| 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 | 46.7 | Very low | 47 | Very low | 241 Ų | 241 | 122.7 Ų | 122.7 | 100% | 1.187 | 69% | 0.689 | S | S | * | * | 0 | 64 | 0 | -76.8 | 169.1 | 55.3 | 0 | 0 | 110.5 | |||||
| 2 | L | 46.3 | Very low | 46.9 | Very low | 175 Ų | 175 | 121.9 Ų | 121.9 | 92% | 0.916 | 68% | 0.681 | S | S | * | * | trans | -142.2 | 21.9 | -170.7 | -113.8 | 148.8 | 0 | 0 | 0 | 113.4 | ||||
| 3 | A | 46.6 | Very low | 46.7 | Very low | 78 Ų | 78 | 121.6 Ų | 121.6 | 65% | 0.645 | 68% | 0.676 | S | S | * | * | S | Bend | trans | -134.8 | 17.9 | -170.9 | 0 | 0 | 0 | 0 | 0 | 115.4 | ||
| 4 | V | 48.8 | Very low | 46.5 | Very low | 109 Ų | 109 | 121.6 Ų | 121.6 | 66% | 0.661 | 67% | 0.673 | S | S | * | * | S | Bend | trans | -109.3 | -23.3 | -176.1 | -167 | 0 | 0 | 0 | 0 | 113.2 | ||
| 5 | L | 44.4 | Very low | 46.2 | Very low | 156 Ų | 156 | 117.8 Ų | 117.8 | 82% | 0.817 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -71.7 | -38.8 | 177.8 | -101.4 | 88.1 | 0 | 0 | 0 | 115.8 | A7 | L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.36Å |
| 6 | P | 48.4 | Very low | 46 | Very low | 81 Ų | 81 | 114.3 Ų | 114.3 | 53% | 0.526 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -77.7 | -20.7 | -176.7 | 27.8 | -29.3 | 0 | 0 | 0 | 112.9 | L10 | P6-L10 PolarHBondContact O-N 3.27Å |
| 7 | A | 48.4 | Very low | 45.8 | Very low | 52 Ų | 52 | 120.1 Ų | 120.1 | 43% | 0.43 | 65% | 0.653 | S | S | . | * | H | α-helix | trans | -72.3 | -36.8 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.3 | L5 L9 L10 L11 | L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.36Å; A7-L9 VanDerWaalsContact C-N 3.34Å; A7-L10 PolarHBondContact O-N 3.05Å; A7-L11 WeakPolarHBondContact O-CD1 3.48Å; A7-L11 PolarHBondContact O-N 3.36Å; A7-L11 VanDerWaalsContact O-N 3.07Å |
| 8 | L | 47.7 | Very low | 45.7 | Very low | 113 Ų | 113 | 118.4 Ų | 118.4 | 59% | 0.592 | 65% | 0.65 | S | S | * | * | H | α-helix | trans | -68 | -34.1 | 176.5 | -120.1 | 92.7 | 0 | 0 | 0 | 112.2 | L11 L12 | L8-L11 PolarHBondContact O-N 3.31Å; L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.39Å; L8-L12 VanDerWaalsContact O-N 3.09Å |
| 9 | L | 46.6 | Very low | 45.4 | Very low | 117 Ų | 117 | 114.5 Ų | 114.5 | 61% | 0.613 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -71.5 | -36.3 | 177.5 | -140 | 86.3 | 0 | 0 | 0 | 112 | A7 L12 L13 | A7-L9 VanDerWaalsContact C-N 3.34Å; L9-L12 PolarHBondContact O-N 3.06Å; L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-L13 VanDerWaalsContact O-N 3.14Å |
| 10 | L | 47.3 | Very low | 45.3 | Very low | 111 Ų | 111 | 112.9 Ų | 112.9 | 58% | 0.581 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -67.2 | -38.8 | 172.1 | -107.5 | 91 | 0 | 0 | 0 | 112.3 | P6 A7 L12 L13 L14 | P6-L10 PolarHBondContact O-N 3.27Å; A7-L10 PolarHBondContact O-N 3.05Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.21Å; L10-L13 PolarHBondContact O-N 2.93Å; L10-L14 WeakPolarHBondContact O-CD1 3.5Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 2.76Å |
| 11 | L | 46.4 | Very low | 45.5 | Very low | 117 Ų | 117 | 109.2 Ų | 109.2 | 61% | 0.613 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -66.2 | -32.8 | 176.2 | -92.4 | 147 | 0 | 0 | 0 | 112.8 | A7 L8 S15 | A7-L11 WeakPolarHBondContact O-CD1 3.48Å; A7-L11 PolarHBondContact O-N 3.36Å; A7-L11 VanDerWaalsContact O-N 3.07Å; L8-L11 PolarHBondContact O-N 3.31Å; L11-S15 PolarHBondContact O-N 3.38Å; L11-S15 PolarHBondContact O-OG 3.29Å |
| 12 | L | 45.5 | Very low | 45.8 | Very low | 113 Ų | 113 | 101.8 Ų | 101.8 | 59% | 0.592 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -73.8 | -30 | 173 | -78.7 | 159.6 | 0 | 0 | 0 | 113 | L8 L9 L10 S15 | L8-L12 WeakPolarHBondContact O-CG 3.45Å; L8-L12 PolarHBondContact O-N 3.39Å; L8-L12 VanDerWaalsContact O-N 3.09Å; L9-L12 PolarHBondContact O-N 3.06Å; L10-L12 VanDerWaalsContact C-N 3.34Å; L10-L12 PolarHBondContact O-N 3.21Å; L12-S15 PolarHBondContact O-OG 3.44Å |
| 13 | L | 44.3 | Very low | 46 | Very low | 118 Ų | 118 | 100.5 Ų | 100.5 | 62% | 0.618 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -75.6 | -30.4 | 173.6 | -72.3 | 163.5 | 0 | 0 | 0 | 112.1 | L9 L10 S16 | L9-L13 WeakPolarHBondContact O-CG 3.4Å; L9-L13 PolarHBondContact O-N 3.35Å; L9-L13 VanDerWaalsContact O-N 3.14Å; L10-L13 PolarHBondContact O-N 2.93Å; L13-S16 PolarHBondContact O-OG 2.84Å |
| 14 | L | 44 | Very low | 46.3 | Very low | 121 Ų | 121 | 101.9 Ų | 101.9 | 63% | 0.634 | 57% | 0.566 | S | S | * | * | H | α-helix | trans | -77.4 | -20.6 | 176.8 | -75.5 | 155.7 | 0 | 0 | 0 | 113.8 | L10 | L10-L14 WeakPolarHBondContact O-CD1 3.5Å; L10-L14 WeakPolarHBondContact O-CG 3.49Å; L10-L14 PolarHBondContact O-N 2.76Å |
| 15 | S | 41.3 | Very low | 46.5 | Very low | 65 Ų | 65 | 104.6 Ų | 104.6 | 46% | 0.455 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | -92.4 | 1.7 | 178.6 | 63.1 | 0 | 0 | 0 | 0 | 114.6 | L11 L12 P18 | L11-S15 PolarHBondContact O-N 3.38Å; L11-S15 PolarHBondContact O-OG 3.29Å; L12-S15 PolarHBondContact O-OG 3.44Å; S15-P18 VanDerWaalsContact O-CD 3.3Å; S15-P18 WeakPolarHBondContact O-CD 3.36Å; S15-P18 WeakPolarHBondContact O-CG 3.33Å |
| 16 | S | 42.7 | Very low | 46.8 | Very low | 61 Ų | 61 | 101.1 Ų | 101.1 | 43% | 0.427 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -79.4 | -14.4 | -177.9 | 62.8 | 0 | 0 | 0 | 0 | 114.7 | L13 C20 | L13-S16 PolarHBondContact O-OG 2.84Å; S16-C20 PolarHBondContact O-N 3.23Å |
| 17 | R | 43.1 | Very low | 46.9 | Very low | 213 Ų | 213 | 104.3 Ų | 104.3 | 80% | 0.804 | 55% | 0.554 | S | S | * | * | H | α-helix | trans | -66.4 | -45.6 | -179.8 | -65.6 | -173.6 | 178.5 | -171.3 | -0.4 | 114.6 | ||
| 18 | P | 44.4 | Very low | 47.2 | Very low | 90 Ų | 90 | 103.9 Ų | 103.9 | 58% | 0.584 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -71.6 | -29.5 | 176.5 | 26.5 | -34.4 | 0 | 0 | 0 | 112.9 | S15 G21 V22 | S15-P18 VanDerWaalsContact O-CD 3.3Å; S15-P18 WeakPolarHBondContact O-CD 3.36Å; S15-P18 WeakPolarHBondContact O-CG 3.33Å; P18-G21 PolarHBondContact O-N 2.87Å; P18-V22 WeakPolarHBondContact O-CG2 3.47Å; P18-V22 PolarHBondContact O-N 3.2Å |
| 19 | A | 39.8 | Very low | 47.2 | Very low | 45 Ų | 45 | 102.3 Ų | 102.3 | 37% | 0.372 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -66.3 | -42.2 | 178.8 | 0 | 0 | 0 | 0 | 0 | 111.6 | G21 V22 F23 | A19-G21 VanDerWaalsContact C-N 3.33Å; A19-G21 PolarHBondContact O-N 3.46Å; A19-V22 PolarHBondContact O-N 3.46Å; A19-F23 VanDerWaalsContact O-CD2 3.29Å; A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.34Å |
| 20 | C | 42.6 | Very low | 47.1 | Very low | 82 Ų | 82 | 104.9 Ų | 104.9 | 55% | 0.554 | 55% | 0.552 | S | S | * | * | H | α-helix | trans | -61.5 | -39.2 | 177.9 | -160.5 | 0 | 0 | 0 | 0 | 112.4 | S16 Q24 | S16-C20 PolarHBondContact O-N 3.23Å; C20-Q24 VanDerWaalsContact O-CB 3.29Å; C20-Q24 WeakPolarHBondContact O-CB 3.37Å; C20-Q24 PolarHBondContact O-N 3.14Å |
| 21 | G | 49.3 | Very low | 46.9 | Very low | 35 Ų | 35 | 101 Ų | 101 | 36% | 0.361 | 54% | 0.535 | S | S | . | . | H | α-helix | trans | -69.1 | -32 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.9 | P18 A19 K25 | P18-G21 PolarHBondContact O-N 2.87Å; A19-G21 VanDerWaalsContact C-N 3.33Å; A19-G21 PolarHBondContact O-N 3.46Å; G21-K25 WeakPolarHBondContact O-CB 3.33Å; G21-K25 WeakPolarHBondContact O-CG 3.36Å; G21-K25 PolarHBondContact O-N 3.45Å; G21-K25 VanDerWaalsContact O-N 3.1Å |
| 22 | V | 53.5 | Low | 46.9 | Very low | 85 Ų | 85 | 103 Ų | 103 | 52% | 0.515 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -73.5 | -43.3 | 175.1 | 173.5 | 0 | 0 | 0 | 0 | 110.9 | P18 A19 K25 L26 | P18-V22 WeakPolarHBondContact O-CG2 3.47Å; P18-V22 PolarHBondContact O-N 3.2Å; A19-V22 PolarHBondContact O-N 3.46Å; V22-K25 PolarHBondContact O-N 3.26Å; V22-L26 HydrophobicContact CG1-CD1 3.83Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 PolarHBondContact O-N 2.95Å |
