CG2-CE1 4.03Å; K164-F200 HydrophobicContact CB-CE1 4.47Å; K164-F200 HydrophobicContact CB-CZ 4.14Å; K164-F200 HydrophobicContact CG-CZ 4.47Å; T196-F200 WeakPolarHBondContact O-CB 3.47Å; T196-F200 PolarHBondContact O-N 3.15Å; V197-F200 WeakPolarHBondContact O-CB 3.39Å; V197-F200 PolarHBondContact O-N 3.18Å; A198-F200 VanDerWaalsContact C-N 3.34Å; F200-Q203 WeakPolarHBondContact O-CB 3.44Å; F200-Q203 PolarHBondContact O-N 3.38Å; F200-K204 HydrophobicContact CD2-CG 4.3Å; F200-K204 HydrophobicContact CE1-CG 4.32Å; F200-K204 HydrophobicContact CE2-CD 4.29Å; F200-K204 HydrophobicContact CE2-CG 3.8Å; F200-K204 HydrophobicContact CZ-CD 4.37Å; F200-K204 HydrophobicContact CZ-CG 3.81Å; F200-K204 WeakPolarHBondContact O-CG 3.39Å; F200-K204 PolarHBondContact O-N 2.95Å; F200-H247 AromaticContact CD2-CE1 3.6Å |
| 201 | I | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 27.1 Ų | 27.1 | 0% | 0 | 14% | 0.142 | C | C | . | . | H | α-helix | trans | -62.4 | -49.6 | 176.1 | -67.5 | 159.6 | 0 | 0 | 0 | 110.5 | L156 I159 V163 I179 V197 A198 Q203 K204 I205 | L156-I201 HydrophobicContact CB-CD1 4.32Å; L156-I201 HydrophobicContact CD2-CD1 3.69Å; I159-I201 HydrophobicContact CB-CD1 3.97Å; I159-I201 HydrophobicContact CG2-CD1 3.89Å; I159-I201 HydrophobicContact CG2-CG1 4.28Å; I159-I201 HydrophobicContact CG2-CG2 4.03Å; V163-I201 HydrophobicContact CG1-CG2 4.38Å; V163-I201 HydrophobicContact CG2-CB 4.45Å; V163-I201 HydrophobicContact CG2-CG1 4.04Å; I179-I201 HydrophobicContact CG1-CG2 4.42Å; V197-I201 HydrophobicContact CG1-CD1 4.21Å; V197-I201 WeakPolarHBondContact O-CG1 3.47Å; V197-I201 PolarHBondContact O-N 2.88Å; A198-I201 PolarHBondContact O-N 3.3Å; I201-Q203 VanDerWaalsContact C-N 3.27Å; I201-Q203 PolarHBondContact O-N 3.26Å; I201-K204 PolarHBondContact O-N 3.07Å; I201-K204 VanDerWaalsContact O-N 3.14Å; I201-I205 HydrophobicContact CG2-CD1 4.06Å; I201-I205 WeakPolarHBondContact O-CG1 3.35Å; I201-I205 PolarHBondContact O-N 3.34Å |
| 202 | L | 98.7 | Very high | 98 | Very high | 0 Ų | 0 | 24.4 Ų | 24.4 | 0% | 0 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -58.3 | -41.4 | 176.5 | -178.6 | 65 | 0 | 0 | 0 | 111.7 | I180 L184 M187 A198 T199 K204 I205 L206 I215 V225 L229 | I180-L202 HydrophobicContact CG2-CD1 4.3Å; L184-L202 HydrophobicContact CD2-CD2 3.78Å; M187-L202 HydrophobicContact CE-CD2 3.93Å; M187-L202 HydrophobicContact SD-CB 4.41Å; M187-L202 HydrophobicContact SD-CD2 3.8Å; A198-L202 PolarHBondContact O-N 3.04Å; T199-L202 PolarHBondContact O-N 2.62Å; L202-K204 PolarHBondContact O-N 2.99Å; L202-I205 PolarHBondContact O-N 3.5Å; L202-L206 HydrophobicContact CG-CD1 4.26Å; L202-L206 WeakPolarHBondContact O-CG 3.44Å; L202-L206 PolarHBondContact O-N 3.17Å; L202-I215 HydrophobicContact CD1-CD1 3.97Å; L202-V225 HydrophobicContact CD1-CG2 4.47Å; L202-V225 HydrophobicContact CD2-CG1 4.2Å; L202-L229 HydrophobicContact CD2-CD2 4.45Å |
| 203 | Q | 98.5 | Very high | 98.1 | Very high | 9 Ų | 9 | 27.1 Ų | 27.1 | 4% | 0.042 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -61.3 | -43.9 | 176.6 | -167.8 | -146.1 | -60.3 | 0 | 0 | 111.4 | T199 F200 I201 L206 L207 H247 R250 C251 | T199-Q203 VanDerWaalsContact O-CB 3.27Å; T199-Q203 WeakPolarHBondContact O-CB 3.5Å; T199-Q203 PolarHBondContact O-N 3.38Å; F200-Q203 WeakPolarHBondContact O-CB 3.44Å; F200-Q203 PolarHBondContact O-N 3.38Å; I201-Q203 VanDerWaalsContact C-N 3.27Å; I201-Q203 PolarHBondContact O-N 3.26Å; Q203-L206 PolarHBondContact O-N 3.17Å; Q203-L207 WeakPolarHBondContact O-CG 3.48Å; Q203-L207 PolarHBondContact O-N 3.33Å; Q203-H247 PolarHBondContact OE1-ND1 2.78Å; Q203-R250 HydrophobicContact CG-CB 3.81Å; Q203-C251 VanDerWaalsContact CA-SG 3.57Å; Q203-C251 VanDerWaalsContact CB-SG 3.59Å |
| 204 | K | 98.5 | Very high | 98.2 | Very high | 31 Ų | 31 | 26.6 Ų | 26.6 | 14% | 0.135 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -65.3 | -39 | 178.1 | -76.1 | -71.5 | -170.1 | 169.7 | 0 | 111.9 | V163 D166 F200 I201 L202 L207 | V163-K204 HydrophobicContact CB-CB 3.75Å; V163-K204 HydrophobicContact CB-CG 4.24Å; V163-K204 HydrophobicContact CG2-CB 3.9Å; V163-K204 HydrophobicContact CG2-CG 4.03Å; V163-K204 WeakPolarHBondContact O-CD 3.32Å; D166-K204 VanDerWaalsContact OD1-CD 3.29Å; D166-K204 WeakPolarHBondContact OD1-CD 3.39Å; D166-K204 WeakPolarHBondContact OD1-CE 3.41Å; D166-K204 IonicContact OD1-NZ 2.59Å; D166-K204 PolarHBondContact OD1-NZ 2.91Å; D166-K204 IonicContact OD2-NZ 2.81Å; D166-K204 PolarHBondContact OD2-NZ 3.47Å; F200-K204 HydrophobicContact CD2-CG 4.3Å; F200-K204 HydrophobicContact CE1-CG 4.32Å; F200-K204 HydrophobicContact CE2-CD 4.29Å; F200-K204 HydrophobicContact CE2-CG 3.8Å; F200-K204 HydrophobicContact CZ-CD 4.37Å; F200-K204 HydrophobicContact CZ-CG 3.81Å; F200-K204 WeakPolarHBondContact O-CG 3.39Å; F200-K204 PolarHBondContact O-N 2.95Å; I201-K204 PolarHBondContact O-N 3.07Å; I201-K204 VanDerWaalsContact O-N 3.14Å; L202-K204 PolarHBondContact O-N 2.99Å; K204-L207 HydrophobicContact CD-CD1 4.39Å; K204-L207 PolarHBondContact O-N 3.45Å |
| 205 | I | 98.6 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.6 Ų | 26.6 | 0% | 0 | 13% | 0.127 | C | C | . | . | H | α-helix | trans | -60.5 | -46.9 | 172 | -66.4 | 168.1 | 0 | 0 | 0 | 110.9 | I171 L175 I179 I180 I201 L202 L207 D208 G211 I215 | I171-I205 HydrophobicContact CD1-CG1 4.28Å; L175-I205 HydrophobicContact CD2-CG2 3.77Å; I179-I205 HydrophobicContact CG2-CD1 3.63Å; I180-I205 HydrophobicContact CD1-CG2 4.21Å; I180-I205 HydrophobicContact CG1-CD1 3.99Å; I201-I205 HydrophobicContact CG2-CD1 4.06Å; I201-I205 WeakPolarHBondContact O-CG1 3.35Å; I201-I205 PolarHBondContact O-N 3.34Å; L202-I205 PolarHBondContact O-N 3.5Å; I205-L207 VanDerWaalsContact C-N 3.28Å; I205-L207 PolarHBondContact O-N 3.29Å; I205-D208 PolarHBondContact O-N 2.88Å; I205-G211 WeakPolarHBondContact O-CA 3.39Å; I205-I215 HydrophobicContact CG2-CD1 4.34Å |
| 206 | L | 98.4 | Very high | 98.3 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -63.5 | -32.1 | 178.9 | -79.2 | 168.2 | 0 | 0 | 0 | 113.1 | L202 Q203 D208 L212 I215 C251 R254 L255 | L202-L206 HydrophobicContact CG-CD1 4.26Å; L202-L206 WeakPolarHBondContact O-CG 3.44Å; L202-L206 PolarHBondContact O-N 3.17Å; Q203-L206 PolarHBondContact O-N 3.17Å; L206-D208 VanDerWaalsContact C-N 3.26Å; L206-D208 PolarHBondContact O-N 3.32Å; L206-L212 HydrophobicContact CD2-CD1 4.06Å; L206-I215 HydrophobicContact CD2-CB 4.39Å; L206-I215 HydrophobicContact CD2-CD1 3.48Å; L206-I215 VanDerWaalsContact CD2-CD1 3.48Å; L206-I215 HydrophobicContact CD2-CG2 4.41Å; L206-I215 HydrophobicContact CG-CD1 3.82Å; L206-C251 HydrophobicContact CD1-CB 3.68Å; L206-R254 HydrophobicContact CB-CB 4.38Å; L206-R254 HydrophobicContact CB-CG 3.94Å; L206-R254 WeakPolarHBondContact O-CD 3.5Å; L206-R254 WeakPolarHBondContact O-CG 3.2Å; L206-R254 PolarHBondContact O-NE 3.01Å; L206-L255 HydrophobicContact CD1-CG 4.37Å; L206-L255 HydrophobicContact CD2-CD2 3.72Å; L206-L255 HydrophobicContact CD2-CG 4.21Å |
| 207 | L | 98 | Very high | 98.1 | Very high | 65 Ų | 65 | 32.1 Ų | 32.1 | 34% | 0.34 | 15% | 0.154 | S | C | . | . | H | α-helix | trans | -65.8 | -28.7 | 179.4 | -75.2 | 175.1 | 0 | 0 | 0 | 112.5 | Q203 K204 I205 R254 | Q203-L207 WeakPolarHBondContact O-CG 3.48Å; Q203-L207 PolarHBondContact O-N 3.33Å; K204-L207 HydrophobicContact CD-CD1 4.39Å; K204-L207 PolarHBondContact O-N 3.45Å; I205-L207 VanDerWaalsContact C-N 3.28Å; I205-L207 PolarHBondContact O-N 3.29Å; L207-R254 PolarHBondContact O-NH2 3.17Å |
| 208 | D | 98.2 | Very high | 98 | Very high | 30 Ų | 30 | 34.3 Ų | 34.3 | 16% | 0.16 | 17% | 0.168 | C | C | . | . | S | Bend | trans | -77 | 136.9 | 170.2 | 179.5 | -76.1 | 0 | 0 | 0 | 110.6 | H168 I171 I205 L206 T210 G211 L212 | H168-D208 IonicContact CE1-OD2 3.65Å; H168-D208 IonicContact CG-OD2 3.81Å; H168-D208 IonicContact ND1-OD1 2.96Å; H168-D208 IonicContact ND1-OD2 2.65Å; H168-D208 PolarHBondContact ND1-OD2 3.28Å; I171-D208 HydrophobicContact CB-CB 4.25Å; I171-D208 HydrophobicContact CG1-CB 3.89Å; I171-D208 HydrophobicContact CG2-CB 3.9Å; I205-D208 PolarHBondContact O-N 2.88Å; L206-D208 VanDerWaalsContact C-N 3.26Å; L206-D208 PolarHBondContact O-N 3.32Å; D208-T210 VanDerWaalsContact C-N 3.31Å; D208-T210 PolarHBondContact O-N 2.87Å; D208-T210 WeakPolarHBondContact OD1-CA 3.44Å; D208-T210 WeakPolarHBondContact OD1-CB 3.49Å; D208-T210 PolarHBondContact OD1-N 3.13Å; D208-T210 PolarHBondContact OD1-OG1 3.33Å; D208-G211 PolarHBondContact O-N 3.24Å; D208-G211 PolarHBondContact OD1-N 3.37Å; D208-L212 PolarHBondContact O-N 3.44Å |
| 209 | D | 98 | Very high | 97.8 | Very high | 94 Ų | 94 | 43.3 Ų | 43.3 | 50% | 0.503 | 20% | 0.203 | S | C | . | . | H | α-helix | trans | -60.1 | -40.6 | -178 | -73.4 | -38.9 | 0 | 0 | 0 | 112.1 | G211 L212 Y213 R254 | D209-G211 VanDerWaalsContact C-N 3.31Å; D209-G211 PolarHBondContact O-N 3.04Å; D209-L212 PolarHBondContact O-N 3.42Å; D209-Y213 HydrophobicContact CB-CD2 4.3Å; D209-Y213 HydrophobicContact CB-CE2 4.1Å; D209-Y213 WeakPolarHBondContact O-CB 3.29Å; D209-Y213 WeakPolarHBondContact O-CD2 3.24Å; D209-Y213 PolarHBondContact O-N 2.61Å; D209-R254 IonicContact OD1-CZ 3.43Å; D209-R254 IonicContact OD1-NH1 3.08Å; D209-R254 IonicContact OD1-NH2 3.5Å; D209-R254 PolarHBondContact OD1-NH2 3.33Å |
| 210 | T | 97.5 | Very high | 97.7 | Very high | 64 Ų | 64 | 49.4 Ų | 49.4 | 39% | 0.393 | 23% | 0.231 | S | C | . | . | H | α-helix | trans | -65.6 | -38.8 | 179.3 | -53.6 | 0 | 0 | 0 | 0 | 110.7 | H168 L175 D208 Y213 Y214 | H168-T210 PolarHBondContact CE1-OG1 3.46Å; H168-T210 VanDerWaalsContact CE1-OG1 3.3Å; L175-T210 HydrophobicContact CD1-CG2 3.84Å; D208-T210 VanDerWaalsContact C-N 3.31Å; D208-T210 PolarHBondContact O-N 2.87Å; D208-T210 WeakPolarHBondContact OD1-CA 3.44Å; D208-T210 WeakPolarHBondContact OD1-CB 3.49Å; D208-T210 PolarHBondContact OD1-N 3.13Å; D208-T210 PolarHBondContact OD1-OG1 3.33Å; T210-Y213 PolarHBondContact O-N 3.37Å; T210-Y214 VanDerWaalsContact O-CB 3.24Å; T210-Y214 WeakPolarHBondContact O-CB 3.29Å; T210-Y214 PolarHBondContact O-N 3.47Å |