| 23 | F | 51.3 | Low | 47.2 | Very low | 149 Ų | 149 | 101.2 Ų | 101.2 | 65% | 0.654 | 54% | 0.543 | S | S | * | . | H | α-helix | trans | -67.1 | -36.3 | 175.6 | -85.1 | -76.2 | 0 | 0 | 0 | 112.8 | A19 L26 Y27 | A19-F23 VanDerWaalsContact O-CD2 3.29Å; A19-F23 WeakPolarHBondContact O-CD2 3.49Å; A19-F23 PolarHBondContact O-N 3.34Å; F23-L26 PolarHBondContact O-N 3.26Å; F23-Y27 WeakPolarHBondContact O-CB 3.32Å; F23-Y27 PolarHBondContact O-N 3.17Å |
| 24 | Q | 52.1 | Low | 47.7 | Very low | 106 Ų | 106 | 97 Ų | 97 | 50% | 0.495 | 52% | 0.522 | S | S | . | . | H | α-helix | trans | -66.7 | -43.8 | 174 | -168.8 | 160.9 | -3.6 | 0 | 0 | 111.2 | C20 L26 Y27 C28 | C20-Q24 VanDerWaalsContact O-CB 3.29Å; C20-Q24 WeakPolarHBondContact O-CB 3.37Å; C20-Q24 PolarHBondContact O-N 3.14Å; Q24-L26 PolarHBondContact O-N 2.9Å; Q24-Y27 PolarHBondContact O-N 3.02Å; Q24-C28 WeakPolarHBondContact O-CB 3.43Å; Q24-C28 PolarHBondContact O-N 3.04Å; Q24-C28 PolarHBondContact O-SG 3.46Å |
| 25 | K | 53 | Low | 48.6 | Very low | 166 Ų | 166 | 94.8 Ų | 94.8 | 72% | 0.722 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -60.6 | -41.1 | 172.7 | -79.6 | -179.1 | 177.2 | -175.9 | 0 | 113.2 | G21 V22 S29 | G21-K25 WeakPolarHBondContact O-CB 3.33Å; G21-K25 WeakPolarHBondContact O-CG 3.36Å; G21-K25 PolarHBondContact O-N 3.45Å; G21-K25 VanDerWaalsContact O-N 3.1Å; V22-K25 PolarHBondContact O-N 3.26Å; K25-S29 PolarHBondContact O-N 2.6Å; K25-S29 VanDerWaalsContact O-N 3.08Å |
| 26 | L | 51.1 | Low | 50.2 | Low | 84 Ų | 84 | 92.2 Ų | 92.2 | 44% | 0.44 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -66.5 | -46.5 | 175 | -85.1 | 153.5 | 0 | 0 | 0 | 111.2 | V22 F23 Q24 C28 S29 F30 | V22-L26 HydrophobicContact CG1-CD1 3.83Å; V22-L26 WeakPolarHBondContact O-CB 3.47Å; V22-L26 PolarHBondContact O-N 2.95Å; F23-L26 PolarHBondContact O-N 3.26Å; Q24-L26 PolarHBondContact O-N 2.9Å; L26-C28 VanDerWaalsContact C-N 3.3Å; L26-C28 PolarHBondContact O-N 3.35Å; L26-S29 WeakPolarHBondContact O-CA 3.44Å; L26-S29 WeakPolarHBondContact O-CB 3.25Å; L26-S29 PolarHBondContact O-N 2.87Å; L26-F30 HydrophobicContact CD2-CE2 3.99Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; L26-F30 PolarHBondContact O-N 3.45Å |
| 27 | Y | 51.7 | Low | 52.1 | Low | 147 Ų | 147 | 91.4 Ų | 91.4 | 58% | 0.576 | 48% | 0.484 | S | S | * | . | H | α-helix | trans | -60.2 | -40.1 | 176.1 | -172.5 | -100.1 | 0 | 0 | 0 | 111.6 | F23 Q24 S29 F30 S31 | F23-Y27 WeakPolarHBondContact O-CB 3.32Å; F23-Y27 PolarHBondContact O-N 3.17Å; Q24-Y27 PolarHBondContact O-N 3.02Å; Y27-S29 VanDerWaalsContact C-N 3.29Å; Y27-S29 PolarHBondContact O-N 2.99Å; Y27-F30 PolarHBondContact O-N 3.4Å; Y27-S31 WeakPolarHBondContact O-CB 3.47Å; Y27-S31 PolarHBondContact O-N 3.03Å |
| 28 | C | 52.7 | Low | 54.2 | Low | 44 Ų | 44 | 82.1 Ų | 82.1 | 30% | 0.297 | 45% | 0.45 | S | S | . | . | H | α-helix | trans | -62.3 | -33.9 | 172.2 | -62 | 0 | 0 | 0 | 0 | 113.3 | Q24 L26 F30 C34 | Q24-C28 WeakPolarHBondContact O-CB 3.43Å; Q24-C28 PolarHBondContact O-N 3.04Å; Q24-C28 PolarHBondContact O-SG 3.46Å; L26-C28 VanDerWaalsContact C-N 3.3Å; L26-C28 PolarHBondContact O-N 3.35Å; C28-F30 VanDerWaalsContact C-N 3.26Å; C28-F30 PolarHBondContact O-N 3.45Å; C28-C34 WeakPolarHBondContact CA-SG 3.36Å; C28-C34 HydrophobicContact CB-CB 3.28Å; C28-C34 WeakPolarHBondContact CB-SG 2.98Å; C28-C34 WeakPolarHBondContact SG-CB 3.43Å; C28-C34 CovalentContact SG-SG 1.99Å; C28-C34 PolarHBondContact SG-SG 3.48Å |
| 29 | S | 48.7 | Very low | 56.3 | Low | 79 Ų | 79 | 84.2 Ų | 84.2 | 55% | 0.552 | 45% | 0.45 | S | S | * | . | H | α-helix | trans | -72.8 | -19.8 | 178 | -175.7 | 0 | 0 | 0 | 0 | 113.1 | K25 L26 Y27 | K25-S29 PolarHBondContact O-N 2.6Å; K25-S29 VanDerWaalsContact O-N 3.08Å; L26-S29 WeakPolarHBondContact O-CA 3.44Å; L26-S29 WeakPolarHBondContact O-CB 3.25Å; L26-S29 PolarHBondContact O-N 2.87Å; Y27-S29 VanDerWaalsContact C-N 3.29Å; Y27-S29 PolarHBondContact O-N 2.99Å |
| 30 | F | 43.9 | Very low | 58.8 | Low | 171 Ų | 171 | 84.7 Ų | 84.7 | 75% | 0.75 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -112 | -7.4 | -176.9 | -69 | -69.5 | 0 | 0 | 0 | 113.9 | L26 Y27 C28 | L26-F30 HydrophobicContact CD2-CE2 3.99Å; L26-F30 WeakPolarHBondContact O-CD2 3.38Å; L26-F30 PolarHBondContact O-N 3.45Å; Y27-F30 PolarHBondContact O-N 3.4Å; C28-F30 VanDerWaalsContact C-N 3.26Å; C28-F30 PolarHBondContact O-N 3.45Å |
| 31 | S | 43.3 | Very low | 61.2 | Low | 31 Ų | 31 | 82.4 Ų | 82.4 | 22% | 0.217 | 43% | 0.434 | C | S | . | . | trans | -126.7 | 132.6 | -176.1 | 174.5 | 0 | 0 | 0 | 0 | 111.5 | Y27 S33 | Y27-S31 WeakPolarHBondContact O-CB 3.47Å; Y27-S31 PolarHBondContact O-N 3.03Å; S31-S33 PolarHBondContact O-N 3.5Å; S31-S33 WeakPolarHBondContact OG-CB 3.29Å; S31-S33 PolarHBondContact OG-N 3.43Å | ||
| 32 | D | 46.8 | Very low | 63.3 | Low | 159 Ų | 159 | 83 Ų | 83 | 85% | 0.85 | 43% | 0.428 | S | S | * | . | S | Bend | trans | -65.1 | 1.2 | 172.8 | -72.2 | -30.9 | 0 | 0 | 0 | 114 | ||
| 33 | S | 51.9 | Low | 65.3 | Low | 75 Ų | 75 | 87.8 Ų | 87.8 | 52% | 0.524 | 44% | 0.437 | S | S | . | . | trans | -124.9 | 44.4 | -166.3 | 169.7 | 0 | 0 | 0 | 0 | 112.1 | S31 | S31-S33 PolarHBondContact O-N 3.5Å; S31-S33 WeakPolarHBondContact OG-CB 3.29Å; S31-S33 PolarHBondContact OG-N 3.43Å | ||
| 34 | C | 53.8 | Low | 67.4 | Low | 28 Ų | 28 | 83.7 Ų | 83.7 | 19% | 0.189 | 42% | 0.422 | C | S | . | . | trans | -98.6 | 83.1 | 167.8 | -119.5 | 0 | 0 | 0 | 0 | 111.7 | C28 C36 | C28-C34 WeakPolarHBondContact CA-SG 3.36Å; C28-C34 HydrophobicContact CB-CB 3.28Å; C28-C34 WeakPolarHBondContact CB-SG 2.98Å; C28-C34 WeakPolarHBondContact SG-CB 3.43Å; C28-C34 CovalentContact SG-SG 1.99Å; C28-C34 PolarHBondContact SG-SG 3.48Å; C34-C36 VanDerWaalsContact C-N 3.27Å; C34-C36 PolarHBondContact O-N 3.44Å; C34-C36 VanDerWaalsContact O-N 3.13Å; C34-C36 PolarHBondContact O-SG 2.91Å | ||
| 35 | D | 63 | Low | 69.6 | Low | 75 Ų | 75 | 78.9 Ų | 78.9 | 40% | 0.401 | 40% | 0.399 | S | S | . | . | trans | -88.4 | 65.9 | 178.3 | -79.9 | -25.5 | 0 | 0 | 0 | 109.8 | D37 F38 | D35-D37 VanDerWaalsContact C-N 3.32Å; D35-D37 CarbonylContact O-C 3.51Å; D35-D37 WeakPolarHBondContact O-CA 3.27Å; D35-D37 PolarHBondContact O-N 2.93Å; D35-F38 HydrophobicContact CB-CB 3.99Å; D35-F38 HydrophobicContact CB-CD1 4.28Å; D35-F38 PolarHBondContact O-N 2.04Å | ||
| 36 | C | 75.6 | Confident | 71.7 | Confident | 11 Ų | 11 | 75.9 Ų | 75.9 | 7% | 0.074 | 39% | 0.388 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -14.4 | 65.1 | 172.6 | -15.1 | 0 | 0 | 0 | 0 | 118.2 | C34 F38 F112 C146 | C34-C36 VanDerWaalsContact C-N 3.27Å; C34-C36 PolarHBondContact O-N 3.44Å; C34-C36 VanDerWaalsContact O-N 3.13Å; C34-C36 PolarHBondContact O-SG 2.91Å; C36-F38 PolarHBondContact O-N 3.48Å; C36-F38 VanDerWaalsContact O-N 3.12Å; C36-F112 HydrophobicContact CB-CD1 4.11Å; C36-F112 HydrophobicContact CB-CD2 3.58Å; C36-F112 HydrophobicContact CB-CE1 3.82Å; C36-F112 HydrophobicContact CB-CE2 3.24Å; C36-F112 HydrophobicContact CB-CG 4Å; C36-F112 HydrophobicContact CB-CZ 3.38Å; C36-F112 WeakPolarHBondContact O-CD2 3.48Å; C36-F112 WeakPolarHBondContact O-CE2 3.46Å; C36-C146 HydrophobicContact CB-CB 3.75Å; C36-C146 WeakPolarHBondContact CB-SG 3.02Å; C36-C146 WeakPolarHBondContact SG-CA 3.36Å; C36-C146 WeakPolarHBondContact SG-CB 3.39Å; C36-C146 CovalentContact SG-SG 2.02Å; C36-C146 PolarHBondContact SG-SG 3.32Å |
| 37 | D | 82.7 | Confident | 73.9 | Confident | 44 Ų | 44 | 79.2 Ų | 79.2 | 24% | 0.235 | 40% | 0.395 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 55.9 | 15.4 | -167.2 | -165.3 | 41.6 | 0 | 0 | 0 | 115 | D35 K39 G105 S106 | D35-D37 VanDerWaalsContact C-N 3.32Å; D35-D37 CarbonylContact O-C 3.51Å; D35-D37 WeakPolarHBondContact O-CA 3.27Å; D35-D37 PolarHBondContact O-N 2.93Å; D37-K39 PolarHBondContact O-N 2.82Å; D37-K39 IonicContact OD1-NZ 2.73Å; D37-K39 PolarHBondContact OD1-NZ 2.94Å; D37-G105 PolarHBondContact O-N 3.45Å; D37-S106 PolarHBondContact OD2-N 3.15Å; D37-S106 VanDerWaalsContact OD2-N 3.16Å; D37-S106 PolarHBondContact OD2-OG 3.19Å |
| 38 | F | 87.6 | Confident | 76 | Confident | 18 Ų | 18 | 74.3 Ų | 74.3 | 8% | 0.079 | 38% | 0.379 | C | S | . | . | B | Isolated β-bridge | trans | -71 | 112.8 | 174.1 | -178.8 | -101.9 | 0 | 0 | 0 | 109.1 | D35 C36 P40 L71 L103 Y104 R148 | D35-F38 HydrophobicContact CB-CB 3.99Å; D35-F38 HydrophobicContact CB-CD1 4.28Å; D35-F38 PolarHBondContact O-N 2.04Å; C36-F38 PolarHBondContact O-N 3.48Å; C36-F38 VanDerWaalsContact O-N 3.12Å; F38-P40 HydrophobicContact CD1-CG 4.25Å; F38-P40 HydrophobicContact CE1-CB 4.23Å; F38-P40 HydrophobicContact CE1-CG 3.54Å; F38-P40 HydrophobicContact CZ-CB 3.92Å; F38-P40 HydrophobicContact CZ-CG 3.76Å; F38-L71 HydrophobicContact CE1-CD2 4.31Å; F38-L71 HydrophobicContact CZ-CD1 4.45Å; F38-L71 HydrophobicContact CZ-CD2 3.56Å; F38-L103 HydrophobicContact CD2-CB 4.46Å; F38-L103 WeakPolarHBondContact CD2-O 3.07Å; F38-L103 HydrophobicContact CE2-CB 4.03Å; F38-L103 HydrophobicContact CE2-CD2 3.94Å; F38-L103 HydrophobicContact CE2-CG 4.4Å; F38-L103 HydrophobicContact CZ-CD2 4.21Å; F38-Y104 HydrophobicContact CB-CD1 4.36Å; F38-Y104 HydrophobicContact CB-CE1 3.99Å; F38-Y104 HydrophobicContact CD2-CD1 4.48Å; F38-Y104 AromaticContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE2 4.27Å; F38-Y104 AromaticContact CD2-CZ 3.86Å; F38-R148 HydrophobicContact CB-CB 4.45Å; F38-R148 HydrophobicContact CD1-CB 4.48Å; F38-R148 HydrophobicContact CD1-CG 4.09Å; F38-R148 HydrophobicContact CD2-CB 3.97Å; F38-R148 HydrophobicContact CD2-CG 4.41Å; F38-R148 HydrophobicContact CE1-CG 4.3Å; F38-R148 HydrophobicContact CE2-CB 4.36Å; F38-R148 HydrophobicContact CG-CB 4.04Å; F38-R148 HydrophobicContact CG-CG 4.17Å |
| 39 | K | 88.3 | Confident | 78.2 | Confident | 135 Ų | 135 | 72.3 Ų | 72.3 | 59% | 0.587 | 37% | 0.365 | S | S | * | . | trans | -139.9 | 72.4 | -174 | -71.5 | 176.2 | -177.7 | 140.2 | 0 | 108.5 | D37 S41 L103 | D37-K39 PolarHBondContact O-N 2.82Å; D37-K39 IonicContact OD1-NZ 2.73Å; D37-K39 PolarHBondContact OD1-NZ 2.94Å; K39-S41 PolarHBondContact O-N 3.42Å; K39-L103 CarbonylContact C-O 3.54Å; K39-L103 PolarHBondContact N-O 3.11Å | ||
| 40 | P | 91.4 | Very high | 80.5 | Confident | 54 Ų | 54 | 76 Ų | 76 | 35% | 0.351 | 37% | 0.368 | S | S | . | . | trans | -68.5 | 130.2 | -173.4 | 28.8 | -35.7 | 0 | 0 | 0 | 111.3 | F38 L71 H102 L103 | F38-P40 HydrophobicContact CD1-CG 4.25Å; F38-P40 HydrophobicContact CE1-CB 4.23Å; F38-P40 HydrophobicContact CE1-CG 3.54Å; F38-P40 HydrophobicContact CZ-CB 3.92Å; F38-P40 HydrophobicContact CZ-CG 3.76Å; P40-L71 HydrophobicContact CB-CD1 3.59Å; P40-L71 HydrophobicContact CG-CD1 4.27Å; P40-H102 CarbonylContact C-O 3.54Å; P40-H102 VanDerWaalsContact CA-O 3.27Å; P40-H102 WeakPolarHBondContact CA-O 3.25Å; P40-L103 HydrophobicContact CB-CD2 4Å | ||
| 41 | S | 93.8 | Very high | 82.9 | Confident | 34 Ų | 34 | 73.4 Ų | 73.4 | 24% | 0.238 | 36% | 0.356 | C | S | . | . | trans | -110.9 | 92.5 | 165.4 | -168.9 | 0 | 0 | 0 | 0 | 110.1 | K39 R43 D44 L45 H102 | K39-S41 PolarHBondContact O-N 3.42Å; S41-R43 VanDerWaalsContact C-N 3.35Å; S41-D44 WeakPolarHBondContact CB-OD2 3.24Å; S41-D44 VanDerWaalsContact OG-CB 3.29Å; S41-D44 WeakPolarHBondContact OG-CB 3.08Å; S41-D44 PolarHBondContact OG-N 3.02Å; S41-D44 PolarHBondContact OG-OD2 2.95Å; S41-L45 VanDerWaalsContact O-CB 3.31Å; S41-L45 WeakPolarHBondContact O-CB 3.45Å; S41-L45 PolarHBondContact O-N 3.49Å; S41-H102 PolarHBondContact N-O 2.88Å | ||
| 42 | I | 93.6 | Very high | 85.5 | Confident | 47 Ų | 47 | 74.6 Ų | 74.6 | 24% | 0.241 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -63 | -44.3 | -179.5 | -62.2 | 169.2 | 0 | 0 | 0 | 110.4 | L45 E46 L71 | I42-L45 PolarHBondContact O-N 2.87Å; I42-E46 WeakPolarHBondContact O-CB 3.25Å; I42-E46 PolarHBondContact O-N 3.47Å; I42-L71 HydrophobicContact CD1-CB 4.23Å; I42-L71 HydrophobicContact CD1-CD1 4.36Å; I42-L71 HydrophobicContact CG1-CD1 4.06Å |
| 43 | R | 95.5 | Very high | 87.9 | Confident | 187 Ų | 187 | 67 Ų | 67 | 71% | 0.706 | 32% | 0.32 | S | S | * | . | H | α-helix | trans | -65.8 | -42 | -178.2 | -169.1 | -168.3 | 68.9 | 169.9 | 0.5 | 112.1 | S41 E46 W47 | S41-R43 VanDerWaalsContact C-N 3.35Å; R43-E46 PolarHBondContact O-N 3.28Å; R43-W47 WeakPolarHBondContact O-CB 3.25Å; R43-W47 PolarHBondContact O-N 3.37Å |
| 44 | D | 96.1 | Very high | 90.1 | Very high | 63 Ų | 63 | 64.9 Ų | 64.9 | 34% | 0.337 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -74.2 | -32.9 | -179.3 | -54.6 | -28.8 | 0 | 0 | 0 | 110.7 | S41 W47 D48 | S41-D44 WeakPolarHBondContact CB-OD2 3.24Å; S41-D44 VanDerWaalsContact OG-CB 3.29Å; S41-D44 WeakPolarHBondContact OG-CB 3.08Å; S41-D44 PolarHBondContact OG-N 3.02Å; S41-D44 PolarHBondContact OG-OD2 2.95Å; D44-W47 PolarHBondContact O-N 3.39Å; D44-D48 WeakPolarHBondContact O-CB 3.46Å; D44-D48 PolarHBondContact O-N 2.92Å |
| 45 | L | 96.6 | Very high | 92.1 | Very high | 4 Ų | 4 | 64.1 Ų | 64.1 | 2% | 0.021 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -59.1 | -52.1 | 169.3 | 176.5 | 61.2 | 0 | 0 | 0 | 111.6 | S41 I42 W47 D48 L49 V67 L98 L99 H102 | S41-L45 VanDerWaalsContact O-CB 3.31Å; S41-L45 WeakPolarHBondContact O-CB 3.45Å; S41-L45 PolarHBondContact O-N 3.49Å; I42-L45 PolarHBondContact O-N 2.87Å; L45-W47 VanDerWaalsContact C-N 3.32Å; L45-W47 PolarHBondContact O-N 3.39Å; L45-D48 PolarHBondContact O-N 3.47Å; L45-L49 HydrophobicContact CD1-CD1 4.03Å; L45-L49 HydrophobicContact CD1-CG 4.03Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.39Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.94Å; L45-V67 HydrophobicContact CD2-CB 4.46Å; L45-V67 HydrophobicContact CD2-CG1 3.98Å; L45-L98 HydrophobicContact CD1-CB 4.2Å; L45-L99 HydrophobicContact CD2-CD1 3.86Å; L45-H102 HydrophobicContact CB-CB 3.75Å; L45-H102 HydrophobicContact CD1-CB 4.19Å; L45-H102 HydrophobicContact CG-CB 4.45Å |
| 46 | E | 97.1 | Very high | 93.8 | Very high | 104 Ų | 104 | 60.6 Ų | 60.6 | 49% | 0.486 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -56.7 | -47.1 | 178.7 | -178.1 | 179.9 | -170.2 | 0 | 0 | 111.3 | I42 R43 D48 L49 Y50 | I42-E46 WeakPolarHBondContact O-CB 3.25Å; I42-E46 PolarHBondContact O-N 3.47Å; R43-E46 PolarHBondContact O-N 3.28Å; E46-D48 PolarHBondContact O-N 3.42Å; E46-L49 PolarHBondContact O-N 3.27Å; E46-Y50 WeakPolarHBondContact O-CB 3.49Å; E46-Y50 PolarHBondContact O-N 2.88Å |
| 47 | W | 97.5 | Very high | 94.8 | Very high | 153 Ų | 153 | 61.5 Ų | 61.5 | 58% | 0.58 | 28% | 0.282 | S | S | * | . | H | α-helix | trans | -62.5 | -43.9 | 178.2 | -177.1 | -104 | 0 | 0 | 0 | 112.8 | R43 D44 L45 Y50 K51 | R43-W47 WeakPolarHBondContact O-CB 3.25Å; R43-W47 PolarHBondContact O-N 3.37Å; D44-W47 PolarHBondContact O-N 3.39Å; L45-W47 VanDerWaalsContact C-N 3.32Å; L45-W47 PolarHBondContact O-N 3.39Å; W47-Y50 PolarHBondContact O-N 3.39Å; W47-K51 VanDerWaalsContact O-CB 3.25Å; W47-K51 WeakPolarHBondContact O-CB 3.17Å; W47-K51 PolarHBondContact O-N 3.31Å |
| 48 | D | 97.1 | Very high | 95.5 | Very high | 44 Ų | 44 | 59.6 Ų | 59.6 | 24% | 0.235 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -70.8 | -33.7 | 179.5 | -90.4 | -2.2 | 0 | 0 | 0 | 112.7 | D44 L45 E46 N52 L98 H102 | D44-D48 WeakPolarHBondContact O-CB 3.46Å; D44-D48 PolarHBondContact O-N 2.92Å; L45-D48 PolarHBondContact O-N 3.47Å; E46-D48 PolarHBondContact O-N 3.42Å; D48-N52 VanDerWaalsContact O-CB 3.26Å; D48-N52 WeakPolarHBondContact O-CB 3.32Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-N52 PolarHBondContact O-ND2 3.13Å; D48-N52 PolarHBondContact OD1-ND2 3.02Å; D48-L98 HydrophobicContact CB-CD2 4.17Å; D48-H102 IonicContact OD2-CD2 3.77Å; D48-H102 IonicContact OD2-CE1 3.33Å; D48-H102 PolarHBondContact OD2-CE1 3.46Å; D48-H102 IonicContact OD2-NE2 3.11Å; D48-H102 PolarHBondContact OD2-NE2 3.19Å |