| 211 | G | 98.1 | Very high | 97.6 | Very high | 0 Ų | 0 | 51.2 Ų | 51.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -65.4 | -42.7 | 174.1 | 0 | 0 | 0 | 0 | 0 | 113.3 | I205 D208 D209 Y214 I215 | I205-G211 WeakPolarHBondContact O-CA 3.39Å; D208-G211 PolarHBondContact O-N 3.24Å; D208-G211 PolarHBondContact OD1-N 3.37Å; D209-G211 VanDerWaalsContact C-N 3.31Å; D209-G211 PolarHBondContact O-N 3.04Å; G211-Y214 PolarHBondContact O-N 2.71Å; G211-I215 WeakPolarHBondContact O-CG1 3.41Å; G211-I215 PolarHBondContact O-N 2.73Å; G211-I215 VanDerWaalsContact O-N 3.11Å |
| 212 | L | 98.3 | Very high | 97.6 | Very high | 5 Ų | 5 | 51.9 Ų | 51.9 | 3% | 0.026 | 24% | 0.24 | C | C | . | . | H | α-helix | trans | -60.6 | -49.9 | 173.2 | 177.2 | 62.7 | 0 | 0 | 0 | 111.4 | L206 D208 D209 Y214 I215 C216 L255 D257 N258 | L206-L212 HydrophobicContact CD2-CD1 4.06Å; D208-L212 PolarHBondContact O-N 3.44Å; D209-L212 PolarHBondContact O-N 3.42Å; L212-Y214 VanDerWaalsContact C-N 3.33Å; L212-Y214 PolarHBondContact O-N 2.63Å; L212-I215 PolarHBondContact O-N 3.33Å; L212-C216 WeakPolarHBondContact O-CB 3.32Å; L212-C216 PolarHBondContact O-N 3.44Å; L212-C216 PolarHBondContact O-SG 2.98Å; L212-L255 HydrophobicContact CD1-CD2 4.27Å; L212-D257 HydrophobicContact CD2-CB 3.97Å; L212-N258 HydrophobicContact CD1-CB 4.42Å |
| 213 | Y | 97.9 | Very high | 97.5 | Very high | 148 Ų | 148 | 52.9 Ų | 52.9 | 58% | 0.58 | 25% | 0.247 | S | C | * | . | H | α-helix | trans | -62.1 | -40.7 | 179 | -73.9 | -59.7 | 0 | 0 | 0 | 111.9 | D209 T210 I215 C216 Q217 | D209-Y213 HydrophobicContact CB-CD2 4.3Å; D209-Y213 HydrophobicContact CB-CE2 4.1Å; D209-Y213 WeakPolarHBondContact O-CB 3.29Å; D209-Y213 WeakPolarHBondContact O-CD2 3.24Å; D209-Y213 PolarHBondContact O-N 2.61Å; T210-Y213 PolarHBondContact O-N 3.37Å; Y213-I215 PolarHBondContact O-N 3.06Å; Y213-C216 CarbonylContact O-C 3.57Å; Y213-C216 PolarHBondContact O-N 3.39Å; Y213-Q217 WeakPolarHBondContact O-CA 3.26Å; Y213-Q217 VanDerWaalsContact O-CB 3.29Å; Y213-Q217 WeakPolarHBondContact O-CB 3.32Å; Y213-Q217 PolarHBondContact O-N 2.94Å |
| 214 | Y | 97.6 | Very high | 97.4 | Very high | 48 Ų | 48 | 56.2 Ų | 56.2 | 19% | 0.188 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -59.2 | -46.7 | 177.4 | 177.5 | -88.9 | 0 | 0 | 0 | 112.5 | L175 I180 T210 G211 L212 Q217 R221 | L175-Y214 HydrophobicContact CD1-CG 4.48Å; L175-Y214 HydrophobicContact CD2-CD1 3.75Å; L175-Y214 HydrophobicContact CD2-CE1 4.33Å; L175-Y214 HydrophobicContact CD2-CG 3.86Å; I180-Y214 HydrophobicContact CD1-CD1 3.75Å; I180-Y214 HydrophobicContact CD1-CE1 3.71Å; T210-Y214 VanDerWaalsContact O-CB 3.24Å; T210-Y214 WeakPolarHBondContact O-CB 3.29Å; T210-Y214 PolarHBondContact O-N 3.47Å; G211-Y214 PolarHBondContact O-N 2.71Å; L212-Y214 VanDerWaalsContact C-N 3.33Å; L212-Y214 PolarHBondContact O-N 2.63Å; Y214-Q217 WeakPolarHBondContact O-CB 3.38Å; Y214-Q217 PolarHBondContact O-N 3.35Å; Y214-R221 VanDerWaalsContact CD2-NH1 3.33Å; Y214-R221 VanDerWaalsContact O-CD 3.27Å; Y214-R221 WeakPolarHBondContact O-CD 3.45Å; Y214-R221 PolarHBondContact O-NH1 3.45Å; Y214-R221 PolarHBondContact OH-NH2 3.29Å |
| 215 | I | 98 | Very high | 97.4 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.005 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -67.6 | -43 | 179.8 | -72.3 | 169.1 | 0 | 0 | 0 | 110.6 | I180 L202 I205 L206 G211 L212 Y213 Q217 R221 F222 V225 L255 | I180-I215 HydrophobicContact CD1-CD1 4.11Å; I180-I215 HydrophobicContact CD1-CG1 3.93Å; L202-I215 HydrophobicContact CD1-CD1 3.97Å; I205-I215 HydrophobicContact CG2-CD1 4.34Å; L206-I215 HydrophobicContact CD2-CB 4.39Å; L206-I215 HydrophobicContact CD2-CD1 3.48Å; L206-I215 VanDerWaalsContact CD2-CD1 3.48Å; L206-I215 HydrophobicContact CD2-CG2 4.41Å; L206-I215 HydrophobicContact CG-CD1 3.82Å; G211-I215 WeakPolarHBondContact O-CG1 3.41Å; G211-I215 PolarHBondContact O-N 2.73Å; G211-I215 VanDerWaalsContact O-N 3.11Å; L212-I215 PolarHBondContact O-N 3.33Å; Y213-I215 PolarHBondContact O-N 3.06Å; I215-Q217 VanDerWaalsContact C-N 3.29Å; I215-Q217 PolarHBondContact O-N 3.48Å; I215-R221 CarbonylContact O-C 3.57Å; I215-R221 VanDerWaalsContact O-CB 3.3Å; I215-R221 WeakPolarHBondContact O-CB 3.36Å; I215-F222 PolarHBondContact O-N 2.99Å; I215-F222 VanDerWaalsContact O-N 3.09Å; I215-V225 HydrophobicContact CD1-CG2 4.45Å; I215-V225 HydrophobicContact CG2-CB 4.22Å; I215-V225 HydrophobicContact CG2-CG2 3.82Å; I215-L255 HydrophobicContact CG2-CD2 4.23Å |
| 216 | C | 97.6 | Very high | 97.4 | Very high | 10 Ų | 10 | 55.3 Ų | 55.3 | 7% | 0.068 | 26% | 0.261 | C | S | . | . | H | α-helix | trans | -83.6 | -1 | -178.2 | -62.9 | 0 | 0 | 0 | 0 | 113.9 | L212 Y213 T218 N258 | L212-C216 WeakPolarHBondContact O-CB 3.32Å; L212-C216 PolarHBondContact O-N 3.44Å; L212-C216 PolarHBondContact O-SG 2.98Å; Y213-C216 CarbonylContact O-C 3.57Å; Y213-C216 PolarHBondContact O-N 3.39Å; C216-T218 VanDerWaalsContact C-N 3.34Å; C216-T218 PolarHBondContact O-N 3.45Å; C216-N258 HydrophobicContact CB-CB 4.12Å |
| 217 | Q | 95.9 | Very high | 97.4 | Very high | 121 Ų | 121 | 59.9 Ų | 59.9 | 57% | 0.565 | 28% | 0.284 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63.1 | -41.2 | -176.4 | -171.1 | 176 | 20.9 | 0 | 0 | 112.1 | Y213 Y214 I215 | Y213-Q217 WeakPolarHBondContact O-CA 3.26Å; Y213-Q217 VanDerWaalsContact O-CB 3.29Å; Y213-Q217 WeakPolarHBondContact O-CB 3.32Å; Y213-Q217 PolarHBondContact O-N 2.94Å; Y214-Q217 WeakPolarHBondContact O-CB 3.38Å; Y214-Q217 PolarHBondContact O-N 3.35Å; I215-Q217 VanDerWaalsContact C-N 3.29Å; I215-Q217 PolarHBondContact O-N 3.48Å |
| 218 | T | 95.8 | Very high | 97.4 | Very high | 56 Ų | 56 | 57.4 Ų | 57.4 | 34% | 0.344 | 27% | 0.271 | S | S | . | . | S | Bend | trans | -125.9 | 147.1 | -176.4 | 66.1 | 0 | 0 | 0 | 0 | 110 | C216 E220 R221 F222 | C216-T218 VanDerWaalsContact C-N 3.34Å; C216-T218 PolarHBondContact O-N 3.45Å; T218-E220 PolarHBondContact O-N 2.99Å; T218-R221 PolarHBondContact O-N 3.37Å; T218-R221 WeakPolarHBondContact OG1-CB 3.27Å; T218-R221 VanDerWaalsContact OG1-CG 3.28Å; T218-R221 WeakPolarHBondContact OG1-CG 3.35Å; T218-R221 PolarHBondContact OG1-N 3.5Å; T218-F222 PolarHBondContact O-N 3.41Å |
| 219 | Y | 94.3 | Very high | 97.4 | Very high | 188 Ų | 188 | 56 Ų | 56 | 74% | 0.737 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -54.3 | -42.6 | 172.8 | 176.1 | -97.5 | 0 | 0 | 0 | 112 | F222 S223 | Y219-F222 PolarHBondContact O-N 3.15Å; Y219-S223 WeakPolarHBondContact O-CB 3.32Å; Y219-S223 PolarHBondContact O-N 3.33Å; Y219-S223 PolarHBondContact O-OG 3.25Å |
| 220 | E | 96.4 | Very high | 97.4 | Very high | 129 Ų | 129 | 52.1 Ų | 52.1 | 60% | 0.603 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -58.2 | -56.3 | -179 | -175.3 | 177 | 180 | 0 | 0 | 112 | T218 F222 S223 Q224 | T218-E220 PolarHBondContact O-N 2.99Å; E220-F222 PolarHBondContact O-N 2.81Å; E220-S223 PolarHBondContact O-N 3.46Å; E220-S223 PolarHBondContact O-OG 3.12Å; E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 2.91Å |
| 221 | R | 97 | Very high | 97.4 | Very high | 77 Ų | 77 | 53.7 Ų | 53.7 | 29% | 0.291 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -57.2 | -46.5 | 178.4 | -69.7 | 177 | -178.2 | 165.8 | 2 | 113.1 | Y214 I215 T218 V225 | Y214-R221 VanDerWaalsContact CD2-NH1 3.33Å; Y214-R221 VanDerWaalsContact O-CD 3.27Å; Y214-R221 WeakPolarHBondContact O-CD 3.45Å; Y214-R221 PolarHBondContact O-NH1 3.45Å; Y214-R221 PolarHBondContact OH-NH2 3.29Å; I215-R221 CarbonylContact O-C 3.57Å; I215-R221 VanDerWaalsContact O-CB 3.3Å; I215-R221 WeakPolarHBondContact O-CB 3.36Å; T218-R221 PolarHBondContact O-N 3.37Å; T218-R221 WeakPolarHBondContact OG1-CB 3.27Å; T218-R221 VanDerWaalsContact OG1-CG 3.28Å; T218-R221 WeakPolarHBondContact OG1-CG 3.35Å; T218-R221 PolarHBondContact OG1-N 3.5Å; R221-V225 PolarHBondContact O-N 3.36Å |
| 222 | F | 97.8 | Very high | 97.4 | Very high | 14 Ų | 14 | 53.9 Ų | 53.9 | 6% | 0.061 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -62.2 | -47.6 | 177.7 | 166.1 | -99.4 | 0 | 0 | 0 | 111.1 | I215 T218 Y219 E220 Q224 V225 A226 L255 A261 A264 L265 | I215-F222 PolarHBondContact O-N 2.99Å; I215-F222 VanDerWaalsContact O-N 3.09Å; T218-F222 PolarHBondContact O-N 3.41Å; Y219-F222 PolarHBondContact O-N 3.15Å; E220-F222 PolarHBondContact O-N 2.81Å; F222-Q224 PolarHBondContact O-N 3.5Å; F222-V225 PolarHBondContact O-N 2.99Å; F222-A226 HydrophobicContact CE1-CB 4.31Å; F222-A226 HydrophobicContact CE2-CB 4.42Å; F222-A226 HydrophobicContact CZ-CB 4.1Å; F222-A226 WeakPolarHBondContact O-CB 3.35Å; F222-A226 PolarHBondContact O-N 3.23Å; F222-L255 HydrophobicContact CD2-CD2 4.31Å; F222-L255 HydrophobicContact CE2-CD2 4.41Å; F222-A261 HydrophobicContact CD2-CB 3.7Å; F222-A261 HydrophobicContact CE2-CB 3.42Å; F222-A261 VanDerWaalsContact CE2-CB 3.42Å; F222-A261 HydrophobicContact CZ-CB 4.16Å; F222-A264 HydrophobicContact CD1-CB 4.45Å; F222-A264 HydrophobicContact CE1-CB 3.42Å; F222-A264 VanDerWaalsContact CE1-CB 3.42Å; F222-A264 HydrophobicContact CZ-CB 3.71Å; F222-L265 HydrophobicContact CE2-CG 4.39Å; F222-L265 HydrophobicContact CZ-CD2 4.3Å; F222-L265 HydrophobicContact CZ-CG 4.13Å |
| 223 | S | 97 | Very high | 97.4 | Very high | 20 Ų | 20 | 53.6 Ų | 53.6 | 14% | 0.14 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -62.3 | -40.8 | -176.7 | 69.7 | 0 | 0 | 0 | 0 | 112 | Y219 E220 V225 A226 I227 | Y219-S223 WeakPolarHBondContact O-CB 3.32Å; Y219-S223 PolarHBondContact O-N 3.33Å; Y219-S223 PolarHBondContact O-OG 3.25Å; E220-S223 PolarHBondContact O-N 3.46Å; E220-S223 PolarHBondContact O-OG 3.12Å; S223-V225 PolarHBondContact O-N 3.19Å; S223-A226 PolarHBondContact O-N 3.43Å; S223-I227 WeakPolarHBondContact O-CB 3.45Å; S223-I227 WeakPolarHBondContact O-CD1 3.36Å; S223-I227 WeakPolarHBondContact O-CG1 3.27Å; S223-I227 PolarHBondContact O-N 3.3Å |
| 224 | Q | 97.3 | Very high | 97.3 | Very high | 80 Ų | 80 | 50.5 Ų | 50.5 | 37% | 0.374 | 24% | 0.241 | S | C | . | . | H | α-helix | trans | -59.3 | -46.9 | 174.7 | -70.9 | 178.7 | 5.9 | 0 | 0 | 111.9 | L184 E220 F222 V228 | L184-Q224 HydrophobicContact CD1-CB 4.17Å; E220-Q224 WeakPolarHBondContact O-CG 3.43Å; E220-Q224 PolarHBondContact O-N 2.91Å; F222-Q224 PolarHBondContact O-N 3.5Å; Q224-V228 WeakPolarHBondContact O-CG2 3.48Å; Q224-V228 PolarHBondContact O-N 2.9Å; Q224-V228 VanDerWaalsContact O-N 3.15Å |