| 49 | L | 97.9 | Very high | 96 | Very high | 2 Ų | 2 | 58.7 Ų | 58.7 | 1% | 0.01 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -60.1 | -50.7 | 170.9 | -73.3 | 172 | 0 | 0 | 0 | 110 | L45 E46 K51 V53 Q60 V63 V95 L98 | L45-L49 HydrophobicContact CD1-CD1 4.03Å; L45-L49 HydrophobicContact CD1-CG 4.03Å; L45-L49 HydrophobicContact CG-CD1 3.97Å; L45-L49 HydrophobicContact CG-CG 4.39Å; L45-L49 WeakPolarHBondContact O-CB 3.44Å; L45-L49 VanDerWaalsContact O-CG 3.24Å; L45-L49 WeakPolarHBondContact O-CG 3.26Å; L45-L49 PolarHBondContact O-N 2.94Å; E46-L49 PolarHBondContact O-N 3.27Å; L49-K51 PolarHBondContact O-N 3.48Å; L49-V53 HydrophobicContact CD2-CG2 4.08Å; L49-V53 VanDerWaalsContact O-CB 3.23Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 2.72Å; L49-Q60 HydrophobicContact CB-CG 4.26Å; L49-Q60 PolarHBondContact O-NE2 3.49Å; L49-Q60 VanDerWaalsContact O-NE2 3.13Å; L49-V63 HydrophobicContact CD1-CB 4.37Å; L49-V63 HydrophobicContact CD1-CG1 4.13Å; L49-V95 HydrophobicContact CD2-CB 4.38Å; L49-V95 HydrophobicContact CD2-CG1 3.96Å; L49-V95 HydrophobicContact CD2-CG2 4.01Å; L49-L98 HydrophobicContact CD2-CD1 4.02Å |
| 50 | Y | 96.4 | Very high | 96.5 | Very high | 156 Ų | 156 | 53.5 Ų | 53.5 | 61% | 0.612 | 25% | 0.246 | S | C | * | . | H | α-helix | trans | -60.6 | -45.2 | 179 | 178.8 | -102.1 | 0 | 0 | 0 | 112.6 | E46 W47 | E46-Y50 WeakPolarHBondContact O-CB 3.49Å; E46-Y50 PolarHBondContact O-N 2.88Å; W47-Y50 PolarHBondContact O-N 3.39Å |
| 51 | K | 96 | Very high | 96.7 | Very high | 118 Ų | 118 | 55.8 Ų | 55.8 | 51% | 0.513 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -76.1 | -35.5 | -174 | -172.6 | 178.3 | 178 | -174.8 | 0 | 113.4 | W47 L49 F54 | W47-K51 VanDerWaalsContact O-CB 3.25Å; W47-K51 WeakPolarHBondContact O-CB 3.17Å; W47-K51 PolarHBondContact O-N 3.31Å; L49-K51 PolarHBondContact O-N 3.48Å; K51-F54 WeakPolarHBondContact O-CE1 3.23Å |
| 52 | N | 96.4 | Very high | 96.9 | Very high | 55 Ų | 55 | 54.4 Ų | 54.4 | 29% | 0.294 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -110.3 | -17.1 | -168 | -56.1 | -68.2 | 0 | 0 | 0 | 114.4 | D48 | D48-N52 VanDerWaalsContact O-CB 3.26Å; D48-N52 WeakPolarHBondContact O-CB 3.32Å; D48-N52 PolarHBondContact O-N 2.89Å; D48-N52 PolarHBondContact O-ND2 3.13Å; D48-N52 PolarHBondContact OD1-ND2 3.02Å |
| 53 | V | 97.8 | Very high | 97.1 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 23% | 0.234 | C | C | . | . | S | Bend | trans | -102.4 | 87.3 | -176 | -169.9 | 0 | 0 | 0 | 0 | 110.3 | L49 Q56 Q60 L94 V95 L98 | L49-V53 HydrophobicContact CD2-CG2 4.08Å; L49-V53 VanDerWaalsContact O-CB 3.23Å; L49-V53 WeakPolarHBondContact O-CB 3.48Å; L49-V53 WeakPolarHBondContact O-CG2 3.4Å; L49-V53 PolarHBondContact O-N 2.72Å; V53-Q56 HydrophobicContact CG1-CB 3.8Å; V53-Q56 HydrophobicContact CG1-CG 3.82Å; V53-Q60 HydrophobicContact CB-CG 4.46Å; V53-Q60 PolarHBondContact O-NE2 3.35Å; V53-L94 HydrophobicContact CG2-CD2 4.21Å; V53-V95 HydrophobicContact CG1-CG2 3.89Å; V53-V95 HydrophobicContact CG2-CG2 3.87Å; V53-L98 HydrophobicContact CG2-CD1 3.84Å |
| 54 | F | 97.4 | Very high | 97.2 | Very high | 29 Ų | 29 | 44 Ų | 44 | 13% | 0.127 | 21% | 0.205 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -72.9 | 132.8 | -171.3 | -50.6 | -50.9 | 0 | 0 | 0 | 114 | K51 Q56 L256 H260 R263 A267 | K51-F54 WeakPolarHBondContact O-CE1 3.23Å; F54-Q56 VanDerWaalsContact C-N 3.34Å; F54-Q56 PolarHBondContact O-N 3.02Å; F54-L256 WeakPolarHBondContact O-CD2 3.2Å; F54-H260 HydrophobicContact CB-CB 4.45Å; F54-R263 HydrophobicContact CD1-CB 4.26Å; F54-R263 VanDerWaalsContact CD1-CZ 3.42Å; F54-R263 VanDerWaalsContact CD1-NH2 3.28Å; F54-R263 HydrophobicContact CD2-CB 3.75Å; F54-R263 HydrophobicContact CE1-CB 4.43Å; F54-R263 HydrophobicContact CE2-CB 3.98Å; F54-R263 WeakPolarHBondContact CE2-O 3.29Å; F54-R263 HydrophobicContact CG-CB 3.9Å; F54-R263 HydrophobicContact CZ-CB 4.31Å; F54-A267 HydrophobicContact CE2-CB 3.93Å; F54-A267 HydrophobicContact CZ-CB 4Å |
| 55 | G | 96.6 | Very high | 97.3 | Very high | 12 Ų | 12 | 47 Ų | 47 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73 | 21.8 | 170.4 | 0 | 0 | 0 | 0 | 0 | 115.2 | R212 H260 | G55-R212 PolarHBondContact O-NE 2.88Å; G55-R212 PolarHBondContact O-NH2 2.92Å; G55-H260 WeakPolarHBondContact CA-CE1 3.28Å; G55-H260 WeakPolarHBondContact CA-NE2 3.24Å |
| 56 | Q | 97.9 | Very high | 97.4 | Very high | 1 Ų | 1 | 48.4 Ų | 48.4 | 1% | 0.005 | 22% | 0.224 | C | C | . | . | trans | -125.1 | 50.7 | -177.5 | -55.6 | -59.5 | -24.6 | 0 | 0 | 111.9 | V53 F54 L58 A59 Q60 T90 F253 L254 L256 | V53-Q56 HydrophobicContact CG1-CB 3.8Å; V53-Q56 HydrophobicContact CG1-CG 3.82Å; F54-Q56 VanDerWaalsContact C-N 3.34Å; F54-Q56 PolarHBondContact O-N 3.02Å; Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.06Å; Q56-A59 HydrophobicContact CB-CB 4.02Å; Q56-A59 PolarHBondContact O-N 2.72Å; Q56-Q60 VanDerWaalsContact O-CG 3.28Å; Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 3.01Å; Q56-T90 PolarHBondContact NE2-O 3.25Å; Q56-F253 HydrophobicContact CG-CD1 4.16Å; Q56-F253 VanDerWaalsContact OE1-CA 3.28Å; Q56-L254 PolarHBondContact NE2-O 3.33Å; Q56-L256 VanDerWaalsContact NE2-CD2 3.3Å | ||
| 57 | H | 97.4 | Very high | 97.4 | Very high | 30 Ų | 30 | 43.5 Ų | 43.5 | 14% | 0.139 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -52.4 | -44.9 | -179.4 | 64.1 | -61.9 | 0 | 0 | 0 | 112.1 | A59 Q60 D61 R212 D213 I215 | H57-A59 VanDerWaalsContact C-N 3.35Å; H57-A59 PolarHBondContact O-N 3.48Å; H57-Q60 PolarHBondContact O-N 3.03Å; H57-D61 PolarHBondContact O-N 3.36Å; H57-R212 PolarHBondContact CE1-O 3.13Å; H57-D213 IonicContact ND1-OD1 2.76Å; H57-D213 PolarHBondContact NE2-O 2.91Å; H57-I215 PolarHBondContact NE2-O 2.96Å |
| 58 | L | 97.5 | Very high | 97.4 | Very high | 4 Ų | 4 | 37.8 Ų | 37.8 | 2% | 0.021 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -57.7 | -43.8 | 176 | -62.4 | -175.6 | 0 | 0 | 0 | 113.4 | Q56 L62 I215 P217 L220 P252 L254 | Q56-L58 VanDerWaalsContact C-N 3.26Å; Q56-L58 PolarHBondContact O-N 3.06Å; L58-L62 VanDerWaalsContact O-CB 3.23Å; L58-L62 WeakPolarHBondContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CD1 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.42Å; L58-L62 PolarHBondContact O-N 3.17Å; L58-I215 HydrophobicContact CD1-CG2 4.25Å; L58-I215 WeakPolarHBondContact CD2-O 3.4Å; L58-P217 HydrophobicContact CD2-CG 3.87Å; L58-L220 HydrophobicContact CD1-CD1 3.65Å; L58-P252 HydrophobicContact CB-CG 4.35Å; L58-P252 HydrophobicContact CD1-CG 3.95Å; L58-L254 HydrophobicContact CD1-CD1 4.21Å; L58-L254 HydrophobicContact CD1-CD2 4.25Å; L58-L254 HydrophobicContact CD1-CG 4.42Å |
| 59 | A | 97.9 | Very high | 97.4 | Very high | 0 Ų | 0 | 39.2 Ų | 39.2 | 0% | 0 | 20% | 0.197 | C | C | . | . | H | α-helix | trans | -73 | -36 | -178.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | Q56 H57 V63 V251 F253 | Q56-A59 HydrophobicContact CB-CB 4.02Å; Q56-A59 PolarHBondContact O-N 2.72Å; H57-A59 VanDerWaalsContact C-N 3.35Å; H57-A59 PolarHBondContact O-N 3.48Å; A59-V63 WeakPolarHBondContact O-CB 3.43Å; A59-V63 WeakPolarHBondContact O-CG2 3.32Å; A59-V63 PolarHBondContact O-N 2.86Å; A59-V63 VanDerWaalsContact O-N 3.09Å; A59-V251 HydrophobicContact CB-CG1 3.68Å; A59-F253 HydrophobicContact CB-CD1 4.34Å; A59-F253 HydrophobicContact CB-CD2 4.41Å; A59-F253 HydrophobicContact CB-CE1 3.94Å; A59-F253 HydrophobicContact CB-CE2 4.01Å; A59-F253 HydrophobicContact CB-CZ 3.77Å |
| 60 | Q | 97.9 | Very high | 97.3 | Very high | 26 Ų | 26 | 40 Ų | 40 | 12% | 0.121 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -60.3 | -53.1 | 175.2 | -67.5 | 169.1 | -9.6 | 0 | 0 | 110.5 | L49 V53 Q56 H57 S64 | L49-Q60 HydrophobicContact CB-CG 4.26Å; L49-Q60 PolarHBondContact O-NE2 3.49Å; L49-Q60 VanDerWaalsContact O-NE2 3.13Å; V53-Q60 HydrophobicContact CB-CG 4.46Å; V53-Q60 PolarHBondContact O-NE2 3.35Å; Q56-Q60 VanDerWaalsContact O-CG 3.28Å; Q56-Q60 WeakPolarHBondContact O-CG 3.45Å; Q56-Q60 PolarHBondContact O-N 3.01Å; H57-Q60 PolarHBondContact O-N 3.03Å; Q60-S64 WeakPolarHBondContact O-CB 3.47Å; Q60-S64 PolarHBondContact O-N 2.9Å |