| 225 | V | 98.3 | Very high | 97.3 | Very high | 1 Ų | 1 | 50.5 Ų | 50.5 | 1% | 0.006 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -62.1 | -48.2 | 176.8 | 171.3 | 0 | 0 | 0 | 0 | 110.9 | I180 L184 L202 I215 R221 F222 S223 I227 V228 L229 L255 | I180-V225 HydrophobicContact CG2-CG2 4.49Å; L184-V225 HydrophobicContact CD1-CG2 3.97Å; L184-V225 HydrophobicContact CD2-CG2 4.23Å; L202-V225 HydrophobicContact CD1-CG2 4.47Å; L202-V225 HydrophobicContact CD2-CG1 4.2Å; I215-V225 HydrophobicContact CD1-CG2 4.45Å; I215-V225 HydrophobicContact CG2-CB 4.22Å; I215-V225 HydrophobicContact CG2-CG2 3.82Å; R221-V225 PolarHBondContact O-N 3.36Å; F222-V225 PolarHBondContact O-N 2.99Å; S223-V225 PolarHBondContact O-N 3.19Å; V225-I227 PolarHBondContact O-N 3.45Å; V225-V228 PolarHBondContact O-N 2.88Å; V225-L229 HydrophobicContact CG1-CD1 3.77Å; V225-L229 HydrophobicContact CG1-CG 4.27Å; V225-L229 WeakPolarHBondContact O-CB 3.42Å; V225-L229 VanDerWaalsContact O-CG 3.29Å; V225-L229 WeakPolarHBondContact O-CG 3.45Å; V225-L229 PolarHBondContact O-N 3.1Å; V225-L255 HydrophobicContact CG1-CD1 4.24Å |
| 226 | A | 98 | Very high | 97.3 | Very high | 11 Ų | 11 | 50.5 Ų | 50.5 | 9% | 0.091 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -61.9 | -43.3 | -178.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | F222 S223 G230 | F222-A226 HydrophobicContact CE1-CB 4.31Å; F222-A226 HydrophobicContact CE2-CB 4.42Å; F222-A226 HydrophobicContact CZ-CB 4.1Å; F222-A226 WeakPolarHBondContact O-CB 3.35Å; F222-A226 PolarHBondContact O-N 3.23Å; S223-A226 PolarHBondContact O-N 3.43Å; A226-G230 PolarHBondContact O-N 3.4Å |
| 227 | I | 97.9 | Very high | 97.2 | Very high | 96 Ų | 96 | 52 Ų | 52 | 49% | 0.492 | 25% | 0.254 | S | S | . | . | H | α-helix | trans | -61.7 | -47.3 | 178 | -71.3 | 165 | 0 | 0 | 0 | 110.8 | S223 V225 G230 K231 | S223-I227 WeakPolarHBondContact O-CB 3.45Å; S223-I227 WeakPolarHBondContact O-CD1 3.36Å; S223-I227 WeakPolarHBondContact O-CG1 3.27Å; S223-I227 PolarHBondContact O-N 3.3Å; V225-I227 PolarHBondContact O-N 3.45Å; I227-G230 PolarHBondContact O-N 3.4Å; I227-K231 HydrophobicContact CG2-CD 4.43Å; I227-K231 WeakPolarHBondContact O-CG 3.44Å; I227-K231 PolarHBondContact O-N 2.96Å |
| 228 | V | 98.3 | Very high | 97.1 | Very high | 12 Ų | 12 | 53.8 Ų | 53.8 | 7% | 0.073 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -69.4 | -40.3 | -177.3 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L184 M187 Q224 V225 G230 K231 T232 | L184-V228 HydrophobicContact CB-CG1 4.43Å; L184-V228 HydrophobicContact CB-CG2 4.14Å; L184-V228 HydrophobicContact CD2-CB 3.94Å; L184-V228 HydrophobicContact CD2-CG1 3.98Å; L184-V228 HydrophobicContact CD2-CG2 4.2Å; M187-V228 HydrophobicContact CB-CG1 3.66Å; M187-V228 HydrophobicContact CE-CG1 4.05Å; Q224-V228 WeakPolarHBondContact O-CG2 3.48Å; Q224-V228 PolarHBondContact O-N 2.9Å; Q224-V228 VanDerWaalsContact O-N 3.15Å; V225-V228 PolarHBondContact O-N 2.88Å; V228-G230 VanDerWaalsContact C-N 3.28Å; V228-G230 PolarHBondContact O-N 3.49Å; V228-K231 PolarHBondContact O-N 2.71Å; V228-T232 WeakPolarHBondContact O-CB 3.46Å; V228-T232 PolarHBondContact O-N 3.24Å; V228-T232 PolarHBondContact O-OG1 3.19Å |
| 229 | L | 98.4 | Very high | 97.1 | Very high | 0 Ų | 0 | 56.9 Ų | 56.9 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -60.5 | -40.6 | 171.4 | -69.7 | 174.5 | 0 | 0 | 0 | 111 | M187 L202 V225 T232 I233 V248 C251 Y252 L255 | M187-L229 HydrophobicContact CE-CD2 3.79Å; L202-L229 HydrophobicContact CD2-CD2 4.45Å; V225-L229 HydrophobicContact CG1-CD1 3.77Å; V225-L229 HydrophobicContact CG1-CG 4.27Å; V225-L229 WeakPolarHBondContact O-CB 3.42Å; V225-L229 VanDerWaalsContact O-CG 3.29Å; V225-L229 WeakPolarHBondContact O-CG 3.45Å; V225-L229 PolarHBondContact O-N 3.1Å; L229-T232 WeakPolarHBondContact O-CB 3.47Å; L229-T232 PolarHBondContact O-N 2.97Å; L229-I233 WeakPolarHBondContact O-CG1 3.43Å; L229-I233 PolarHBondContact O-N 3.1Å; L229-V248 HydrophobicContact CD2-CG1 4.11Å; L229-V248 HydrophobicContact CD2-CG2 4.44Å; L229-C251 HydrophobicContact CD1-CB 3.82Å; L229-C251 HydrophobicContact CD2-CB 3.96Å; L229-Y252 HydrophobicContact CB-CE1 4.25Å; L229-Y252 HydrophobicContact CB-CE2 3.91Å; L229-Y252 WeakPolarHBondContact CB-OH 3.39Å; L229-Y252 HydrophobicContact CD1-CD1 4.46Å; L229-Y252 HydrophobicContact CD1-CE1 4.29Å; L229-L255 HydrophobicContact CD1-CD1 3.86Å |
| 230 | G | 98 | Very high | 97.1 | Very high | 13 Ų | 13 | 52.4 Ų | 52.4 | 13% | 0.134 | 27% | 0.267 | C | S | . | . | H | α-helix | trans | -60.5 | -49.1 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | A226 I227 V228 T232 I233 L234 Y252 | A226-G230 PolarHBondContact O-N 3.4Å; I227-G230 PolarHBondContact O-N 3.4Å; V228-G230 VanDerWaalsContact C-N 3.28Å; V228-G230 PolarHBondContact O-N 3.49Å; G230-T232 VanDerWaalsContact C-N 3.26Å; G230-T232 PolarHBondContact O-N 2.88Å; G230-I233 WeakPolarHBondContact O-CB 3.36Å; G230-I233 PolarHBondContact O-N 3.03Å; G230-I233 VanDerWaalsContact O-N 3.14Å; G230-L234 PolarHBondContact O-N 2.79Å; G230-Y252 WeakPolarHBondContact CA-OH 3.49Å; G230-Y252 PolarHBondContact N-OH 3.23Å; G230-Y252 VanDerWaalsContact N-OH 3.13Å |
| 231 | K | 97.8 | Very high | 97.1 | Very high | 98 Ų | 98 | 46.9 Ų | 46.9 | 43% | 0.426 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -59.1 | -38 | 173.9 | -70.6 | -177.6 | -175.8 | -174.1 | 0 | 112.2 | E188 I227 V228 I233 L234 F235 | E188-K231 HydrophobicContact CG-CD 4.47Å; E188-K231 WeakPolarHBondContact OE1-CD 3.49Å; E188-K231 IonicContact OE1-NZ 3.68Å; E188-K231 PolarHBondContact OE1-NZ 3.06Å; I227-K231 HydrophobicContact CG2-CD 4.43Å; I227-K231 WeakPolarHBondContact O-CG 3.44Å; I227-K231 PolarHBondContact O-N 2.96Å; V228-K231 PolarHBondContact O-N 2.71Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3.02Å; K231-L234 PolarHBondContact O-N 2.84Å; K231-F235 PolarHBondContact O-N 3.12Å |
| 232 | T | 97.9 | Very high | 97 | Very high | 3 Ų | 3 | 45.2 Ų | 45.2 | 2% | 0.018 | 25% | 0.246 | C | C | . | . | H | α-helix | trans | -65.8 | -37.4 | 177.6 | -53.1 | 0 | 0 | 0 | 0 | 111.5 | V228 L229 G230 F235 L236 L244 V248 | V228-T232 WeakPolarHBondContact O-CB 3.46Å; V228-T232 PolarHBondContact O-N 3.24Å; V228-T232 PolarHBondContact O-OG1 3.19Å; L229-T232 WeakPolarHBondContact O-CB 3.47Å; L229-T232 PolarHBondContact O-N 2.97Å; G230-T232 VanDerWaalsContact C-N 3.26Å; G230-T232 PolarHBondContact O-N 2.88Å; T232-F235 PolarHBondContact O-N 2.95Å; T232-L236 HydrophobicContact CG2-CD1 4.32Å; T232-L236 WeakPolarHBondContact O-CB 3.33Å; T232-L236 VanDerWaalsContact O-CG 3.28Å; T232-L236 WeakPolarHBondContact O-CG 3.42Å; T232-L236 PolarHBondContact O-N 2.98Å; T232-L244 HydrophobicContact CG2-CD1 4.03Å; T232-L244 HydrophobicContact CG2-CD2 3.87Å; T232-L244 HydrophobicContact CG2-CG 4.01Å; T232-V248 HydrophobicContact CG2-CG2 3.67Å |
| 233 | I | 98 | Very high | 96.9 | Very high | 0 Ų | 0 | 49.6 Ų | 49.6 | 0% | 0 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -64.4 | -44 | 172.5 | -69.6 | -60.7 | 0 | 0 | 0 | 111.7 | L229 G230 K231 F235 L236 A237 L245 V248 Y252 P270 Q272 L273 F278 | L229-I233 WeakPolarHBondContact O-CG1 3.43Å; L229-I233 PolarHBondContact O-N 3.1Å; G230-I233 WeakPolarHBondContact O-CB 3.36Å; G230-I233 PolarHBondContact O-N 3.03Å; G230-I233 VanDerWaalsContact O-N 3.14Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3.02Å; I233-F235 VanDerWaalsContact C-N 3.29Å; I233-F235 PolarHBondContact O-N 3.28Å; I233-L236 HydrophobicContact CD1-CD1 4.25Å; I233-L236 PolarHBondContact O-N 3.33Å; I233-A237 PolarHBondContact O-N 3.46Å; I233-L245 HydrophobicContact CD1-CD1 3.88Å; I233-V248 HydrophobicContact CD1-CB 4.26Å; I233-V248 HydrophobicContact CD1-CG1 3.46Å; I233-V248 VanDerWaalsContact CD1-CG1 3.46Å; I233-V248 HydrophobicContact CG1-CG1 3.76Å; I233-Y252 HydrophobicContact CG1-CE2 4.06Å; I233-P270 HydrophobicContact CB-CB 4.16Å; I233-P270 HydrophobicContact CB-CG 4.11Å; I233-P270 HydrophobicContact CG1-CG 4.27Å; I233-P270 HydrophobicContact CG2-CB 3.7Å; I233-P270 HydrophobicContact CG2-CG 4.2Å; I233-Q272 HydrophobicContact CG2-CB 3.82Å; I233-L273 HydrophobicContact CD1-CD1 4Å; I233-L273 HydrophobicContact CD1-CD2 3.71Å; I233-L273 HydrophobicContact CD1-CG 3.93Å; I233-L273 HydrophobicContact CG1-CD1 4.03Å; I233-L273 HydrophobicContact CG1-CG 4.21Å; I233-L273 HydrophobicContact CG2-CG 4.32Å; I233-F278 HydrophobicContact CD1-CE2 4.34Å; I233-F278 HydrophobicContact CG2-CE2 3.92Å; I233-F278 HydrophobicContact CG2-CZ 4.09Å |
| 234 | L | 96.9 | Very high | 96.9 | Very high | 83 Ų | 83 | 48.7 Ų | 48.7 | 44% | 0.435 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -62.1 | -38.7 | 177 | -64.9 | 175.9 | 0 | 0 | 0 | 112 | G230 K231 A237 | G230-L234 PolarHBondContact O-N 2.79Å; K231-L234 PolarHBondContact O-N 2.84Å; L234-A237 PolarHBondContact O-N 3.41Å |
| 235 | F | 96.5 | Very high | 97 | Very high | 48 Ų | 48 | 44.9 Ų | 44.9 | 21% | 0.211 | 24% | 0.237 | C | C | . | . | H | α-helix | trans | -61.8 | -48.4 | 171.7 | 169.8 | -99.5 | 0 | 0 | 0 | 111.4 | K195 K231 T232 I233 A237 Q238 E239 L244 | K195-F235 HydrophobicContact CD-CD1 4.26Å; K195-F235 HydrophobicContact CD-CE1 4.05Å; K195-F235 HydrophobicContact CD-CZ 4.48Å; K231-F235 PolarHBondContact O-N 3.12Å; T232-F235 PolarHBondContact O-N 2.95Å; I233-F235 VanDerWaalsContact C-N 3.29Å; I233-F235 PolarHBondContact O-N 3.28Å; F235-A237 PolarHBondContact O-N 3.35Å; F235-Q238 PolarHBondContact O-N 2.89Å; F235-E239 HydrophobicContact CE1-CB 4.36Å; F235-E239 HydrophobicContact CE2-CB 4.14Å; F235-E239 HydrophobicContact CE2-CG 4.3Å; F235-E239 VanDerWaalsContact CE2-OE2 3.29Å; F235-E239 WeakPolarHBondContact CE2-OE2 3.41Å; F235-E239 HydrophobicContact CZ-CB 3.91Å; F235-E239 HydrophobicContact CZ-CG 4.45Å; F235-E239 WeakPolarHBondContact CZ-OE2 3.46Å; F235-E239 PolarHBondContact O-N 3.41Å; F235-L244 HydrophobicContact CD1-CD2 4.39Å; F235-L244 HydrophobicContact CE1-CD2 4.33Å |