| 61 | D | 97.1 | Very high | 97.1 | Very high | 102 Ų | 102 | 33.7 Ų | 33.7 | 55% | 0.545 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.3 | -51.9 | -176.7 | -65.9 | -16.1 | 0 | 0 | 0 | 111.4 | H57 V63 S64 E65 | H57-D61 PolarHBondContact O-N 3.36Å; D61-V63 PolarHBondContact O-N 3.1Å; D61-S64 PolarHBondContact O-N 3.46Å; D61-E65 VanDerWaalsContact O-CB 3.29Å; D61-E65 WeakPolarHBondContact O-CB 3.27Å; D61-E65 PolarHBondContact O-N 3.49Å |
| 62 | L | 97.6 | Very high | 97 | Very high | 5 Ų | 5 | 34 Ų | 34 | 3% | 0.026 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -62.7 | -41.8 | -177.2 | -69.4 | 174.5 | 0 | 0 | 0 | 112.5 | L58 E66 P217 V251 | L58-L62 VanDerWaalsContact O-CB 3.23Å; L58-L62 WeakPolarHBondContact O-CB 3.26Å; L58-L62 WeakPolarHBondContact O-CD1 3.23Å; L58-L62 WeakPolarHBondContact O-CG 3.42Å; L58-L62 PolarHBondContact O-N 3.17Å; L62-E66 VanDerWaalsContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CB 3.21Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.05Å; L62-P217 HydrophobicContact CD1-CB 4.29Å; L62-P217 HydrophobicContact CD1-CG 4.45Å; L62-P217 HydrophobicContact CD2-CB 4.3Å; L62-P217 HydrophobicContact CD2-CG 4.16Å; L62-P217 HydrophobicContact CG-CG 4.44Å; L62-V251 HydrophobicContact CB-CG1 4.5Å; L62-V251 HydrophobicContact CB-CG2 4.49Å |
| 63 | V | 98.3 | Very high | 96.8 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 19% | 0.189 | C | C | . | . | H | α-helix | trans | -70.7 | -42.6 | 179.7 | 174 | 0 | 0 | 0 | 0 | 110.4 | L49 A59 D61 V67 F84 V95 V251 | L49-V63 HydrophobicContact CD1-CB 4.37Å; L49-V63 HydrophobicContact CD1-CG1 4.13Å; A59-V63 WeakPolarHBondContact O-CB 3.43Å; A59-V63 WeakPolarHBondContact O-CG2 3.32Å; A59-V63 PolarHBondContact O-N 2.86Å; A59-V63 VanDerWaalsContact O-N 3.09Å; D61-V63 PolarHBondContact O-N 3.1Å; V63-V67 HydrophobicContact CG1-CG2 4.09Å; V63-V67 VanDerWaalsContact O-CB 3.24Å; V63-V67 WeakPolarHBondContact O-CB 3.23Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 3.4Å; V63-F84 HydrophobicContact CG2-CE1 3.88Å; V63-F84 HydrophobicContact CG2-CZ 3.99Å; V63-V95 HydrophobicContact CG1-CG1 4.2Å; V63-V95 HydrophobicContact CG2-CG1 4.07Å; V63-V251 HydrophobicContact CG2-CG1 4.05Å; V63-V251 HydrophobicContact CG2-CG2 4.24Å |
| 64 | S | 97.7 | Very high | 96.2 | Very high | 16 Ų | 16 | 42.7 Ų | 42.7 | 11% | 0.112 | 22% | 0.223 | C | C | . | . | H | α-helix | trans | -59.9 | -48.6 | 177.2 | -172.8 | 0 | 0 | 0 | 0 | 111.3 | Q60 D61 S68 | Q60-S64 WeakPolarHBondContact O-CB 3.47Å; Q60-S64 PolarHBondContact O-N 2.9Å; D61-S64 PolarHBondContact O-N 3.46Å; S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.91Å |
| 65 | E | 97.3 | Very high | 95.6 | Very high | 125 Ų | 125 | 46.7 Ų | 46.7 | 58% | 0.584 | 25% | 0.245 | S | C | * | . | H | α-helix | trans | -61.8 | -53.5 | -179.7 | -175.9 | -178.6 | -178.1 | 0 | 0 | 112.1 | D61 V67 S68 S69 | D61-E65 VanDerWaalsContact O-CB 3.29Å; D61-E65 WeakPolarHBondContact O-CB 3.27Å; D61-E65 PolarHBondContact O-N 3.49Å; E65-V67 PolarHBondContact O-N 3.01Å; E65-S68 PolarHBondContact O-N 2.91Å; E65-S69 VanDerWaalsContact O-CB 3.23Å; E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.24Å |
| 66 | E | 97.9 | Very high | 95.4 | Very high | 34 Ų | 34 | 46.3 Ų | 46.3 | 16% | 0.159 | 24% | 0.241 | C | C | . | . | H | α-helix | trans | -66.1 | -41.3 | -175.3 | -67.8 | -70.6 | 170.3 | 0 | 0 | 111.8 | L62 F70 L80 L82 R249 | L62-E66 VanDerWaalsContact O-CB 3.3Å; L62-E66 WeakPolarHBondContact O-CB 3.21Å; L62-E66 WeakPolarHBondContact O-CG 3.35Å; L62-E66 PolarHBondContact O-N 3.05Å; E66-F70 WeakPolarHBondContact O-CB 3.39Å; E66-F70 PolarHBondContact O-N 3.34Å; E66-L80 HydrophobicContact CB-CD1 4.17Å; E66-L82 HydrophobicContact CB-CD2 4.07Å; E66-L82 HydrophobicContact CG-CD2 4.37Å; E66-R249 HydrophobicContact CG-CB 3.97Å; E66-R249 HydrophobicContact CG-CG 4.06Å; E66-R249 WeakPolarHBondContact OE1-CD 3.29Å |
| 67 | V | 97.6 | Very high | 95 | Very high | 1 Ų | 1 | 52.2 Ų | 52.2 | 1% | 0.006 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -67.7 | -46.8 | 177.2 | 174.6 | 0 | 0 | 0 | 0 | 110.1 | L45 V63 E65 S69 F70 L71 L80 L82 L99 L103 | L45-V67 HydrophobicContact CD2-CB 4.46Å; L45-V67 HydrophobicContact CD2-CG1 3.98Å; V63-V67 HydrophobicContact CG1-CG2 4.09Å; V63-V67 VanDerWaalsContact O-CB 3.24Å; V63-V67 WeakPolarHBondContact O-CB 3.23Å; V63-V67 WeakPolarHBondContact O-CG2 3.44Å; V63-V67 PolarHBondContact O-N 3.4Å; E65-V67 PolarHBondContact O-N 3.01Å; V67-S69 PolarHBondContact O-N 2.95Å; V67-F70 PolarHBondContact O-N 3.03Å; V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 HydrophobicContact CG1-CG 4.18Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.27Å; V67-L80 HydrophobicContact CG2-CD2 3.95Å; V67-L82 HydrophobicContact CG2-CD1 4.3Å; V67-L99 HydrophobicContact CB-CD1 4.47Å; V67-L99 HydrophobicContact CG1-CD1 3.98Å; V67-L99 HydrophobicContact CG2-CD1 3.67Å; V67-L103 HydrophobicContact CG1-CD2 4.43Å |
| 68 | S | 96.9 | Very high | 94.7 | Very high | 32 Ų | 32 | 55.9 Ų | 55.9 | 22% | 0.224 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -58 | -51.7 | 178.2 | -177.2 | 0 | 0 | 0 | 0 | 111.4 | S64 E65 F70 L71 L72 | S64-S68 WeakPolarHBondContact O-CB 3.12Å; S64-S68 PolarHBondContact O-N 2.91Å; E65-S68 PolarHBondContact O-N 2.91Å; S68-F70 PolarHBondContact O-N 2.97Å; S68-L71 PolarHBondContact O-N 3.46Å; S68-L72 WeakPolarHBondContact O-CB 3.4Å; S68-L72 VanDerWaalsContact O-CG 3.25Å; S68-L72 WeakPolarHBondContact O-CG 3.49Å; S68-L72 PolarHBondContact O-N 3.36Å |
| 69 | S | 96.9 | Very high | 94.6 | Very high | 74 Ų | 74 | 55.8 Ų | 55.8 | 52% | 0.517 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -57.3 | -46.2 | 177.8 | -177.7 | 0 | 0 | 0 | 0 | 112.2 | E65 V67 L71 L72 N73 | E65-S69 VanDerWaalsContact O-CB 3.23Å; E65-S69 WeakPolarHBondContact O-CB 3.39Å; E65-S69 PolarHBondContact O-N 3.24Å; V67-S69 PolarHBondContact O-N 2.95Å; S69-L71 PolarHBondContact O-N 2.84Å; S69-L72 PolarHBondContact O-N 3.41Å; S69-N73 PolarHBondContact O-N 3.41Å; S69-N73 VanDerWaalsContact O-N 3.12Å |
| 70 | F | 96.3 | Very high | 94.6 | Very high | 18 Ų | 18 | 56 Ų | 56 | 8% | 0.079 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -64.5 | -38.4 | 179.2 | 179.6 | -108.4 | 0 | 0 | 0 | 113.3 | E66 V67 S68 P76 L80 R183 K184 A185 I186 | E66-F70 WeakPolarHBondContact O-CB 3.39Å; E66-F70 PolarHBondContact O-N 3.34Å; V67-F70 PolarHBondContact O-N 3.03Å; S68-F70 PolarHBondContact O-N 2.97Å; F70-P76 HydrophobicContact CD2-CB 4.07Å; F70-P76 HydrophobicContact CE2-CB 3.61Å; F70-P76 HydrophobicContact CE2-CG 3.84Å; F70-P76 HydrophobicContact CZ-CB 4.5Å; F70-P76 HydrophobicContact CZ-CG 4.26Å; F70-L80 HydrophobicContact CB-CB 4.3Å; F70-L80 HydrophobicContact CB-CD2 4Å; F70-L80 HydrophobicContact CD1-CB 3.77Å; F70-L80 HydrophobicContact CD1-CD2 4.06Å; F70-L80 HydrophobicContact CD2-CB 3.74Å; F70-L80 HydrophobicContact CE1-CB 3.91Å; F70-L80 HydrophobicContact CE2-CB 3.88Å; F70-L80 HydrophobicContact CG-CB 3.67Å; F70-L80 HydrophobicContact CG-CD2 4.1Å; F70-L80 HydrophobicContact CG-CG 4.39Å; F70-L80 HydrophobicContact CZ-CB 3.95Å; F70-R183 WeakPolarHBondContact CE2-O 3.49Å; F70-R183 WeakPolarHBondContact CZ-O 3.48Å; F70-K184 WeakPolarHBondContact CE1-O 3.24Å; F70-K184 WeakPolarHBondContact CZ-O 3.34Å; F70-A185 WeakPolarHBondContact CZ-O 3.46Å; F70-I186 HydrophobicContact CD1-CD1 4.24Å; F70-I186 HydrophobicContact CD1-CG1 4.11Å; F70-I186 HydrophobicContact CE1-CD1 4.14Å; F70-I186 HydrophobicContact CE1-CG1 3.63Å; F70-I186 HydrophobicContact CZ-CG1 4.5Å |
| 71 | L | 93.6 | Very high | 94.6 | Very high | 24 Ų | 24 | 54.7 Ų | 54.7 | 13% | 0.126 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -76.1 | -33.4 | -179.6 | -67.5 | -174.1 | 0 | 0 | 0 | 113 | F38 P40 I42 V67 S68 S69 N73 L103 | F38-L71 HydrophobicContact CE1-CD2 4.31Å; F38-L71 HydrophobicContact CZ-CD1 4.45Å; F38-L71 HydrophobicContact CZ-CD2 3.56Å; P40-L71 HydrophobicContact CB-CD1 3.59Å; P40-L71 HydrophobicContact CG-CD1 4.27Å; I42-L71 HydrophobicContact CD1-CB 4.23Å; I42-L71 HydrophobicContact CD1-CD1 4.36Å; I42-L71 HydrophobicContact CG1-CD1 4.06Å; V67-L71 HydrophobicContact CG1-CD1 3.82Å; V67-L71 HydrophobicContact CG1-CG 4.18Å; V67-L71 WeakPolarHBondContact O-CB 3.41Å; V67-L71 WeakPolarHBondContact O-CG 3.43Å; V67-L71 PolarHBondContact O-N 3.27Å; S68-L71 PolarHBondContact O-N 3.46Å; S69-L71 PolarHBondContact O-N 2.84Å; L71-N73 VanDerWaalsContact C-N 3.3Å; L71-L103 HydrophobicContact CD1-CD2 3.71Å |
| 72 | L | 93.2 | Very high | 94.6 | Very high | 126 Ų | 126 | 49.9 Ų | 49.9 | 66% | 0.66 | 25% | 0.254 | S | S | * | . | H | α-helix | trans | -67.7 | -32.1 | 173.7 | -70.4 | 171.3 | 0 | 0 | 0 | 111.7 | S68 S69 K74 | S68-L72 WeakPolarHBondContact O-CB 3.4Å; S68-L72 VanDerWaalsContact O-CG 3.25Å; S68-L72 WeakPolarHBondContact O-CG 3.49Å; S68-L72 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 3.41Å; L72-K74 PolarHBondContact O-N 3.03Å |
| 73 | N | 91.1 | Very high | 94.6 | Very high | 71 Ų | 71 | 49.6 Ų | 49.6 | 38% | 0.38 | 25% | 0.252 | S | S | . | . | trans | -74.2 | 105.2 | 173 | -171 | -6.5 | 0 | 0 | 0 | 111.4 | S69 L71 N75 | S69-N73 PolarHBondContact O-N 3.41Å; S69-N73 VanDerWaalsContact O-N 3.12Å; L71-N73 VanDerWaalsContact C-N 3.3Å; N73-N75 PolarHBondContact O-N 3.11Å; N73-N75 PolarHBondContact OD1-N 3.3Å; N73-N75 PolarHBondContact OD1-O 3.08Å | ||
| 74 | K | 85.6 | Confident | 94.5 | Very high | 167 Ų | 167 | 49.6 Ų | 49.6 | 73% | 0.726 | 25% | 0.252 | S | S | * | . | S | Bend | trans | -66.2 | -26.1 | 178.8 | -65.5 | -174 | 179 | -178.7 | 0 | 113.6 | L72 K184 | L72-K74 PolarHBondContact O-N 3.03Å; K74-K184 WeakPolarHBondContact O-CE 3.31Å |
| 75 | N | 86.1 | Confident | 94.5 | Very high | 112 Ų | 112 | 48.9 Ų | 48.9 | 60% | 0.599 | 25% | 0.247 | S | C | * | . | S | Bend | trans | -130.4 | 70.7 | -175.9 | -70.3 | -31.8 | 0 | 0 | 0 | 110.2 | N73 | N73-N75 PolarHBondContact O-N 3.11Å; N73-N75 PolarHBondContact OD1-N 3.3Å; N73-N75 PolarHBondContact OD1-O 3.08Å |
| 76 | P | 90.7 | Very high | 94.4 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 3% | 0.026 | 22% | 0.219 | C | C | . | . | trans | -65 | 143.2 | 178.1 | 29.2 | -35.7 | 0 | 0 | 0 | 111.1 | F70 R78 R183 K184 | F70-P76 HydrophobicContact CD2-CB 4.07Å; F70-P76 HydrophobicContact CE2-CB 3.61Å; F70-P76 HydrophobicContact CE2-CG 3.84Å; F70-P76 HydrophobicContact CZ-CB 4.5Å; F70-P76 HydrophobicContact CZ-CG 4.26Å; P76-R78 VanDerWaalsContact C-N 3.31Å; P76-R183 HydrophobicContact CG-CB 4.22Å; P76-R183 WeakPolarHBondContact CG-O 3.48Å; P76-R183 WeakPolarHBondContact O-CB 3.22Å; P76-R183 VanDerWaalsContact O-CD 3.27Å; P76-R183 WeakPolarHBondContact O-CD 3.4Å; P76-R183 PolarHBondContact O-NE 3.14Å; P76-K184 HydrophobicContact CG-CG 4.16Å | ||
| 77 | D | 89.6 | Confident | 94.2 | Very high | 125 Ų | 125 | 42.3 Ų | 42.3 | 67% | 0.668 | 22% | 0.219 | S | C | * | . | S | Bend | trans | -79.4 | -13.8 | 178.4 | -64.5 | -38.8 | 0 | 0 | 0 | 113.1 | P173 R183 | D77-P173 WeakPolarHBondContact O-CA 3.46Å; D77-P173 WeakPolarHBondContact O-CB 3.17Å; D77-R183 VanDerWaalsContact C-CD 3.44Å; D77-R183 VanDerWaalsContact O-CD 3.23Å; D77-R183 WeakPolarHBondContact O-CD 3.26Å |
| 78 | R | 92.6 | Very high | 94.1 | Very high | 108 Ų | 108 | 44.5 Ų | 44.5 | 41% | 0.408 | 23% | 0.234 | S | C | . | . | S | Bend | trans | -159.3 | 158.8 | 175.2 | 58.8 | 178.8 | 173.2 | 172.5 | -0 | 109.6 | P76 R183 N245 | P76-R78 VanDerWaalsContact C-N 3.31Å; R78-R183 CarbonylContact C-O 3.59Å; R78-N245 PolarHBondContact NH1-O 3.38Å |
| 79 | P | 95.1 | Very high | 94.1 | Very high | 2 Ų | 2 | 44 Ų | 44 | 1% | 0.013 | 23% | 0.234 | C | C | . | . | trans | -62.8 | 160.9 | 172.5 | 30.2 | -37.7 | 0 | 0 | 0 | 112.4 | V81 F170 L171 R183 A185 Y187 | P79-V81 HydrophobicContact CG-CG2 4.37Å; P79-F170 WeakPolarHBondContact CG-O 3.49Å; P79-L171 HydrophobicContact CG-CD2 4.33Å; P79-R183 VanDerWaalsContact CA-O 3.25Å; P79-R183 WeakPolarHBondContact CA-O 3.21Å; P79-A185 WeakPolarHBondContact CA-O 3.18Å; P79-A185 HydrophobicContact CB-CB 4.4Å; P79-A185 WeakPolarHBondContact CB-O 3.47Å; P79-Y187 HydrophobicContact CB-CD2 4.01Å; P79-Y187 HydrophobicContact CB-CE2 3.89Å; P79-Y187 HydrophobicContact CG-CD2 4.29Å; P79-Y187 HydrophobicContact CG-CE2 4.08Å | ||
| 80 | L | 97.2 | Very high | 94.1 | Very high | 3 Ų | 3 | 40.7 Ų | 40.7 | 2% | 0.016 | 21% | 0.211 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -79.4 | 122.6 | 171.8 | 176.6 | 60.7 | 0 | 0 | 0 | 109.3 | E66 V67 F70 L82 A185 I186 Y187 T248 | E66-L80 HydrophobicContact CB-CD1 4.17Å; V67-L80 HydrophobicContact CG2-CD2 3.95Å; F70-L80 HydrophobicContact CB-CB 4.3Å; F70-L80 HydrophobicContact CB-CD2 4Å; F70-L80 HydrophobicContact CD1-CB 3.77Å; F70-L80 HydrophobicContact CD1-CD2 4.06Å; F70-L80 HydrophobicContact CD2-CB 3.74Å; F70-L80 HydrophobicContact CE1-CB 3.91Å; F70-L80 HydrophobicContact CE2-CB 3.88Å; F70-L80 HydrophobicContact CG-CB 3.67Å; F70-L80 HydrophobicContact CG-CD2 4.1Å; F70-L80 HydrophobicContact CG-CG 4.39Å; F70-L80 HydrophobicContact CZ-CB 3.95Å; L80-L82 HydrophobicContact CD1-CD2 3.88Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 4.31Å; L80-L82 HydrophobicContact CD2-CG 4.35Å; L80-L82 HydrophobicContact CG-CD2 4.33Å; L80-L82 HydrophobicContact CG-CG 4.08Å; L80-A185 PolarHBondContact N-O 3.34Å; L80-A185 VanDerWaalsContact N-O 3.15Å; L80-I186 HydrophobicContact CB-CG1 4.22Å; L80-I186 HydrophobicContact CB-CG2 4.34Å; L80-I186 HydrophobicContact CD2-CD1 4.42Å; L80-I186 HydrophobicContact CD2-CG1 4.4Å; L80-I186 HydrophobicContact CD2-CG2 4.12Å; L80-I186 HydrophobicContact CG-CG2 4.26Å; L80-I186 CarbonylContact O-C 3.28Å; L80-I186 WeakPolarHBondContact O-CA 3.04Å; L80-Y187 PolarHBondContact O-N 3.18Å; L80-T248 HydrophobicContact CD1-CG2 3.87Å |
| 81 | V | 97.5 | Very high | 94.2 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 22% | 0.216 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.1 | 104.3 | 179.1 | -173 | 0 | 0 | 0 | 0 | 109.1 | P79 L171 Y187 F189 L246 I247 T248 R249 | P79-V81 HydrophobicContact CG-CG2 4.37Å; V81-L171 HydrophobicContact CG2-CD2 3.8Å; V81-Y187 WeakPolarHBondContact CA-O 3.49Å; V81-Y187 HydrophobicContact CG2-CD2 4.34Å; V81-F189 HydrophobicContact CG1-CD2 4.09Å; V81-F189 HydrophobicContact CG1-CE2 3.62Å; V81-F189 HydrophobicContact CG1-CZ 4.24Å; V81-L246 WeakPolarHBondContact CB-O 3.2Å; V81-L246 WeakPolarHBondContact CG2-O 3.34Å; V81-I247 HydrophobicContact CG1-CG1 4.17Å; V81-T248 PolarHBondContact N-OG1 2.69Å; V81-T248 WeakPolarHBondContact O-CA 3.36Å; V81-T248 VanDerWaalsContact O-CB 3.29Å; V81-T248 WeakPolarHBondContact O-CB 2.85Å; V81-T248 PolarHBondContact O-N 2.65Å; V81-R249 PolarHBondContact O-N 3.37Å |
| 82 | L | 98 | Very high | 94.4 | Very high | 0 Ų | 0 | 40.2 Ų | 40.2 | 0% | 0 | 21% | 0.213 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.4 | 132.9 | 177.6 | -61.2 | 177.5 | 0 | 0 | 0 | 110 | E66 V67 L80 F84 Y187 V188 F189 R249 V251 | E66-L82 HydrophobicContact CB-CD2 4.07Å; E66-L82 HydrophobicContact CG-CD2 4.37Å; V67-L82 HydrophobicContact CG2-CD1 4.3Å; L80-L82 HydrophobicContact CD1-CD2 3.88Å; L80-L82 HydrophobicContact CD1-CG 4.17Å; L80-L82 HydrophobicContact CD2-CD1 4.31Å; L80-L82 HydrophobicContact CD2-CG 4.35Å; L80-L82 HydrophobicContact CG-CD2 4.33Å; L80-L82 HydrophobicContact CG-CG 4.08Å; L82-F84 HydrophobicContact CB-CD1 4.27Å; L82-F84 HydrophobicContact CB-CE1 3.72Å; L82-F84 HydrophobicContact CB-CZ 4.47Å; L82-F84 HydrophobicContact CD1-CE1 4.09Å; L82-F84 HydrophobicContact CD1-CZ 4.32Å; L82-F84 HydrophobicContact CG-CE1 4.48Å; L82-Y187 PolarHBondContact N-O 2.88Å; L82-V188 CarbonylContact O-C 3.56Å; L82-V188 WeakPolarHBondContact O-CA 3.18Å; L82-F189 PolarHBondContact O-N 3.22Å; L82-R249 HydrophobicContact CD2-CB 3.98Å; L82-V251 HydrophobicContact CD2-CG2 4.46Å |