| 236 | L | 97.3 | Very high | 97 | Very high | 1 Ų | 1 | 48.2 Ų | 48.2 | 1% | 0.005 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62.3 | -28 | 179.5 | -77.9 | 167.3 | 0 | 0 | 0 | 113.8 | T232 I233 Q238 E239 P240 S241 L244 L245 V248 F278 | T232-L236 HydrophobicContact CG2-CD1 4.32Å; T232-L236 WeakPolarHBondContact O-CB 3.33Å; T232-L236 VanDerWaalsContact O-CG 3.28Å; T232-L236 WeakPolarHBondContact O-CG 3.42Å; T232-L236 PolarHBondContact O-N 2.98Å; I233-L236 HydrophobicContact CD1-CD1 4.25Å; I233-L236 PolarHBondContact O-N 3.33Å; L236-Q238 PolarHBondContact O-N 3.13Å; L236-E239 CarbonylContact O-C 3.58Å; L236-P240 VanDerWaalsContact O-CA 3.32Å; L236-P240 WeakPolarHBondContact O-CA 3.4Å; L236-S241 WeakPolarHBondContact CD2-O 3.45Å; L236-L244 HydrophobicContact CD1-CG 4.13Å; L236-L244 HydrophobicContact CD2-CB 4.08Å; L236-L244 HydrophobicContact CD2-CD2 3.98Å; L236-L244 HydrophobicContact CD2-CG 4.08Å; L236-L244 HydrophobicContact CG-CD2 4.23Å; L236-L244 HydrophobicContact CG-CG 4.35Å; L236-L245 HydrophobicContact CD1-CB 3.93Å; L236-L245 HydrophobicContact CD1-CD1 3.98Å; L236-L245 HydrophobicContact CD2-CB 4.48Å; L236-V248 HydrophobicContact CD1-CG2 4.34Å; L236-F278 HydrophobicContact CB-CE1 3.76Å; L236-F278 HydrophobicContact CB-CZ 3.89Å |
| 237 | A | 96.1 | Very high | 97 | Very high | 40 Ų | 40 | 48.7 Ų | 48.7 | 33% | 0.331 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -66.8 | -26.2 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | I233 L234 F235 Q272 T277 F278 | I233-A237 PolarHBondContact O-N 3.46Å; L234-A237 PolarHBondContact O-N 3.41Å; F235-A237 PolarHBondContact O-N 3.35Å; A237-Q272 HydrophobicContact CB-CG 4.07Å; A237-T277 HydrophobicContact CB-CG2 3.92Å; A237-F278 HydrophobicContact CB-CZ 4.38Å |
| 238 | Q | 95.1 | Very high | 97 | Very high | 160 Ų | 160 | 44.1 Ų | 44.1 | 75% | 0.748 | 23% | 0.229 | S | C | * | . | H | α-helix | trans | -93.2 | -42.4 | 177 | -60.2 | 175 | 36.3 | 0 | 0 | 111.5 | F235 L236 P240 | F235-Q238 PolarHBondContact O-N 2.89Å; L236-Q238 PolarHBondContact O-N 3.13Å; Q238-P240 WeakPolarHBondContact O-CD 3.42Å |
| 239 | E | 95.1 | Very high | 97 | Very high | 120 Ų | 120 | 43.6 Ų | 43.6 | 56% | 0.561 | 23% | 0.225 | S | C | * | . | S | Bend | trans | -123 | 86.3 | -180 | -67.2 | -175.2 | -170.4 | 0 | 0 | 110.2 | F235 L236 S241 | F235-E239 HydrophobicContact CE1-CB 4.36Å; F235-E239 HydrophobicContact CE2-CB 4.14Å; F235-E239 HydrophobicContact CE2-CG 4.3Å; F235-E239 VanDerWaalsContact CE2-OE2 3.29Å; F235-E239 WeakPolarHBondContact CE2-OE2 3.41Å; F235-E239 HydrophobicContact CZ-CB 3.91Å; F235-E239 HydrophobicContact CZ-CG 4.45Å; F235-E239 WeakPolarHBondContact CZ-OE2 3.46Å; F235-E239 PolarHBondContact O-N 3.41Å; L236-E239 CarbonylContact O-C 3.58Å; E239-S241 PolarHBondContact O-N 3.45Å |
| 240 | P | 94.3 | Very high | 97 | Very high | 94 Ų | 94 | 46.4 Ų | 46.4 | 61% | 0.61 | 24% | 0.236 | S | C | * | . | trans | -63.2 | 125.7 | -175.2 | -24.7 | 34.8 | 0 | 0 | 0 | 113.1 | L236 Q238 | L236-P240 VanDerWaalsContact O-CA 3.32Å; L236-P240 WeakPolarHBondContact O-CA 3.4Å; Q238-P240 WeakPolarHBondContact O-CD 3.42Å | ||
| 241 | S | 96 | Very high | 97 | Very high | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 23% | 0.23 | C | C | . | . | trans | -133.4 | 109.6 | 170.2 | 173.5 | 0 | 0 | 0 | 0 | 110 | E192 L236 E239 R243 L244 L245 | E192-S241 VanDerWaalsContact OE1-CB 3.24Å; E192-S241 WeakPolarHBondContact OE1-CB 3.44Å; E192-S241 PolarHBondContact OE1-OG 2.94Å; L236-S241 WeakPolarHBondContact CD2-O 3.45Å; E239-S241 PolarHBondContact O-N 3.45Å; S241-R243 PolarHBondContact O-N 3.36Å; S241-L244 PolarHBondContact O-N 3.43Å; S241-L244 PolarHBondContact OG-N 3.45Å; S241-L245 VanDerWaalsContact O-CB 3.24Å; S241-L245 WeakPolarHBondContact O-CB 3.5Å; S241-L245 PolarHBondContact O-N 3.27Å | ||
| 242 | A | 95.4 | Very high | 97 | Very high | 43 Ų | 43 | 41.2 Ų | 41.2 | 36% | 0.355 | 21% | 0.21 | S | C | . | . | H | α-helix | trans | -60.6 | -35.6 | -178.4 | 0 | 0 | 0 | 0 | 0 | 112 | K246 C281 | A242-K246 WeakPolarHBondContact O-CB 3.43Å; A242-K246 PolarHBondContact O-N 3.38Å; A242-C281 WeakPolarHBondContact CA-SG 3.38Å; A242-C281 PolarHBondContact N-SG 3.13Å; A242-C281 VanDerWaalsContact N-SG 3.43Å |
| 243 | R | 95.8 | Very high | 97 | Very high | 106 Ų | 106 | 41.4 Ų | 41.4 | 40% | 0.4 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -68 | -49 | -179.6 | -171.8 | 177.1 | 177.9 | -179.1 | 1.9 | 111.6 | T196 S241 K246 H247 | T196-R243 HydrophobicContact CG2-CB 4.49Å; T196-R243 HydrophobicContact CG2-CG 3.73Å; S241-R243 PolarHBondContact O-N 3.36Å; R243-K246 PolarHBondContact O-N 3.11Å; R243-H247 PolarHBondContact O-CD2 3.1Å; R243-H247 PolarHBondContact O-N 3.41Å |
| 244 | L | 97.6 | Very high | 97 | Very high | 0 Ų | 0 | 43.1 Ų | 43.1 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -65.4 | -44.8 | 177.2 | 176.5 | 57.1 | 0 | 0 | 0 | 110.8 | K195 T199 T232 F235 L236 S241 K246 H247 V248 | K195-L244 HydrophobicContact CB-CD1 4.33Å; K195-L244 HydrophobicContact CB-CD2 3.99Å; K195-L244 HydrophobicContact CD-CD2 4.41Å; T199-L244 HydrophobicContact CG2-CD1 4.24Å; T199-L244 VanDerWaalsContact OG1-CD1 3.27Å; T199-L244 WeakPolarHBondContact OG1-CD1 3.35Å; T232-L244 HydrophobicContact CG2-CD1 4.03Å; T232-L244 HydrophobicContact CG2-CD2 3.87Å; T232-L244 HydrophobicContact CG2-CG 4.01Å; F235-L244 HydrophobicContact CD1-CD2 4.39Å; F235-L244 HydrophobicContact CE1-CD2 4.33Å; L236-L244 HydrophobicContact CD1-CG 4.13Å; L236-L244 HydrophobicContact CD2-CB 4.08Å; L236-L244 HydrophobicContact CD2-CD2 3.98Å; L236-L244 HydrophobicContact CD2-CG 4.08Å; L236-L244 HydrophobicContact CG-CD2 4.23Å; L236-L244 HydrophobicContact CG-CG 4.35Å; S241-L244 PolarHBondContact O-N 3.43Å; S241-L244 PolarHBondContact OG-N 3.45Å; L244-K246 VanDerWaalsContact C-N 3.3Å; L244-K246 PolarHBondContact O-N 2.94Å; L244-H247 PolarHBondContact O-N 3.1Å; L244-H247 VanDerWaalsContact O-N 3.08Å; L244-V248 HydrophobicContact CD1-CG2 4.19Å; L244-V248 HydrophobicContact CG-CG2 4.45Å; L244-V248 WeakPolarHBondContact O-CG2 3.37Å; L244-V248 PolarHBondContact O-N 3.01Å |
| 245 | L | 98 | Very high | 97.1 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -55.9 | -43.3 | 177.4 | -179.8 | 62.6 | 0 | 0 | 0 | 112.3 | I233 L236 S241 H247 V248 I249 L273 F278 C281 L282 | I233-L245 HydrophobicContact CD1-CD1 3.88Å; L236-L245 HydrophobicContact CD1-CB 3.93Å; L236-L245 HydrophobicContact CD1-CD1 3.98Å; L236-L245 HydrophobicContact CD2-CB 4.48Å; S241-L245 VanDerWaalsContact O-CB 3.24Å; S241-L245 WeakPolarHBondContact O-CB 3.5Å; S241-L245 PolarHBondContact O-N 3.27Å; L245-H247 VanDerWaalsContact C-N 3.34Å; L245-H247 PolarHBondContact O-N 3.38Å; L245-V248 PolarHBondContact O-N 2.75Å; L245-I249 HydrophobicContact CD1-CD1 3.79Å; L245-I249 HydrophobicContact CD1-CG1 4.06Å; L245-I249 HydrophobicContact CD2-CD1 4.37Å; L245-I249 HydrophobicContact CG-CD1 3.73Å; L245-I249 HydrophobicContact CG-CG1 4.39Å; L245-I249 WeakPolarHBondContact O-CG1 3.4Å; L245-I249 PolarHBondContact O-N 2.93Å; L245-L273 HydrophobicContact CD1-CD2 4.27Å; L245-F278 HydrophobicContact CD1-CD1 4.26Å; L245-F278 HydrophobicContact CD1-CD2 4.02Å; L245-F278 HydrophobicContact CD1-CE1 4.34Å; L245-F278 HydrophobicContact CD1-CE2 4.09Å; L245-F278 HydrophobicContact CD1-CG 4.11Å; L245-F278 HydrophobicContact CD1-CZ 4.25Å; L245-F278 HydrophobicContact CD2-CB 3.7Å; L245-F278 HydrophobicContact CD2-CD1 3.68Å; L245-F278 HydrophobicContact CD2-CD2 4.33Å; L245-F278 HydrophobicContact CD2-CE1 4.42Å; L245-F278 HydrophobicContact CD2-CG 3.63Å; L245-C281 HydrophobicContact CD2-CB 4.27Å; L245-L282 HydrophobicContact CD2-CD1 4.3Å; L245-L282 HydrophobicContact CD2-CD2 3.63Å; L245-L282 HydrophobicContact CD2-CG 3.86Å; L245-L282 HydrophobicContact CG-CD2 4.34Å |
| 246 | K | 97.7 | Very high | 97.1 | Very high | 72 Ų | 72 | 37.1 Ų | 37.1 | 31% | 0.313 | 19% | 0.188 | S | C | . | . | H | α-helix | trans | -55.9 | -46.1 | 175.1 | 173.8 | 172.3 | -173.4 | 166 | 0 | 112.5 | A242 R243 L244 R250 T288 | A242-K246 WeakPolarHBondContact O-CB 3.43Å; A242-K246 PolarHBondContact O-N 3.38Å; R243-K246 PolarHBondContact O-N 3.11Å; L244-K246 VanDerWaalsContact C-N 3.3Å; L244-K246 PolarHBondContact O-N 2.94Å; K246-R250 VanDerWaalsContact O-CG 3.3Å; K246-R250 WeakPolarHBondContact O-CG 3.21Å; K246-R250 PolarHBondContact O-N 3.46Å; K246-R250 VanDerWaalsContact O-N 3.12Å; K246-T288 HydrophobicContact CB-CG2 4.21Å; K246-T288 VanDerWaalsContact CG-OG1 3.31Å; K246-T288 WeakPolarHBondContact CG-OG1 3.05Å |
| 247 | H | 98.3 | Very high | 97.1 | Very high | 21 Ų | 21 | 41.2 Ų | 41.2 | 10% | 0.097 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -65.6 | -43.9 | 178.6 | -65.2 | -56.7 | 0 | 0 | 0 | 111.5 | T199 F200 Q203 R243 L244 L245 I249 R250 C251 | T199-H247 HydrophobicContact CG2-CB 3.59Å; F200-H247 AromaticContact CD2-CE1 3.6Å; Q203-H247 PolarHBondContact OE1-ND1 2.78Å; R243-H247 PolarHBondContact O-CD2 3.1Å; R243-H247 PolarHBondContact O-N 3.41Å; L244-H247 PolarHBondContact O-N 3.1Å; L244-H247 VanDerWaalsContact O-N 3.08Å; L245-H247 VanDerWaalsContact C-N 3.34Å; L245-H247 PolarHBondContact O-N 3.38Å; H247-I249 PolarHBondContact O-N 3.33Å; H247-R250 PolarHBondContact O-N 3.06Å; H247-C251 PolarHBondContact O-N 3.4Å; H247-C251 PolarHBondContact O-SG 2.87Å |
| 248 | V | 98.5 | Very high | 97.1 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -61.4 | -46.5 | 178.7 | 177.3 | 0 | 0 | 0 | 0 | 111.8 | T199 L229 T232 I233 L236 L244 L245 R250 C251 Y252 | T199-V248 HydrophobicContact CG2-CG2 3.89Å; L229-V248 HydrophobicContact CD2-CG1 4.11Å; L229-V248 HydrophobicContact CD2-CG2 4.44Å; T232-V248 HydrophobicContact CG2-CG2 3.67Å; I233-V248 HydrophobicContact CD1-CB 4.26Å; I233-V248 HydrophobicContact CD1-CG1 3.46Å; I233-V248 VanDerWaalsContact CD1-CG1 3.46Å; I233-V248 HydrophobicContact CG1-CG1 3.76Å; L236-V248 HydrophobicContact CD1-CG2 4.34Å; L244-V248 HydrophobicContact CD1-CG2 4.19Å; L244-V248 HydrophobicContact CG-CG2 4.45Å; L244-V248 WeakPolarHBondContact O-CG2 3.37Å; L244-V248 PolarHBondContact O-N 3.01Å; L245-V248 PolarHBondContact O-N 2.75Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 3.39Å; V248-C251 WeakPolarHBondContact O-CB 3.44Å; V248-C251 PolarHBondContact O-N 3.17Å; V248-Y252 HydrophobicContact CG1-CD2 3.86Å; V248-Y252 HydrophobicContact CG1-CE2 3.64Å; V248-Y252 WeakPolarHBondContact O-CD2 3.48Å; V248-Y252 PolarHBondContact O-N 3.39Å |