| 83 | S | 96.6 | Very high | 94.6 | Very high | 0 Ų | 0 | 37 Ų | 37 | 0% | 0 | 20% | 0.198 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.5 | 108.2 | 177.7 | -160 | 0 | 0 | 0 | 0 | 110.4 | H85 F189 R249 F250 V251 | S83-H85 WeakPolarHBondContact CB-NE2 3.31Å; S83-H85 PolarHBondContact O-CD2 3.42Å; S83-H85 PolarHBondContact OG-CE1 3.42Å; S83-H85 PolarHBondContact OG-NE2 2.77Å; S83-F189 CarbonylContact C-O 3.44Å; S83-F189 WeakPolarHBondContact CA-O 3.49Å; S83-R249 PolarHBondContact N-O 3.25Å; S83-F250 CarbonylContact O-C 3.55Å; S83-F250 WeakPolarHBondContact O-CA 3.41Å; S83-V251 PolarHBondContact O-N 3.21Å |
| 84 | F | 97.9 | Very high | 94.9 | Very high | 0 Ų | 0 | 37.2 Ų | 37.2 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -91.7 | 126.5 | -175.1 | -63.4 | -4.6 | 0 | 0 | 0 | 110.8 | V63 L82 K92 V95 V188 F189 I190 S191 V251 F253 | V63-F84 HydrophobicContact CG2-CE1 3.88Å; V63-F84 HydrophobicContact CG2-CZ 3.99Å; L82-F84 HydrophobicContact CB-CD1 4.27Å; L82-F84 HydrophobicContact CB-CE1 3.72Å; L82-F84 HydrophobicContact CB-CZ 4.47Å; L82-F84 HydrophobicContact CD1-CE1 4.09Å; L82-F84 HydrophobicContact CD1-CZ 4.32Å; L82-F84 HydrophobicContact CG-CE1 4.48Å; F84-K92 HydrophobicContact CB-CB 4.33Å; F84-K92 HydrophobicContact CB-CD 4.03Å; F84-K92 HydrophobicContact CB-CG 4.13Å; F84-K92 HydrophobicContact CD2-CB 4.31Å; F84-V95 HydrophobicContact CE2-CB 4.1Å; F84-V95 HydrophobicContact CE2-CG1 3.72Å; F84-V95 HydrophobicContact CZ-CG1 3.73Å; F84-V188 HydrophobicContact CD1-CG1 4.43Å; F84-V188 HydrophobicContact CD2-CG1 3.8Å; F84-V188 HydrophobicContact CE1-CG1 4.23Å; F84-V188 HydrophobicContact CE2-CG1 3.52Å; F84-V188 HydrophobicContact CG-CG1 4.26Å; F84-V188 HydrophobicContact CZ-CG1 3.76Å; F84-F189 PolarHBondContact N-O 3Å; F84-I190 HydrophobicContact CB-CG1 4.38Å; F84-I190 HydrophobicContact CD2-CD1 4.48Å; F84-I190 HydrophobicContact CD2-CG1 3.98Å; F84-S191 PolarHBondContact O-N 3.39Å; F84-V251 WeakPolarHBondContact CA-O 3.36Å; F84-V251 HydrophobicContact CD1-CB 3.67Å; F84-V251 HydrophobicContact CD1-CG1 4.27Å; F84-V251 HydrophobicContact CD1-CG2 3.86Å; F84-V251 HydrophobicContact CE1-CB 4.06Å; F84-V251 HydrophobicContact CE1-CG1 4.41Å; F84-V251 HydrophobicContact CE1-CG2 3.86Å; F84-F253 HydrophobicContact CB-CD2 4.24Å; F84-F253 HydrophobicContact CB-CE2 3.71Å; F84-F253 HydrophobicContact CD1-CE2 4.12Å; F84-F253 HydrophobicContact CD2-CE2 4.04Å; F84-F253 HydrophobicContact CD2-CZ 4.12Å; F84-F253 HydrophobicContact CE2-CZ 4.49Å; F84-F253 AromaticContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CZ 4.25Å |
| 85 | H | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 17% | 0.165 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -134.4 | 133.7 | -173.7 | -66 | -76.4 | 0 | 0 | 0 | 112.3 | S83 S191 A193 I198 V224 V228 F250 V251 P252 F253 | S83-H85 WeakPolarHBondContact CB-NE2 3.31Å; S83-H85 PolarHBondContact O-CD2 3.42Å; S83-H85 PolarHBondContact OG-CE1 3.42Å; S83-H85 PolarHBondContact OG-NE2 2.77Å; H85-S191 WeakPolarHBondContact CA-O 3.32Å; H85-A193 WeakPolarHBondContact CB-O 3.46Å; H85-A193 PolarHBondContact ND1-O 2.92Å; H85-I198 HydrophobicContact CB-CD1 4.33Å; H85-I198 WeakPolarHBondContact O-CD1 3.27Å; H85-V224 HydrophobicContact CB-CG1 3.78Å; H85-V228 WeakPolarHBondContact CE1-CG2 2.98Å; H85-F250 AromaticContact CD2-CD1 3.68Å; H85-F250 AromaticContact NE2-CD1 3.5Å; H85-F250 AromaticContact NE2-CE1 3.83Å; H85-V251 PolarHBondContact N-O 3.33Å; H85-P252 CarbonylContact O-C 3.57Å; H85-P252 WeakPolarHBondContact O-CA 3.41Å; H85-F253 PolarHBondContact O-N 3.49Å |
| 86 | G | 95.5 | Very high | 96.1 | Very high | 0 Ų | 0 | 24 Ų | 24 | 0% | 0 | 14% | 0.136 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | 155.9 | -179.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | K92 S191 T192 F253 | G86-K92 PolarHBondContact O-NZ 3.1Å; G86-S191 PolarHBondContact N-O 2.75Å; G86-T192 WeakPolarHBondContact O-CA 3.39Å; G86-F253 WeakPolarHBondContact CA-O 3.26Å |
| 87 | S | 95.3 | Very high | 96.4 | Very high | 22 Ų | 22 | 25.8 Ų | 25.8 | 15% | 0.154 | 15% | 0.147 | C | C | . | . | trans | -60.9 | 159.2 | -177.2 | -62.2 | 0 | 0 | 0 | 0 | 113.4 | T90 K92 | S87-T90 WeakPolarHBondContact O-CG2 3.42Å; S87-T90 PolarHBondContact O-OG1 3.42Å; S87-K92 PolarHBondContact O-NZ 3.2Å | ||
| 88 | S | 95.1 | Very high | 96.7 | Very high | 46 Ų | 46 | 20.4 Ų | 20.4 | 32% | 0.322 | 12% | 0.118 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.3 | 146.5 | 175.1 | -172.4 | 0 | 0 | 0 | 0 | 111.3 | T90 K304 | S88-T90 VanDerWaalsContact C-N 3.3Å; S88-T90 PolarHBondContact O-N 2.77Å; S88-K304 VanDerWaalsContact OG-CD 3.29Å; S88-K304 WeakPolarHBondContact OG-CD 3.48Å |
| 89 | G | 96.6 | Very high | 96.9 | Very high | 21 Ų | 21 | 15.3 Ų | 15.3 | 22% | 0.216 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 73.5 | 12.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 116.2 | C303 | G89-C303 PolarHBondContact O-N 3.49Š|
| 90 | T | 97.8 | Very high | 96.9 | Very high | 5 Ų | 5 | 15.2 Ų | 15.2 | 3% | 0.031 | 10% | 0.099 | C | C | . | . | S | Bend | trans | -88.4 | -6.9 | 179.7 | 49.9 | 0 | 0 | 0 | 0 | 114.7 | Q56 S87 S88 L254 L256 | Q56-T90 PolarHBondContact NE2-O 3.25Å; S87-T90 WeakPolarHBondContact O-CG2 3.42Å; S87-T90 PolarHBondContact O-OG1 3.42Å; S88-T90 VanDerWaalsContact C-N 3.3Å; S88-T90 PolarHBondContact O-N 2.77Å; T90-L254 WeakPolarHBondContact CG2-O 3.5Å; T90-L256 HydrophobicContact CG2-CG 4.42Å |
| 91 | G | 97.6 | Very high | 96.8 | Very high | 18 Ų | 18 | 18 Ų | 18 | 19% | 0.186 | 11% | 0.114 | C | C | . | . | S | Bend | trans | 109.9 | 6.2 | 174.6 | 0 | 0 | 0 | 0 | 0 | 116.6 | T93 L94 V95 | G91-T93 PolarHBondContact O-N 2.98Å; G91-L94 WeakPolarHBondContact O-CA 3.29Å; G91-L94 WeakPolarHBondContact O-CB 3.21Å; G91-L94 PolarHBondContact O-N 3.4Å; G91-V95 WeakPolarHBondContact O-CG2 3.41Å; G91-V95 PolarHBondContact O-N 3.29Å |
| 92 | K | 98.1 | Very high | 96.7 | Very high | 15 Ų | 15 | 19.3 Ų | 19.3 | 7% | 0.065 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -51.8 | -53.9 | 179.7 | -62.7 | -175 | -64.2 | -74.1 | 0 | 113.8 | F84 G86 S87 L94 V95 S96 I190 S191 F253 | F84-K92 HydrophobicContact CB-CB 4.33Å; F84-K92 HydrophobicContact CB-CD 4.03Å; F84-K92 HydrophobicContact CB-CG 4.13Å; F84-K92 HydrophobicContact CD2-CB 4.31Å; G86-K92 PolarHBondContact O-NZ 3.1Å; S87-K92 PolarHBondContact O-NZ 3.2Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.31Å; K92-V95 PolarHBondContact O-N 3.39Å; K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 VanDerWaalsContact O-N 3.12Å; K92-I190 HydrophobicContact CB-CG2 3.6Å; K92-I190 HydrophobicContact CD-CG2 3.87Å; K92-I190 HydrophobicContact CG-CG2 4.34Å; K92-S191 VanDerWaalsContact CE-O 3.27Å; K92-S191 WeakPolarHBondContact CE-O 3.49Å; K92-F253 HydrophobicContact CB-CE1 4.4Å; K92-F253 HydrophobicContact CB-CE2 4.48Å; K92-F253 HydrophobicContact CB-CZ 4.34Å; K92-F253 HydrophobicContact CD-CD2 4.17Å; K92-F253 HydrophobicContact CD-CG 4.34Å; K92-F253 HydrophobicContact CG-CB 4.14Å; K92-F253 HydrophobicContact CG-CD1 3.77Å; K92-F253 HydrophobicContact CG-CD2 3.55Å; K92-F253 HydrophobicContact CG-CE1 3.99Å; K92-F253 HydrophobicContact CG-CE2 3.79Å; K92-F253 HydrophobicContact CG-CG 3.53Å; K92-F253 HydrophobicContact CG-CZ 4Å |
| 93 | T | 97.1 | Very high | 96.5 | Very high | 58 Ų | 58 | 19.4 Ų | 19.4 | 36% | 0.356 | 12% | 0.12 | S | C | . | . | H | α-helix | trans | -67.8 | -29.4 | 178.1 | -44.9 | 0 | 0 | 0 | 0 | 112.3 | G91 S96 T97 D154 | G91-T93 PolarHBondContact O-N 2.98Å; T93-S96 WeakPolarHBondContact CA-OG 3.39Å; T93-S96 PolarHBondContact O-OG 3Å; T93-T97 WeakPolarHBondContact O-CB 3.44Å; T93-T97 PolarHBondContact O-N 3.48Å; T93-T97 PolarHBondContact O-OG1 3.23Å; T93-D154 PolarHBondContact OG1-OD2 3.18Å |