| 249 | I | 98.3 | Very high | 97.1 | Very high | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -60.8 | -41.4 | 177.4 | -71.1 | 169 | 0 | 0 | 0 | 110.8 | L245 H247 Y252 C253 L273 L282 T288 W291 L292 | L245-I249 HydrophobicContact CD1-CD1 3.79Å; L245-I249 HydrophobicContact CD1-CG1 4.06Å; L245-I249 HydrophobicContact CD2-CD1 4.37Å; L245-I249 HydrophobicContact CG-CD1 3.73Å; L245-I249 HydrophobicContact CG-CG1 4.39Å; L245-I249 WeakPolarHBondContact O-CG1 3.4Å; L245-I249 PolarHBondContact O-N 2.93Å; H247-I249 PolarHBondContact O-N 3.33Å; I249-Y252 PolarHBondContact O-N 3.12Å; I249-C253 PolarHBondContact O-N 3.46Å; I249-C253 PolarHBondContact O-SG 3.38Å; I249-L273 HydrophobicContact CD1-CD2 4.35Å; I249-L273 HydrophobicContact CG1-CD2 4Å; I249-L282 HydrophobicContact CD1-CD1 4.35Å; I249-T288 HydrophobicContact CB-CG2 4.39Å; I249-T288 HydrophobicContact CD1-CG2 3.52Å; I249-T288 HydrophobicContact CG2-CG2 4.49Å; I249-W291 HydrophobicContact CG2-CB 3.77Å; I249-L292 HydrophobicContact CD1-CB 4.3Å; I249-L292 HydrophobicContact CD1-CD1 4.37Å; I249-L292 HydrophobicContact CG1-CD1 4.48Å; I249-L292 HydrophobicContact CG2-CB 4.31Å |
| 250 | R | 98 | Very high | 97.1 | Very high | 59 Ų | 59 | 41.1 Ų | 41.1 | 22% | 0.223 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -65 | -38.3 | 177.2 | -73.6 | -178.1 | 71 | 87.9 | 2.1 | 112.5 | Q203 K246 H247 V248 C253 R254 W291 | Q203-R250 HydrophobicContact CG-CB 3.81Å; K246-R250 VanDerWaalsContact O-CG 3.3Å; K246-R250 WeakPolarHBondContact O-CG 3.21Å; K246-R250 PolarHBondContact O-N 3.46Å; K246-R250 VanDerWaalsContact O-N 3.12Å; H247-R250 PolarHBondContact O-N 3.06Å; V248-R250 VanDerWaalsContact C-N 3.3Å; V248-R250 PolarHBondContact O-N 3.39Å; R250-C253 PolarHBondContact O-N 2.99Å; R250-R254 WeakPolarHBondContact O-CB 3.15Å; R250-R254 PolarHBondContact O-N 2.76Å; R250-R254 VanDerWaalsContact O-N 3.07Å; R250-W291 VanDerWaalsContact NH1-CE2 3.32Å; R250-W291 VanDerWaalsContact NH1-NE1 3.14Å |
| 251 | C | 98.6 | Very high | 97.2 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -59.1 | -50.1 | 172.4 | -66.2 | 0 | 0 | 0 | 0 | 110.9 | Q203 L206 L229 H247 V248 C253 R254 L255 | Q203-C251 VanDerWaalsContact CA-SG 3.57Å; Q203-C251 VanDerWaalsContact CB-SG 3.59Å; L206-C251 HydrophobicContact CD1-CB 3.68Å; L229-C251 HydrophobicContact CD1-CB 3.82Å; L229-C251 HydrophobicContact CD2-CB 3.96Å; H247-C251 PolarHBondContact O-N 3.4Å; H247-C251 PolarHBondContact O-SG 2.87Å; V248-C251 WeakPolarHBondContact O-CB 3.44Å; V248-C251 PolarHBondContact O-N 3.17Å; C251-C253 PolarHBondContact O-N 3.15Å; C251-R254 PolarHBondContact O-N 3.19Å; C251-L255 WeakPolarHBondContact O-CG 3.24Å; C251-L255 PolarHBondContact O-N 2.82Å |
| 252 | Y | 98.5 | Very high | 97.2 | Very high | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.008 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -60.1 | -45 | 177.5 | -80 | -62.5 | 0 | 0 | 0 | 112.8 | L229 G230 I233 V248 I249 R254 L255 T256 L265 L269 P270 L273 L295 | L229-Y252 HydrophobicContact CB-CE1 4.25Å; L229-Y252 HydrophobicContact CB-CE2 3.91Å; L229-Y252 WeakPolarHBondContact CB-OH 3.39Å; L229-Y252 HydrophobicContact CD1-CD1 4.46Å; L229-Y252 HydrophobicContact CD1-CE1 4.29Å; G230-Y252 WeakPolarHBondContact CA-OH 3.49Å; G230-Y252 PolarHBondContact N-OH 3.23Å; G230-Y252 VanDerWaalsContact N-OH 3.13Å; I233-Y252 HydrophobicContact CG1-CE2 4.06Å; V248-Y252 HydrophobicContact CG1-CD2 3.86Å; V248-Y252 HydrophobicContact CG1-CE2 3.64Å; V248-Y252 WeakPolarHBondContact O-CD2 3.48Å; V248-Y252 PolarHBondContact O-N 3.39Å; I249-Y252 PolarHBondContact O-N 3.12Å; Y252-R254 VanDerWaalsContact C-N 3.28Å; Y252-R254 PolarHBondContact O-N 3.18Å; Y252-L255 PolarHBondContact O-N 3.35Å; Y252-T256 WeakPolarHBondContact O-CG2 3.36Å; Y252-T256 PolarHBondContact O-N 3.27Å; Y252-L265 HydrophobicContact CD1-CD1 4.15Å; Y252-L265 HydrophobicContact CD1-CD2 3.67Å; Y252-L265 HydrophobicContact CE1-CD2 3.59Å; Y252-L269 HydrophobicContact CD1-CD1 3.92Å; Y252-L269 HydrophobicContact CD2-CD1 4.48Å; Y252-L269 HydrophobicContact CE1-CD1 4.02Å; Y252-L269 HydrophobicContact CG-CD1 4.16Å; Y252-P270 WeakPolarHBondContact OH-CD 3.32Å; Y252-L273 HydrophobicContact CD2-CD1 3.76Å; Y252-L273 HydrophobicContact CE2-CD1 3.72Å; Y252-L295 HydrophobicContact CG-CD2 4.28Å |
| 253 | C | 97.6 | Very high | 97.1 | Very high | 7 Ų | 7 | 40.6 Ų | 40.6 | 5% | 0.047 | 18% | 0.176 | C | C | . | . | H | α-helix | trans | -54.5 | -48.3 | 176.7 | -68.6 | 0 | 0 | 0 | 0 | 110.9 | I249 R250 C251 L255 T256 W291 | I249-C253 PolarHBondContact O-N 3.46Å; I249-C253 PolarHBondContact O-SG 3.38Å; R250-C253 PolarHBondContact O-N 2.99Å; C251-C253 PolarHBondContact O-N 3.15Å; C253-L255 PolarHBondContact O-N 3.07Å; C253-T256 PolarHBondContact O-N 2.96Å; C253-T256 VanDerWaalsContact O-N 3.14Å; C253-T256 PolarHBondContact O-OG1 3.38Å; C253-W291 HydrophobicContact CB-CE3 4.39Å; C253-W291 PolarHBondContact SG-O 3.39Å |
| 254 | R | 98.1 | Very high | 97.1 | Very high | 37 Ų | 37 | 37 Ų | 37 | 14% | 0.14 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -68.5 | -35.3 | -177.7 | -174 | 49.1 | 173 | 160.2 | 1.1 | 113 | L206 L207 D209 R250 C251 Y252 T256 D257 | L206-R254 HydrophobicContact CB-CB 4.38Å; L206-R254 HydrophobicContact CB-CG 3.94Å; L206-R254 WeakPolarHBondContact O-CD 3.5Å; L206-R254 WeakPolarHBondContact O-CG 3.2Å; L206-R254 PolarHBondContact O-NE 3.01Å; L207-R254 PolarHBondContact O-NH2 3.17Å; D209-R254 IonicContact OD1-CZ 3.43Å; D209-R254 IonicContact OD1-NH1 3.08Å; D209-R254 IonicContact OD1-NH2 3.5Å; D209-R254 PolarHBondContact OD1-NH2 3.33Å; R250-R254 WeakPolarHBondContact O-CB 3.15Å; R250-R254 PolarHBondContact O-N 2.76Å; R250-R254 VanDerWaalsContact O-N 3.07Å; C251-R254 PolarHBondContact O-N 3.19Å; Y252-R254 VanDerWaalsContact C-N 3.28Å; Y252-R254 PolarHBondContact O-N 3.18Å; R254-T256 PolarHBondContact O-N 3.27Å; R254-D257 WeakPolarHBondContact CD-OD2 3.45Å; R254-D257 IonicContact CZ-OD2 3.04Å; R254-D257 IonicContact NE-OD2 2.62Å; R254-D257 IonicContact NH1-OD2 3.74Å; R254-D257 PolarHBondContact NH1-OD2 3.26Å; R254-D257 WeakPolarHBondContact O-CB 3.45Å; R254-D257 PolarHBondContact O-N 3.12Å; R254-D257 VanDerWaalsContact O-N 3.14Å |
| 255 | L | 98.2 | Very high | 97 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -61 | -29.7 | 172.7 | -73.2 | 168.8 | 0 | 0 | 0 | 112.4 | L206 L212 I215 F222 V225 L229 C251 Y252 C253 D257 N258 A261 L265 | L206-L255 HydrophobicContact CD1-CG 4.37Å; L206-L255 HydrophobicContact CD2-CD2 3.72Å; L206-L255 HydrophobicContact CD2-CG 4.21Å; L212-L255 HydrophobicContact CD1-CD2 4.27Å; I215-L255 HydrophobicContact CG2-CD2 4.23Å; F222-L255 HydrophobicContact CD2-CD2 4.31Å; F222-L255 HydrophobicContact CE2-CD2 4.41Å; V225-L255 HydrophobicContact CG1-CD1 4.24Å; L229-L255 HydrophobicContact CD1-CD1 3.86Å; C251-L255 WeakPolarHBondContact O-CG 3.24Å; C251-L255 PolarHBondContact O-N 2.82Å; Y252-L255 PolarHBondContact O-N 3.35Å; C253-L255 PolarHBondContact O-N 3.07Å; L255-D257 PolarHBondContact O-N 3.15Å; L255-N258 PolarHBondContact O-N 2.83Å; L255-A261 WeakPolarHBondContact O-CB 3.48Å; L255-L265 HydrophobicContact CB-CD1 3.73Å |
| 256 | T | 97.3 | Very high | 96.8 | Very high | 4 Ų | 4 | 40.6 Ų | 40.6 | 3% | 0.025 | 18% | 0.183 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -70.9 | -9.5 | 177 | 66.3 | 0 | 0 | 0 | 0 | 114.9 | Y252 C253 R254 N258 L265 L295 N298 L299 | Y252-T256 WeakPolarHBondContact O-CG2 3.36Å; Y252-T256 PolarHBondContact O-N 3.27Å; C253-T256 PolarHBondContact O-N 2.96Å; C253-T256 VanDerWaalsContact O-N 3.14Å; C253-T256 PolarHBondContact O-OG1 3.38Å; R254-T256 PolarHBondContact O-N 3.27Å; T256-N258 PolarHBondContact O-N 3.07Å; T256-L265 HydrophobicContact CG2-CD1 4.05Å; T256-L295 HydrophobicContact CG2-CD1 3.55Å; T256-N298 HydrophobicContact CG2-CB 4.3Å; T256-N298 PolarHBondContact OG1-ND2 2.81Å; T256-L299 HydrophobicContact CG2-CD2 3.81Å; T256-L299 HydrophobicContact CG2-CG 4.2Å |
| 257 | D | 96.9 | Very high | 96.5 | Very high | 88 Ų | 88 | 45.6 Ų | 45.6 | 47% | 0.471 | 21% | 0.208 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -75.7 | -13.5 | 174.1 | -62.2 | -18.9 | 0 | 0 | 0 | 111.9 | L212 R254 L255 | L212-D257 HydrophobicContact CD2-CB 3.97Å; R254-D257 WeakPolarHBondContact CD-OD2 3.45Å; R254-D257 IonicContact CZ-OD2 3.04Å; R254-D257 IonicContact NE-OD2 2.62Å; R254-D257 IonicContact NH1-OD2 3.74Å; R254-D257 PolarHBondContact NH1-OD2 3.26Å; R254-D257 WeakPolarHBondContact O-CB 3.45Å; R254-D257 PolarHBondContact O-N 3.12Å; R254-D257 VanDerWaalsContact O-N 3.14Å; L255-D257 PolarHBondContact O-N 3.15Å |
| 258 | N | 96.7 | Very high | 96.3 | Very high | 25 Ų | 25 | 47.8 Ų | 47.8 | 13% | 0.134 | 22% | 0.224 | C | C | . | . | S | Bend | trans | -100.7 | 121.6 | 171.2 | -179.3 | -81.5 | 0 | 0 | 0 | 110.1 | L212 C216 L255 T256 R260 A261 K262 | L212-N258 HydrophobicContact CD1-CB 4.42Å; C216-N258 HydrophobicContact CB-CB 4.12Å; L255-N258 PolarHBondContact O-N 2.83Å; T256-N258 PolarHBondContact O-N 3.07Å; N258-R260 VanDerWaalsContact C-N 3.34Å; N258-R260 PolarHBondContact O-N 3.39Å; N258-R260 WeakPolarHBondContact OD1-CB 3.35Å; N258-R260 PolarHBondContact OD1-N 2.82Å; N258-A261 HydrophobicContact CB-CB 4.04Å; N258-A261 PolarHBondContact O-N 3.02Å; N258-A261 PolarHBondContact OD1-N 3.46Å; N258-A261 VanDerWaalsContact OD1-N 3.13Å; N258-K262 VanDerWaalsContact O-CB 3.29Å; N258-K262 WeakPolarHBondContact O-CB 3.49Å; N258-K262 PolarHBondContact O-N 3.17Å |
| 259 | E | 94.7 | Very high | 96.2 | Very high | 109 Ų | 109 | 48 Ų | 48 | 51% | 0.509 | 23% | 0.226 | S | C | . | . | H | α-helix | trans | -58.8 | -39.1 | -174.2 | -71.4 | -60.6 | 148.9 | 0 | 0 | 113.7 | K262 E263 | E259-K262 WeakPolarHBondContact O-CB 3.49Å; E259-K262 PolarHBondContact O-N 2.76Å; E259-K262 IonicContact OE1-NZ 2.61Å; E259-K262 IonicContact OE2-NZ 2.88Å; E259-E263 WeakPolarHBondContact O-CG 3.21Å; E259-E263 PolarHBondContact O-N 2.96Å |
| 260 | R | 93.9 | Very high | 96.1 | Very high | 183 Ų | 183 | 48.9 Ų | 48.9 | 69% | 0.691 | 23% | 0.231 | S | C | * | . | H | α-helix | trans | -66.5 | -45 | 178 | -65.3 | -179.8 | 177.2 | 177.6 | -1.7 | 111.8 | N258 K262 E263 A264 | N258-R260 VanDerWaalsContact C-N 3.34Å; N258-R260 PolarHBondContact O-N 3.39Å; N258-R260 WeakPolarHBondContact OD1-CB 3.35Å; N258-R260 PolarHBondContact OD1-N 2.82Å; R260-K262 VanDerWaalsContact C-N 3.34Å; R260-E263 PolarHBondContact O-N 2.95Å; R260-A264 PolarHBondContact O-N 3.32Å; R260-A264 VanDerWaalsContact O-N 3.13Å |
| 261 | A | 96.2 | Very high | 95.9 | Very high | 2 Ų | 2 | 50.9 Ų | 50.9 | 2% | 0.017 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -64.9 | -41.2 | 176.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | F222 L255 N258 A264 L265 | F222-A261 HydrophobicContact CD2-CB 3.7Å; F222-A261 HydrophobicContact CE2-CB 3.42Å; F222-A261 VanDerWaalsContact CE2-CB 3.42Å; F222-A261 HydrophobicContact CZ-CB 4.16Å; L255-A261 WeakPolarHBondContact O-CB 3.48Å; N258-A261 HydrophobicContact CB-CB 4.04Å; N258-A261 PolarHBondContact O-N 3.02Å; N258-A261 PolarHBondContact OD1-N 3.46Å; N258-A261 VanDerWaalsContact OD1-N 3.13Å; A261-A264 PolarHBondContact O-N 2.89Å; A261-L265 WeakPolarHBondContact O-CB 3.48Å; A261-L265 VanDerWaalsContact O-CG 3.23Å; A261-L265 WeakPolarHBondContact O-CG 3.46Å; A261-L265 PolarHBondContact O-N 3.37Å |
| 262 | K | 96.2 | Very high | 95.8 | Very high | 25 Ų | 25 | 53.1 Ų | 53.1 | 11% | 0.109 | 26% | 0.257 | C | S | . | . | H | α-helix | trans | -58 | -47.8 | 175.3 | -175 | -172 | -177.9 | -173.6 | 0 | 111.6 | N258 E259 R260 L265 R266 N298 L299 | N258-K262 VanDerWaalsContact O-CB 3.29Å; N258-K262 WeakPolarHBondContact O-CB 3.49Å; N258-K262 PolarHBondContact O-N 3.17Å; E259-K262 WeakPolarHBondContact O-CB 3.49Å; E259-K262 PolarHBondContact O-N 2.76Å; E259-K262 IonicContact OE1-NZ 2.61Å; E259-K262 IonicContact OE2-NZ 2.88Å; R260-K262 VanDerWaalsContact C-N 3.34Å; K262-L265 PolarHBondContact O-N 3.41Å; K262-R266 WeakPolarHBondContact O-CG 3.46Å; K262-R266 PolarHBondContact O-N 2.99Å; K262-R266 VanDerWaalsContact O-N 3.16Å; K262-N298 WeakPolarHBondContact CE-O 3.49Å; K262-L299 HydrophobicContact CG-CD2 4.2Å; K262-L299 WeakPolarHBondContact O-CD2 3.43Å |
| 263 | E | 94.7 | Very high | 95.6 | Very high | 112 Ų | 112 | 53.1 Ų | 53.1 | 52% | 0.523 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.8 | -47.1 | 175.8 | -77.1 | 172.5 | -173.1 | 0 | 0 | 112.5 | E259 R260 R266 | E259-E263 WeakPolarHBondContact O-CG 3.21Å; E259-E263 PolarHBondContact O-N 2.96Å; R260-E263 PolarHBondContact O-N 2.95Å; E263-R266 WeakPolarHBondContact O-CB 3.4Å; E263-R266 PolarHBondContact O-N 2.69Å |
| 264 | A | 94.7 | Very high | 95.4 | Very high | 31 Ų | 31 | 57.7 Ų | 57.7 | 26% | 0.256 | 28% | 0.276 | S | S | . | . | H | α-helix | trans | -64.8 | -41.3 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | F222 R260 A261 R266 Q267 C268 | F222-A264 HydrophobicContact CD1-CB 4.45Å; F222-A264 HydrophobicContact CE1-CB 3.42Å; F222-A264 VanDerWaalsContact CE1-CB 3.42Å; F222-A264 HydrophobicContact CZ-CB 3.71Å; R260-A264 PolarHBondContact O-N 3.32Å; R260-A264 VanDerWaalsContact O-N 3.13Å; A261-A264 PolarHBondContact O-N 2.89Å; A264-R266 PolarHBondContact O-N 3.15Å; A264-Q267 PolarHBondContact O-N 3.03Å; A264-C268 PolarHBondContact O-N 3.28Å; A264-C268 VanDerWaalsContact O-N 3.14Å; A264-C268 PolarHBondContact O-SG 3.45Å; A264-C268 VanDerWaalsContact O-SG 3.35Å |
| 265 | L | 96 | Very high | 95.1 | Very high | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 29% | 0.291 | C | S | . | . | H | α-helix | trans | -62.9 | -27.9 | 178.1 | -75.4 | 177.3 | 0 | 0 | 0 | 113.1 | F222 Y252 L255 T256 A261 K262 Q267 C268 L269 L299 | F222-L265 HydrophobicContact CE2-CG 4.39Å; F222-L265 HydrophobicContact CZ-CD2 4.3Å; F222-L265 HydrophobicContact CZ-CG 4.13Å; Y252-L265 HydrophobicContact CD1-CD1 4.15Å; Y252-L265 HydrophobicContact CD1-CD2 3.67Å; Y252-L265 HydrophobicContact CE1-CD2 3.59Å; L255-L265 HydrophobicContact CB-CD1 3.73Å; T256-L265 HydrophobicContact CG2-CD1 4.05Å; A261-L265 WeakPolarHBondContact O-CB 3.48Å; A261-L265 VanDerWaalsContact O-CG 3.23Å; A261-L265 WeakPolarHBondContact O-CG 3.46Å; A261-L265 PolarHBondContact O-N 3.37Å; K262-L265 PolarHBondContact O-N 3.41Å; L265-Q267 PolarHBondContact O-N 3.47Å; L265-C268 PolarHBondContact O-N 2.98Å; L265-L269 VanDerWaalsContact O-CB 3.24Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 PolarHBondContact O-N 2.95Å; L265-L299 HydrophobicContact CB-CD2 3.8Å |
| 266 | R | 94.1 | Very high | 94.8 | Very high | 75 Ų | 75 | 63.5 Ų | 63.5 | 28% | 0.283 | 32% | 0.32 | S | S | . | . | H | α-helix | trans | -58.1 | -31.6 | 172.4 | -68.8 | -177.2 | -175.8 | 112.5 | -2.1 | 112 | K262 E263 A264 L299 T301 | K262-R266 WeakPolarHBondContact O-CG 3.46Å; K262-R266 PolarHBondContact O-N 2.99Å; K262-R266 VanDerWaalsContact O-N 3.16Å; E263-R266 WeakPolarHBondContact O-CB 3.4Å; E263-R266 PolarHBondContact O-N 2.69Å; A264-R266 PolarHBondContact O-N 3.15Å; R266-L299 WeakPolarHBondContact CD-O 3.48Å; R266-L299 HydrophobicContact CG-CB 4.2Å; R266-L299 HydrophobicContact CG-CD2 3.96Å; R266-L299 PolarHBondContact NE-O 3Å; R266-T301 PolarHBondContact NH2-O 2.88Å |
| 267 | Q | 91.6 | Very high | 94.7 | Very high | 177 Ų | 177 | 66.3 Ų | 66.3 | 83% | 0.827 | 34% | 0.338 | S | S | * | . | H | α-helix | trans | -93.3 | -30.1 | -176.8 | -59 | -179.5 | 1.1 | 0 | 0 | 112.9 | A264 L265 | A264-Q267 PolarHBondContact O-N 3.03Å; L265-Q267 PolarHBondContact O-N 3.47Å |
| 268 | C | 93.2 | Very high | 94.6 | Very high | 67 Ų | 67 | 62.5 Ų | 62.5 | 45% | 0.453 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -116.4 | 5 | -171.4 | 75.3 | 0 | 0 | 0 | 0 | 115.5 | A264 L265 P270 | A264-C268 PolarHBondContact O-N 3.28Å; A264-C268 VanDerWaalsContact O-N 3.14Å; A264-C268 PolarHBondContact O-SG 3.45Å; A264-C268 VanDerWaalsContact O-SG 3.35Å; L265-C268 PolarHBondContact O-N 2.98Å; C268-P270 WeakPolarHBondContact O-CD 3.39Å |
| 269 | L | 95.8 | Very high | 94.4 | Very high | 6 Ų | 6 | 65.8 Ų | 65.8 | 3% | 0.031 | 34% | 0.337 | C | S | . | . | trans | -61.9 | 126 | 175.4 | -171.1 | 78.6 | 0 | 0 | 0 | 110.2 | Y252 L265 D271 L273 K274 L295 L296 L299 | Y252-L269 HydrophobicContact CD1-CD1 3.92Å; Y252-L269 HydrophobicContact CD2-CD1 4.48Å; Y252-L269 HydrophobicContact CE1-CD1 4.02Å; Y252-L269 HydrophobicContact CG-CD1 4.16Å; L265-L269 VanDerWaalsContact O-CB 3.24Å; L265-L269 WeakPolarHBondContact O-CB 3.4Å; L265-L269 PolarHBondContact O-N 2.95Å; L269-D271 PolarHBondContact O-N 3.48Å; L269-L273 HydrophobicContact CD1-CD1 3.85Å; L269-L273 HydrophobicContact CD2-CB 4.35Å; L269-L273 HydrophobicContact CG-CB 4.5Å; L269-L273 HydrophobicContact CG-CD1 4.32Å; L269-K274 HydrophobicContact CD2-CG 4.11Å; L269-K274 WeakPolarHBondContact O-CE 3.34Å; L269-K274 PolarHBondContact O-NZ 3.35Å; L269-K274 VanDerWaalsContact O-NZ 3.07Å; L269-L295 HydrophobicContact CD1-CD2 4.16Å; L269-L296 HydrophobicContact CD2-CD2 3.96Å; L269-L299 HydrophobicContact CB-CD1 4.37Å; L269-L299 HydrophobicContact CD1-CD1 4.37Å; L269-L299 HydrophobicContact CD2-CD1 3.72Å; L269-L299 HydrophobicContact CG-CD1 4.38Å | ||
| 270 | P | 96.2 | Very high | 94.2 | Very high | 17 Ų | 17 | 63 Ų | 63 | 11% | 0.11 | 34% | 0.339 | C | S | . | . | trans | -56.6 | 136.2 | 178 | -24.6 | 32.9 | 0 | 0 | 0 | 112.7 | I233 Y252 C268 Q272 L273 | I233-P270 HydrophobicContact CB-CB 4.16Å; I233-P270 HydrophobicContact CB-CG 4.11Å; I233-P270 HydrophobicContact CG1-CG 4.27Å; I233-P270 HydrophobicContact CG2-CB 3.7Å; I233-P270 HydrophobicContact CG2-CG 4.2Å; Y252-P270 WeakPolarHBondContact OH-CD 3.32Å; C268-P270 WeakPolarHBondContact O-CD 3.39Å; P270-Q272 PolarHBondContact O-N 3.16Å; P270-L273 PolarHBondContact O-N 3.29Å; P270-L273 VanDerWaalsContact O-N 3.11Å | ||
| 271 | D | 94.7 | Very high | 94.1 | Very high | 102 Ų | 102 | 55.9 Ų | 55.9 | 55% | 0.545 | 32% | 0.316 | S | S | . | . | G | 310 helix | trans | -66.5 | -23.9 | -175.2 | -64.3 | -36.2 | 0 | 0 | 0 | 113.3 | L269 L273 K274 D275 | L269-D271 PolarHBondContact O-N 3.48Å; D271-L273 PolarHBondContact O-N 3.09Å; D271-L273 VanDerWaalsContact O-N 3.13Å; D271-K274 WeakPolarHBondContact O-CA 3.44Å; D271-K274 WeakPolarHBondContact O-CB 3.41Å; D271-K274 PolarHBondContact O-N 3.16Å; D271-K274 IonicContact OD1-NZ 3.6Å; D271-K274 PolarHBondContact OD1-NZ 3.24Å; D271-D275 PolarHBondContact O-N 3.32Å |
| 272 | Q | 96.1 | Very high | 93.9 | Very high | 47 Ų | 47 | 56.1 Ų | 56.1 | 22% | 0.22 | 32% | 0.317 | C | S | . | . | G | 310 helix | trans | -63.1 | -19.1 | 175.3 | -61.3 | 78.7 | 13.5 | 0 | 0 | 113.1 | I233 A237 P270 D275 T277 F278 | I233-Q272 HydrophobicContact CG2-CB 3.82Å; A237-Q272 HydrophobicContact CB-CG 4.07Å; P270-Q272 PolarHBondContact O-N 3.16Å; Q272-D275 WeakPolarHBondContact CA-OD1 3.38Å; Q272-T277 HydrophobicContact CB-CG2 4.17Å; Q272-T277 HydrophobicContact CG-CG2 4.32Å; Q272-F278 HydrophobicContact CB-CE2 3.76Å; Q272-F278 HydrophobicContact CB-CZ 4.26Å; Q272-F278 WeakPolarHBondContact O-CD2 3.38Å; Q272-F278 WeakPolarHBondContact O-CE2 3.39Å |
| 273 | L | 95.6 | Very high | 93.6 | Very high | 2 Ų | 2 | 63.2 Ų | 63.2 | 1% | 0.01 | 34% | 0.343 | C | S | . | . | G | 310 helix | trans | -85.2 | -14.5 | 171.9 | -71.5 | 177.4 | 0 | 0 | 0 | 112.9 | I233 L245 I249 Y252 L269 P270 D271 F278 L292 L295 | I233-L273 HydrophobicContact CD1-CD1 4Å; I233-L273 HydrophobicContact CD1-CD2 3.71Å; I233-L273 HydrophobicContact CD1-CG 3.93Å; I233-L273 HydrophobicContact CG1-CD1 4.03Å; I233-L273 HydrophobicContact CG1-CG 4.21Å; I233-L273 HydrophobicContact CG2-CG 4.32Å; L245-L273 HydrophobicContact CD1-CD2 4.27Å; I249-L273 HydrophobicContact CD1-CD2 4.35Å; I249-L273 HydrophobicContact CG1-CD2 4Å; Y252-L273 HydrophobicContact CD2-CD1 3.76Å; Y252-L273 HydrophobicContact CE2-CD1 3.72Å; L269-L273 HydrophobicContact CD1-CD1 3.85Å; L269-L273 HydrophobicContact CD2-CB 4.35Å; L269-L273 HydrophobicContact CG-CB 4.5Å; L269-L273 HydrophobicContact CG-CD1 4.32Å; P270-L273 PolarHBondContact O-N 3.29Å; P270-L273 VanDerWaalsContact O-N 3.11Å; D271-L273 PolarHBondContact O-N 3.09Å; D271-L273 VanDerWaalsContact O-N 3.13Å; L273-F278 HydrophobicContact CD2-CD2 4.1Å; L273-F278 HydrophobicContact CD2-CE2 4.12Å; L273-L292 HydrophobicContact CB-CD1 4.21Å; L273-L292 HydrophobicContact CD2-CD1 3.99Å; L273-L295 HydrophobicContact CD1-CD2 4.45Å |
| 274 | K | 92.9 | Very high | 93.5 | Very high | 102 Ų | 102 | 65.1 Ų | 65.1 | 44% | 0.443 | 36% | 0.357 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -98.8 | -24.1 | -179.9 | -56.3 | 174.5 | -164.9 | 151.5 | 0 | 112.1 | L269 D271 L296 | L269-K274 HydrophobicContact CD2-CG 4.11Å; L269-K274 WeakPolarHBondContact O-CE 3.34Å; L269-K274 PolarHBondContact O-NZ 3.35Å; L269-K274 VanDerWaalsContact O-NZ 3.07Å; D271-K274 WeakPolarHBondContact O-CA 3.44Å; D271-K274 WeakPolarHBondContact O-CB 3.41Å; D271-K274 PolarHBondContact O-N 3.16Å; D271-K274 IonicContact OD1-NZ 3.6Å; D271-K274 PolarHBondContact OD1-NZ 3.24Å; K274-L296 HydrophobicContact CG-CD2 4.1Å |
| 275 | D | 92.2 | Very high | 93.4 | Very high | 86 Ų | 86 | 65.3 Ų | 65.3 | 46% | 0.46 | 35% | 0.354 | S | S | . | . | S | Bend | trans | -97.5 | -166.4 | -178.3 | 71.2 | 21.1 | 0 | 0 | 0 | 113 | D271 Q272 T277 | D271-D275 PolarHBondContact O-N 3.32Å; Q272-D275 WeakPolarHBondContact CA-OD1 3.38Å; D275-T277 VanDerWaalsContact C-N 3.35Å; D275-T277 VanDerWaalsContact CG-OG1 3.24Å; D275-T277 WeakPolarHBondContact OD1-CB 3.39Å; D275-T277 PolarHBondContact OD1-N 3.11Å; D275-T277 PolarHBondContact OD1-OG1 2.91Å; D275-T277 PolarHBondContact OD2-OG1 3.17Å |
| 276 | A | 90.7 | Very high | 93.4 | Very high | 73 Ų | 73 | 73.5 Ų | 73.5 | 60% | 0.603 | 39% | 0.389 | S | S | * | . | S | Bend | trans | -86.6 | 4.7 | -178 | 0 | 0 | 0 | 0 | 0 | 114.7 | F278 V279 | A276-F278 VanDerWaalsContact C-N 3.27Å; A276-F278 PolarHBondContact O-N 3.46Å; A276-F278 VanDerWaalsContact O-N 3.16Å; A276-V279 HydrophobicContact CB-CG2 3.97Å; A276-V279 WeakPolarHBondContact O-CB 3.37Å; A276-V279 WeakPolarHBondContact O-CG2 3.45Å; A276-V279 PolarHBondContact O-N 2.92Å; A276-V279 VanDerWaalsContact O-N 3.1Å |
| 277 | T | 95.1 | Very high | 93.4 | Very high | 64 Ų | 64 | 72.3 Ų | 72.3 | 39% | 0.393 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -51.5 | -44.2 | -172.5 | -64.3 | 0 | 0 | 0 | 0 | 112.2 | A237 Q272 D275 | A237-T277 HydrophobicContact CB-CG2 3.92Å; Q272-T277 HydrophobicContact CB-CG2 4.17Å; Q272-T277 HydrophobicContact CG-CG2 4.32Å; D275-T277 VanDerWaalsContact C-N 3.35Å; D275-T277 VanDerWaalsContact CG-OG1 3.24Å; D275-T277 WeakPolarHBondContact OD1-CB 3.39Å; D275-T277 PolarHBondContact OD1-N 3.11Å; D275-T277 PolarHBondContact OD1-OG1 2.91Å; D275-T277 PolarHBondContact OD2-OG1 3.17Å |
| 278 | F | 95.5 | Very high | 93.6 | Very high | 7 Ų | 7 | 63.9 Ų | 63.9 | 3% | 0.031 | 35% | 0.353 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.7 | 6.9 | -175.7 | -60.8 | -60.3 | 0 | 0 | 0 | 115.3 | I233 L236 A237 L245 Q272 L273 A276 G280 C281 L282 | I233-F278 HydrophobicContact CD1-CE2 4.34Å; I233-F278 HydrophobicContact CG2-CE2 3.92Å; I233-F278 HydrophobicContact CG2-CZ 4.09Å; L236-F278 HydrophobicContact CB-CE1 3.76Å; L236-F278 HydrophobicContact CB-CZ 3.89Å; A237-F278 HydrophobicContact CB-CZ 4.38Å; L245-F278 HydrophobicContact CD1-CD1 4.26Å; L245-F278 HydrophobicContact CD1-CD2 4.02Å; L245-F278 HydrophobicContact CD1-CE1 4.34Å; L245-F278 HydrophobicContact CD1-CE2 4.09Å; L245-F278 HydrophobicContact CD1-CG 4.11Å; L245-F278 HydrophobicContact CD1-CZ 4.25Å; L245-F278 HydrophobicContact CD2-CB 3.7Å; L245-F278 HydrophobicContact CD2-CD1 3.68Å; L245-F278 HydrophobicContact CD2-CD2 4.33Å; L245-F278 HydrophobicContact CD2-CE1 4.42Å; L245-F278 HydrophobicContact CD2-CG 3.63Å; Q272-F278 HydrophobicContact CB-CE2 3.76Å; Q272-F278 HydrophobicContact CB-CZ 4.26Å; Q272-F278 WeakPolarHBondContact O-CD2 3.38Å; Q272-F278 WeakPolarHBondContact O-CE2 3.39Å; L273-F278 HydrophobicContact CD2-CD2 4.1Å; L273-F278 HydrophobicContact CD2-CE2 4.12Å; A276-F278 VanDerWaalsContact C-N 3.27Å; A276-F278 PolarHBondContact O-N 3.46Å; A276-F278 VanDerWaalsContact O-N 3.16Å; F278-G280 VanDerWaalsContact C-N 3.26Å; F278-G280 PolarHBondContact O-N 3.47Å; F278-C281 HydrophobicContact CD1-CB 4.48Å; F278-C281 PolarHBondContact O-N 3.44Å; F278-C281 VanDerWaalsContact O-N 3.11Å; F278-L282 HydrophobicContact CB-CD1 4.12Å; F278-L282 HydrophobicContact CB-CG 4.25Å; F278-L282 WeakPolarHBondContact O-CB 3.44Å; F278-L282 WeakPolarHBondContact O-CG 3.25Å; F278-L282 PolarHBondContact O-N 3.03Å |
| 279 | V | 91.9 | Very high | 93.7 | Very high | 94 Ų | 94 | 63.6 Ų | 63.6 | 57% | 0.57 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.6 | -39.9 | -179.1 | 172.5 | 0 | 0 | 0 | 0 | 111.6 | A276 R283 | A276-V279 HydrophobicContact CB-CG2 3.97Å; A276-V279 WeakPolarHBondContact O-CB 3.37Å; A276-V279 WeakPolarHBondContact O-CG2 3.45Å; A276-V279 PolarHBondContact O-N 2.92Å; A276-V279 VanDerWaalsContact O-N 3.1Å; V279-R283 PolarHBondContact O-N 3.4Å |
| 280 | G | 91.8 | Very high | 93.7 | Very high | 52 Ų | 52 | 68.6 Ų | 68.6 | 54% | 0.536 | 37% | 0.368 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.9 | -44.8 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | F278 L282 | F278-G280 VanDerWaalsContact C-N 3.26Å; F278-G280 PolarHBondContact O-N 3.47Å; G280-L282 VanDerWaalsContact C-N 3.31Å; G280-L282 PolarHBondContact O-N 3.17Å |
| 281 | C | 90.9 | Very high | 93.7 | Very high | 33 Ų | 33 | 71.3 Ų | 71.3 | 22% | 0.223 | 38% | 0.376 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -66.9 | -31.9 | -178.9 | -166.7 | 0 | 0 | 0 | 0 | 112.7 | A242 L245 F278 | A242-C281 WeakPolarHBondContact CA-SG 3.38Å; A242-C281 PolarHBondContact N-SG 3.13Å; A242-C281 VanDerWaalsContact N-SG 3.43Å; L245-C281 HydrophobicContact CD2-CB 4.27Å; F278-C281 HydrophobicContact CD1-CB 4.48Å; F278-C281 PolarHBondContact O-N 3.44Å; F278-C281 VanDerWaalsContact O-N 3.11Å |
| 282 | L | 92.1 | Very high | 93.8 | Very high | 6 Ų | 6 | 67.7 Ų | 67.7 | 3% | 0.031 | 36% | 0.357 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -95.3 | -1.7 | -175.6 | -65.3 | 179.1 | 0 | 0 | 0 | 114.3 | L245 I249 F278 G280 D284 D285 T288 Q289 L292 | L245-L282 HydrophobicContact CD2-CD1 4.3Å; L245-L282 HydrophobicContact CD2-CD2 3.63Å; L245-L282 HydrophobicContact CD2-CG 3.86Å; L245-L282 HydrophobicContact CG-CD2 4.34Å; I249-L282 HydrophobicContact CD1-CD1 4.35Å; F278-L282 HydrophobicContact CB-CD1 4.12Å; F278-L282 HydrophobicContact CB-CG 4.25Å; F278-L282 WeakPolarHBondContact O-CB 3.44Å; F278-L282 WeakPolarHBondContact O-CG 3.25Å; F278-L282 PolarHBondContact O-N 3.03Å; G280-L282 VanDerWaalsContact C-N 3.31Å; G280-L282 PolarHBondContact O-N 3.17Å; L282-D284 VanDerWaalsContact C-N 3.26Å; L282-D284 PolarHBondContact O-N 2.82Å; L282-D284 VanDerWaalsContact O-N 3.1Å; L282-D285 PolarHBondContact O-N 2.95Å; L282-T288 HydrophobicContact CD2-CG2 3.42Å; L282-T288 VanDerWaalsContact CD2-CG2 3.42Å; L282-Q289 HydrophobicContact CB-CG 3.92Å; L282-Q289 PolarHBondContact O-NE2 3.02Å; L282-L292 HydrophobicContact CD1-CD2 3.79Å |
| 283 | R | 90.4 | Very high | 93.8 | Very high | 174 Ų | 174 | 72.3 Ų | 72.3 | 66% | 0.657 | 38% | 0.376 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -48.3 | -45.2 | -168.8 | -173.4 | -179.4 | -63.2 | -179.2 | 1.2 | 113.7 | V279 Q289 | V279-R283 PolarHBondContact O-N 3.4Å; R283-Q289 PolarHBondContact O-NE2 3.37Å |
| 284 | D | 91.5 | Very high | 93.8 | Very high | 152 Ų | 152 | 74.4 Ų | 74.4 | 81% | 0.813 | 39% | 0.386 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -100.5 | -5.7 | -175.3 | -56.9 | -47.3 | 0 | 0 | 0 | 113.7 | L282 K286 | L282-D284 VanDerWaalsContact C-N 3.26Å; L282-D284 PolarHBondContact O-N 2.82Å; L282-D284 VanDerWaalsContact O-N 3.1Å; D284-K286 PolarHBondContact O-N 3.4Å |
| 285 | D | 94.1 | Very high | 94 | Very high | 36 Ų | 36 | 69.6 Ų | 69.6 | 19% | 0.193 | 37% | 0.365 | C | S | . | . | trans | -99.6 | 77.7 | 178 | -169 | -10.6 | 0 | 0 | 0 | 111.6 | L282 S287 T288 Q289 | L282-D285 PolarHBondContact O-N 2.95Å; D285-S287 PolarHBondContact O-N 2.95Å; D285-S287 WeakPolarHBondContact OD1-CB 3.45Å; D285-S287 PolarHBondContact OD1-N 3.16Å; D285-S287 PolarHBondContact OD1-OG 3.34Å; D285-T288 PolarHBondContact O-N 2.96Å; D285-T288 PolarHBondContact OD1-N 3.5Å; D285-T288 PolarHBondContact OD1-OG1 3.31Å; D285-T288 WeakPolarHBondContact OD2-CB 3.25Å; D285-T288 PolarHBondContact OD2-OG1 2.95Å; D285-Q289 WeakPolarHBondContact O-CG 3.43Å; D285-Q289 PolarHBondContact O-N 3.2Å | ||
| 286 | K | 94.3 | Very high | 94.2 | Very high | 171 Ų | 171 | 67.9 Ų | 67.9 | 74% | 0.743 | 36% | 0.355 | S | S | * | . | H | α-helix | trans | -55.2 | -33.4 | 176.8 | -64.2 | -176.8 | -178 | 177.6 | 0 | 112.8 | D284 H290 | D284-K286 PolarHBondContact O-N 3.4Å; K286-H290 PolarHBondContact O-N 3.37Å |
| 287 | S | 95.1 | Very high | 94.4 | Very high | 50 Ų | 50 | 71.9 Ų | 71.9 | 35% | 0.35 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -65.7 | -47.4 | -179.5 | 76.7 | 0 | 0 | 0 | 0 | 110.6 | D285 H290 W291 | D285-S287 PolarHBondContact O-N 2.95Å; D285-S287 WeakPolarHBondContact OD1-CB 3.45Å; D285-S287 PolarHBondContact OD1-N 3.16Å; D285-S287 PolarHBondContact OD1-OG 3.34Å; S287-H290 WeakPolarHBondContact O-CB 3.38Å; S287-H290 PolarHBondContact O-N 2.87Å; S287-W291 PolarHBondContact O-N 3.34Å; S287-W291 VanDerWaalsContact O-N 3.08Å |
| 288 | T | 95.4 | Very high | 94.3 | Very high | 0 Ų | 0 | 70.1 Ų | 70.1 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -71 | -34.9 | 179.9 | -58.5 | 0 | 0 | 0 | 0 | 111.8 | K246 I249 L282 D285 H290 W291 L292 | K246-T288 HydrophobicContact CB-CG2 4.21Å; K246-T288 VanDerWaalsContact CG-OG1 3.31Å; K246-T288 WeakPolarHBondContact CG-OG1 3.05Å; I249-T288 HydrophobicContact CB-CG2 4.39Å; I249-T288 HydrophobicContact CD1-CG2 3.52Å; I249-T288 HydrophobicContact CG2-CG2 4.49Å; L282-T288 HydrophobicContact CD2-CG2 3.42Å; L282-T288 VanDerWaalsContact CD2-CG2 3.42Å; D285-T288 PolarHBondContact O-N 2.96Å; D285-T288 PolarHBondContact OD1-N 3.5Å; D285-T288 PolarHBondContact OD1-OG1 3.31Å; D285-T288 WeakPolarHBondContact OD2-CB 3.25Å; D285-T288 PolarHBondContact OD2-OG1 2.95Å; T288-H290 VanDerWaalsContact C-N 3.32Å; T288-H290 PolarHBondContact O-N 3.34Å; T288-W291 PolarHBondContact O-N 2.95Å; T288-L292 PolarHBondContact O-N 3.49Å |
| 289 | Q | 95.5 | Very high | 94.2 | Very high | 62 Ų | 62 | 70.4 Ų | 70.4 | 29% | 0.29 | 35% | 0.345 | S | S | . | . | H | α-helix | trans | -58.9 | -42.2 | 169.9 | -69 | -179.3 | 6.2 | 0 | 0 | 112.3 | L282 R283 D285 L292 K293 | L282-Q289 HydrophobicContact CB-CG 3.92Å; L282-Q289 PolarHBondContact O-NE2 3.02Å; R283-Q289 PolarHBondContact O-NE2 3.37Å; D285-Q289 WeakPolarHBondContact O-CG 3.43Å; D285-Q289 PolarHBondContact O-N 3.2Å; Q289-L292 PolarHBondContact O-N 3.23Å; Q289-K293 WeakPolarHBondContact O-CG 3.29Å; Q289-K293 PolarHBondContact O-N 3.45Å |
| 290 | H | 96.4 | Very high | 94.1 | Very high | 111 Ų | 111 | 71.3 Ų | 71.3 | 51% | 0.514 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -61.9 | -46.9 | 176 | 174.2 | -86.3 | 0 | 0 | 0 | 111.2 | K286 S287 T288 L292 K293 Q294 | K286-H290 PolarHBondContact O-N 3.37Å; S287-H290 WeakPolarHBondContact O-CB 3.38Å; S287-H290 PolarHBondContact O-N 2.87Å; T288-H290 VanDerWaalsContact C-N 3.32Å; T288-H290 PolarHBondContact O-N 3.34Å; H290-L292 VanDerWaalsContact C-N 3.34Å; H290-L292 PolarHBondContact O-N 3.11Å; H290-K293 PolarHBondContact O-N 3.1Å; H290-Q294 PolarHBondContact CE1-OE1 3.25Å; H290-Q294 WeakPolarHBondContact O-CB 3.42Å; H290-Q294 PolarHBondContact O-N 3.39Å |
| 291 | W | 96.3 | Very high | 93.1 | Very high | 73 Ų | 73 | 72.6 Ų | 72.6 | 28% | 0.277 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.8 | -42.7 | 176.5 | -67.7 | 117.5 | 0 | 0 | 0 | 112.2 | I249 R250 C253 S287 T288 K293 Q294 L295 | I249-W291 HydrophobicContact CG2-CB 3.77Å; R250-W291 VanDerWaalsContact NH1-CE2 3.32Å; R250-W291 VanDerWaalsContact NH1-NE1 3.14Å; C253-W291 HydrophobicContact CB-CE3 4.39Å; C253-W291 PolarHBondContact SG-O 3.39Å; S287-W291 PolarHBondContact O-N 3.34Å; S287-W291 VanDerWaalsContact O-N 3.08Å; T288-W291 PolarHBondContact O-N 2.95Å; W291-K293 PolarHBondContact O-N 2.72Å; W291-Q294 PolarHBondContact O-N 3.47Å; W291-L295 WeakPolarHBondContact O-CB 3.38Å; W291-L295 PolarHBondContact O-N 3Å |
| 292 | L | 96.7 | Very high | 91.5 | Very high | 26 Ų | 26 | 73.3 Ų | 73.3 | 14% | 0.136 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -61.7 | -44.5 | 176.4 | -175.7 | 57.2 | 0 | 0 | 0 | 112.1 | I249 L273 L282 T288 Q289 H290 Q294 L295 L296 | I249-L292 HydrophobicContact CD1-CB 4.3Å; I249-L292 HydrophobicContact CD1-CD1 4.37Å; I249-L292 HydrophobicContact CG1-CD1 4.48Å; I249-L292 HydrophobicContact CG2-CB 4.31Å; L273-L292 HydrophobicContact CB-CD1 4.21Å; L273-L292 HydrophobicContact CD2-CD1 3.99Å; L282-L292 HydrophobicContact CD1-CD2 3.79Å; T288-L292 PolarHBondContact O-N 3.49Å; Q289-L292 PolarHBondContact O-N 3.23Å; H290-L292 VanDerWaalsContact C-N 3.34Å; H290-L292 PolarHBondContact O-N 3.11Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.19Å; L292-L295 HydrophobicContact CD1-CD2 4.34Å; L292-L295 WeakPolarHBondContact O-CB 3.38Å; L292-L295 PolarHBondContact O-N 2.88Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3Å |
| 293 | K | 95.4 | Very high | 89.5 | Confident | 145 Ų | 145 | 77.4 Ų | 77.4 | 63% | 0.63 | 39% | 0.386 | S | S | * | . | H | α-helix | trans | -62 | -40.8 | 175.2 | -71.5 | 175.4 | -177.5 | 179 | 0 | 111.9 | Q289 H290 W291 L296 R297 | Q289-K293 WeakPolarHBondContact O-CG 3.29Å; Q289-K293 PolarHBondContact O-N 3.45Å; H290-K293 PolarHBondContact O-N 3.1Å; W291-K293 PolarHBondContact O-N 2.72Å; K293-L296 PolarHBondContact O-N 3.47Å; K293-R297 WeakPolarHBondContact O-CB 3.44Å; K293-R297 PolarHBondContact O-N 3.46Å |
| 294 | Q | 95.9 | Very high | 86.9 | Confident | 46 Ų | 46 | 78.6 Ų | 78.6 | 22% | 0.215 | 41% | 0.413 | C | S | . | . | H | α-helix | trans | -63.8 | -44.7 | 176.6 | 179.1 | 174.3 | -11.4 | 0 | 0 | 111.6 | H290 W291 L292 L296 R297 N298 | H290-Q294 PolarHBondContact CE1-OE1 3.25Å; H290-Q294 WeakPolarHBondContact O-CB 3.42Å; H290-Q294 PolarHBondContact O-N 3.39Å; W291-Q294 PolarHBondContact O-N 3.47Å; L292-Q294 VanDerWaalsContact C-N 3.32Å; L292-Q294 PolarHBondContact O-N 3.19Å; Q294-L296 PolarHBondContact O-N 2.85Å; Q294-R297 PolarHBondContact O-N 3.3Å; Q294-N298 WeakPolarHBondContact O-CB 3.4Å; Q294-N298 PolarHBondContact O-N 3.09Å; Q294-N298 PolarHBondContact O-OD1 3.22Å |
| 295 | L | 96.7 | Very high | 86.6 | Confident | 0 Ų | 0 | 75 Ų | 75 | 0% | 0 | 39% | 0.393 | C | S | . | . | H | α-helix | trans | -54.9 | -52.8 | 174.5 | 171.4 | 59.4 | 0 | 0 | 0 | 111.3 | Y252 T256 L269 L273 W291 L292 R297 N298 L299 | Y252-L295 HydrophobicContact CG-CD2 4.28Å; T256-L295 HydrophobicContact CG2-CD1 3.55Å; L269-L295 HydrophobicContact CD1-CD2 4.16Å; L273-L295 HydrophobicContact CD1-CD2 4.45Å; W291-L295 WeakPolarHBondContact O-CB 3.38Å; W291-L295 PolarHBondContact O-N 3Å; L292-L295 HydrophobicContact CD1-CD2 4.34Å; L292-L295 WeakPolarHBondContact O-CB 3.38Å; L292-L295 PolarHBondContact O-N 2.88Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.04Å; L295-N298 PolarHBondContact O-N 2.94Å; L295-L299 HydrophobicContact CD1-CD1 3.95Å; L295-L299 HydrophobicContact CD1-CG 4.34Å; L295-L299 HydrophobicContact CG-CD1 4.36Å; L295-L299 WeakPolarHBondContact O-CG 3.49Å; L295-L299 PolarHBondContact O-N 3.01Å; L295-L299 VanDerWaalsContact O-N 3.12Å |
| 296 | L | 96 | Very high | 86.2 | Confident | 50 Ų | 50 | 77 Ų | 77 | 26% | 0.262 | 40% | 0.404 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 179.8 | -64.4 | 176.4 | 0 | 0 | 0 | 111.6 | L269 K274 L292 K293 Q294 L299 N300 | L269-L296 HydrophobicContact CD2-CD2 3.96Å; K274-L296 HydrophobicContact CG-CD2 4.1Å; L292-L296 WeakPolarHBondContact O-CG 3.37Å; L292-L296 PolarHBondContact O-N 3Å; K293-L296 PolarHBondContact O-N 3.47Å; Q294-L296 PolarHBondContact O-N 2.85Å; L296-L299 PolarHBondContact O-N 3.45Å; L296-N300 VanDerWaalsContact O-CG 3.22Å; L296-N300 PolarHBondContact O-N 3.45Å; L296-N300 VanDerWaalsContact O-N 3.1Å; L296-N300 PolarHBondContact O-ND2 3.31Å |
| 297 | R | 94.9 | Very high | 85.8 | Confident | 158 Ų | 158 | 71.8 Ų | 71.8 | 60% | 0.596 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -63.1 | -45 | 175.2 | -172.4 | -179 | 70 | 177.6 | 1.5 | 111.9 | K293 Q294 L295 L299 N300 T301 | K293-R297 WeakPolarHBondContact O-CB 3.44Å; K293-R297 PolarHBondContact O-N 3.46Å; Q294-R297 PolarHBondContact O-N 3.3Å; L295-R297 VanDerWaalsContact C-N 3.31Å; L295-R297 PolarHBondContact O-N 3.04Å; R297-L299 PolarHBondContact O-N 3.47Å; R297-N300 PolarHBondContact O-N 3.02Å; R297-T301 WeakPolarHBondContact O-CG2 3.43Å; R297-T301 PolarHBondContact O-N 3.28Å; R297-T301 PolarHBondContact O-OG1 2.91Å |
| 298 | N | 94 | Very high | 85.2 | Confident | 26 Ų | 26 | 73.1 Ų | 73.1 | 14% | 0.139 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -60.8 | -34.6 | 179.4 | -73.2 | 1.4 | 0 | 0 | 0 | 111.6 | T256 K262 Q294 L295 T301 | T256-N298 HydrophobicContact CG2-CB 4.3Å; T256-N298 PolarHBondContact OG1-ND2 2.81Å; K262-N298 WeakPolarHBondContact CE-O 3.49Å; Q294-N298 WeakPolarHBondContact O-CB 3.4Å; Q294-N298 PolarHBondContact O-N 3.09Å; Q294-N298 PolarHBondContact O-OD1 3.22Å; L295-N298 PolarHBondContact O-N 2.94Å; N298-T301 PolarHBondContact O-OG1 2.69Å |
| 299 | L | 93.5 | Very high | 84.6 | Confident | 13 Ų | 13 | 77.6 Ų | 77.6 | 7% | 0.068 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -77.9 | -30.1 | 178.5 | -64 | 174.5 | 0 | 0 | 0 | 112.6 | T256 K262 L265 R266 L269 L295 L296 R297 | T256-L299 HydrophobicContact CG2-CD2 3.81Å; T256-L299 HydrophobicContact CG2-CG 4.2Å; K262-L299 HydrophobicContact CG-CD2 4.2Å; K262-L299 WeakPolarHBondContact O-CD2 3.43Å; L265-L299 HydrophobicContact CB-CD2 3.8Å; R266-L299 WeakPolarHBondContact CD-O 3.48Å; R266-L299 HydrophobicContact CG-CB 4.2Å; R266-L299 HydrophobicContact CG-CD2 3.96Å; R266-L299 PolarHBondContact NE-O 3Å; L269-L299 HydrophobicContact CB-CD1 4.37Å; L269-L299 HydrophobicContact CD1-CD1 4.37Å; L269-L299 HydrophobicContact CD2-CD1 3.72Å; L269-L299 HydrophobicContact CG-CD1 4.38Å; L295-L299 HydrophobicContact CD1-CD1 3.95Å; L295-L299 HydrophobicContact CD1-CG 4.34Å; L295-L299 HydrophobicContact CG-CD1 4.36Å; L295-L299 WeakPolarHBondContact O-CG 3.49Å; L295-L299 PolarHBondContact O-N 3.01Å; L295-L299 VanDerWaalsContact O-N 3.12Å; L296-L299 PolarHBondContact O-N 3.45Å; R297-L299 PolarHBondContact O-N 3.47Å |
| 300 | N | 88.2 | Confident | 83.9 | Confident | 114 Ų | 114 | 78.7 Ų | 78.7 | 61% | 0.61 | 42% | 0.419 | S | S | * | . | H | α-helix | trans | -79.1 | -24.4 | 177.4 | -67.1 | -18.5 | 0 | 0 | 0 | 113.7 | L296 R297 G302 S303 | L296-N300 VanDerWaalsContact O-CG 3.22Å; L296-N300 PolarHBondContact O-N 3.45Å; L296-N300 VanDerWaalsContact O-N 3.1Å; L296-N300 PolarHBondContact O-ND2 3.31Å; R297-N300 PolarHBondContact O-N 3.02Å; N300-G302 PolarHBondContact O-N 3.16Å; N300-S303 PolarHBondContact O-OG 3.31Å |
| 301 | T | 71.2 | Confident | 83 | Confident | 79 Ų | 79 | 76.4 Ų | 76.4 | 49% | 0.485 | 41% | 0.413 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.5 | 97.5 | 174.7 | 53.3 | 0 | 0 | 0 | 0 | 109.7 | R266 R297 N298 | R266-T301 PolarHBondContact NH2-O 2.88Å; R297-T301 WeakPolarHBondContact O-CG2 3.43Å; R297-T301 PolarHBondContact O-N 3.28Å; R297-T301 PolarHBondContact O-OG1 2.91Å; N298-T301 PolarHBondContact O-OG1 2.69Å |
| 302 | G | 58.5 | Low | 82 | Confident | 48 Ų | 48 | 76.6 Ų | 76.6 | 50% | 0.495 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 132.3 | 2.3 | 178.6 | 0 | 0 | 0 | 0 | 0 | 115.5 | N300 T304 | N300-G302 PolarHBondContact O-N 3.16Å; G302-T304 VanDerWaalsContact C-N 3.27Å; G302-T304 PolarHBondContact O-N 3.5Å |
| 303 | S | 48.9 | Very low | 80.7 | Confident | 92 Ų | 92 | 80.8 Ų | 80.8 | 64% | 0.643 | 45% | 0.447 | S | S | * | . | trans | -84 | 72 | 165.9 | 58.6 | 0 | 0 | 0 | 0 | 110.3 | N300 | N300-S303 PolarHBondContact O-OG 3.31Š| ||
| 304 | T | 35.6 | Very low | 79.4 | Confident | 199 Ų | 199 | 75 Ų | 75 | 100% | 1.221 | 43% | 0.43 | S | S | * | . | trans | -138.9 | 0 | 162.7 | 46.1 | 0 | 0 | 0 | 0 | 107.2 | G302 | G302-T304 VanDerWaalsContact C-N 3.27Å; G302-T304 PolarHBondContact O-N 3.5Å |
Retrieved 304 of 304 residues in 318.8 ms
(Link to these results)