| 94 | L | 97.7 | Very high | 96.3 | Very high | 75 Ų | 75 | 19.6 Ų | 19.6 | 39% | 0.393 | 12% | 0.121 | S | C | . | . | H | α-helix | trans | -64.9 | -46.7 | 173.7 | 174.2 | 63.9 | 0 | 0 | 0 | 110.3 | V53 G91 K92 S96 T97 L98 | V53-L94 HydrophobicContact CG2-CD2 4.21Å; G91-L94 WeakPolarHBondContact O-CA 3.29Å; G91-L94 WeakPolarHBondContact O-CB 3.21Å; G91-L94 PolarHBondContact O-N 3.4Å; K92-L94 VanDerWaalsContact C-N 3.29Å; K92-L94 PolarHBondContact O-N 3.31Å; L94-S96 PolarHBondContact O-N 3.28Å; L94-T97 WeakPolarHBondContact O-CB 3.34Å; L94-T97 PolarHBondContact O-N 3.13Å; L94-L98 HydrophobicContact CD1-CG 4.38Å; L94-L98 HydrophobicContact CG-CD1 4.34Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.9Å |
| 95 | V | 98.4 | Very high | 95.6 | Very high | 1 Ų | 1 | 22.1 Ų | 22.1 | 1% | 0.006 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.2 | -43.8 | 177.6 | 171.4 | 0 | 0 | 0 | 0 | 111.5 | L49 V53 V63 F84 G91 K92 T97 L98 L99 F253 | L49-V95 HydrophobicContact CD2-CB 4.38Å; L49-V95 HydrophobicContact CD2-CG1 3.96Å; L49-V95 HydrophobicContact CD2-CG2 4.01Å; V53-V95 HydrophobicContact CG1-CG2 3.89Å; V53-V95 HydrophobicContact CG2-CG2 3.87Å; V63-V95 HydrophobicContact CG1-CG1 4.2Å; V63-V95 HydrophobicContact CG2-CG1 4.07Å; F84-V95 HydrophobicContact CE2-CB 4.1Å; F84-V95 HydrophobicContact CE2-CG1 3.72Å; F84-V95 HydrophobicContact CZ-CG1 3.73Å; G91-V95 WeakPolarHBondContact O-CG2 3.41Å; G91-V95 PolarHBondContact O-N 3.29Å; K92-V95 PolarHBondContact O-N 3.39Å; V95-T97 VanDerWaalsContact C-N 3.29Å; V95-T97 PolarHBondContact O-N 2.87Å; V95-L98 PolarHBondContact O-N 3.43Å; V95-L99 PolarHBondContact O-N 3.33Å; V95-F253 HydrophobicContact CB-CE1 4.43Å; V95-F253 HydrophobicContact CB-CZ 4.1Å; V95-F253 HydrophobicContact CG1-CZ 4.42Å; V95-F253 HydrophobicContact CG2-CE1 3.79Å; V95-F253 HydrophobicContact CG2-CZ 3.86Å |
| 96 | S | 97.6 | Very high | 95.2 | Very high | 0 Ų | 0 | 24.7 Ų | 24.7 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -65.4 | -33.4 | 176.2 | 64.4 | 0 | 0 | 0 | 0 | 112.8 | K92 T93 L94 L99 G100 | K92-S96 PolarHBondContact O-N 3.36Å; K92-S96 VanDerWaalsContact O-N 3.12Å; T93-S96 WeakPolarHBondContact CA-OG 3.39Å; T93-S96 PolarHBondContact O-OG 3Å; L94-S96 PolarHBondContact O-N 3.28Å; S96-L99 WeakPolarHBondContact O-CB 3.16Å; S96-L99 PolarHBondContact O-N 3.26Å; S96-G100 PolarHBondContact O-N 2.88Å; S96-G100 VanDerWaalsContact O-N 3.09Å |
| 97 | T | 96.9 | Very high | 94.9 | Very high | 42 Ų | 42 | 26.1 Ų | 26.1 | 26% | 0.258 | 18% | 0.176 | S | C | . | . | H | α-helix | trans | -66.6 | -45.8 | 174.3 | -58.1 | 0 | 0 | 0 | 0 | 110.9 | T93 L94 V95 L99 G100 N101 M108 | T93-T97 WeakPolarHBondContact O-CB 3.44Å; T93-T97 PolarHBondContact O-N 3.48Å; T93-T97 PolarHBondContact O-OG1 3.23Å; L94-T97 WeakPolarHBondContact O-CB 3.34Å; L94-T97 PolarHBondContact O-N 3.13Å; V95-T97 VanDerWaalsContact C-N 3.29Å; V95-T97 PolarHBondContact O-N 2.87Å; T97-L99 VanDerWaalsContact C-N 3.29Å; T97-L99 PolarHBondContact O-N 3Å; T97-G100 PolarHBondContact O-N 3.22Å; T97-N101 WeakPolarHBondContact O-CB 3.15Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-OD1 3.25Å; T97-M108 HydrophobicContact CG2-CG 3.86Å |
| 98 | L | 97.3 | Very high | 94.7 | Very high | 12 Ų | 12 | 27.5 Ų | 27.5 | 6% | 0.063 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -60.4 | -40.1 | 175.6 | -69.7 | 175.6 | 0 | 0 | 0 | 111.5 | L45 D48 L49 V53 L94 V95 N101 H102 | L45-L98 HydrophobicContact CD1-CB 4.2Å; D48-L98 HydrophobicContact CB-CD2 4.17Å; L49-L98 HydrophobicContact CD2-CD1 4.02Å; V53-L98 HydrophobicContact CG2-CD1 3.84Å; L94-L98 HydrophobicContact CD1-CG 4.38Å; L94-L98 HydrophobicContact CG-CD1 4.34Å; L94-L98 WeakPolarHBondContact O-CG 3.41Å; L94-L98 PolarHBondContact O-N 2.9Å; V95-L98 PolarHBondContact O-N 3.43Å; L98-N101 PolarHBondContact O-N 2.73Å; L98-H102 PolarHBondContact O-CD2 3.1Å; L98-H102 VanDerWaalsContact O-CD2 3.25Å; L98-H102 PolarHBondContact O-N 3.2Å |
| 99 | L | 96.4 | Very high | 94.6 | Very high | 1 Ų | 1 | 30.1 Ų | 30.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | H | α-helix | trans | -58.5 | -51.7 | 174 | -174.1 | 65.6 | 0 | 0 | 0 | 111.2 | L45 V67 V95 S96 T97 N101 H102 L103 I186 V188 | L45-L99 HydrophobicContact CD2-CD1 3.86Å; V67-L99 HydrophobicContact CB-CD1 4.47Å; V67-L99 HydrophobicContact CG1-CD1 3.98Å; V67-L99 HydrophobicContact CG2-CD1 3.67Å; V95-L99 PolarHBondContact O-N 3.33Å; S96-L99 WeakPolarHBondContact O-CB 3.16Å; S96-L99 PolarHBondContact O-N 3.26Å; T97-L99 VanDerWaalsContact C-N 3.29Å; T97-L99 PolarHBondContact O-N 3Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.34Å; L99-H102 PolarHBondContact O-N 3.05Å; L99-L103 HydrophobicContact CD1-CD1 3.7Å; L99-L103 HydrophobicContact CD1-CD2 4.44Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.42Å; L99-L103 HydrophobicContact CG-CD1 3.67Å; L99-L103 HydrophobicContact CG-CG 4.29Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 WeakPolarHBondContact O-CG 2.97Å; L99-L103 PolarHBondContact O-N 3.12Å; L99-I186 HydrophobicContact CD2-CG2 4.26Å; L99-V188 HydrophobicContact CD2-CG2 3.85Å |
| 100 | G | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 29.3 Ų | 29.3 | 0% | 0 | 19% | 0.19 | C | C | . | . | H | α-helix | trans | -59.9 | -39.6 | 176.6 | 0 | 0 | 0 | 0 | 0 | 113.2 | S96 T97 H102 Y104 | S96-G100 PolarHBondContact O-N 2.88Å; S96-G100 VanDerWaalsContact O-N 3.09Å; T97-G100 PolarHBondContact O-N 3.22Å; G100-H102 PolarHBondContact O-N 3.3Å; G100-Y104 PolarHBondContact O-N 2.97Å |
| 101 | N | 94.7 | Very high | 94.1 | Very high | 62 Ų | 62 | 33.1 Ų | 33.1 | 33% | 0.332 | 22% | 0.215 | S | C | . | . | H | α-helix | trans | -62.9 | -39.6 | 178.9 | -69.8 | -6.4 | 0 | 0 | 0 | 113.3 | T97 L98 L99 A107 M108 | T97-N101 WeakPolarHBondContact O-CB 3.15Å; T97-N101 PolarHBondContact O-N 2.84Å; T97-N101 PolarHBondContact O-OD1 3.25Å; L98-N101 PolarHBondContact O-N 2.73Å; L99-N101 VanDerWaalsContact C-N 3.31Å; L99-N101 PolarHBondContact O-N 3.34Å; N101-A107 HydrophobicContact CB-CB 4.24Å; N101-A107 WeakPolarHBondContact OD1-CB 3.24Å; N101-M108 WeakPolarHBondContact OD1-CG 3.22Å |
| 102 | H | 95.7 | Very high | 93.9 | Very high | 28 Ų | 28 | 34 Ų | 34 | 13% | 0.13 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -94.5 | -9.9 | -175.3 | -73.6 | -65.5 | 0 | 0 | 0 | 114.1 | P40 S41 L45 D48 L98 L99 G100 | P40-H102 CarbonylContact C-O 3.54Å; P40-H102 VanDerWaalsContact CA-O 3.27Å; P40-H102 WeakPolarHBondContact CA-O 3.25Å; S41-H102 PolarHBondContact N-O 2.88Å; L45-H102 HydrophobicContact CB-CB 3.75Å; L45-H102 HydrophobicContact CD1-CB 4.19Å; L45-H102 HydrophobicContact CG-CB 4.45Å; D48-H102 IonicContact OD2-CD2 3.77Å; D48-H102 IonicContact OD2-CE1 3.33Å; D48-H102 PolarHBondContact OD2-CE1 3.46Å; D48-H102 IonicContact OD2-NE2 3.11Å; D48-H102 PolarHBondContact OD2-NE2 3.19Å; L98-H102 PolarHBondContact O-CD2 3.1Å; L98-H102 VanDerWaalsContact O-CD2 3.25Å; L98-H102 PolarHBondContact O-N 3.2Å; L99-H102 PolarHBondContact O-N 3.05Å; G100-H102 PolarHBondContact O-N 3.3Å |
| 103 | L | 93.8 | Very high | 93.8 | Very high | 2 Ų | 2 | 34 Ų | 34 | 1% | 0.01 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -88.6 | -25 | 174.5 | -70.2 | 179.4 | 0 | 0 | 0 | 113.5 | F38 K39 P40 V67 L71 L99 V150 I186 | F38-L103 HydrophobicContact CD2-CB 4.46Å; F38-L103 WeakPolarHBondContact CD2-O 3.07Å; F38-L103 HydrophobicContact CE2-CB 4.03Å; F38-L103 HydrophobicContact CE2-CD2 3.94Å; F38-L103 HydrophobicContact CE2-CG 4.4Å; F38-L103 HydrophobicContact CZ-CD2 4.21Å; K39-L103 CarbonylContact C-O 3.54Å; K39-L103 PolarHBondContact N-O 3.11Å; P40-L103 HydrophobicContact CB-CD2 4Å; V67-L103 HydrophobicContact CG1-CD2 4.43Å; L71-L103 HydrophobicContact CD1-CD2 3.71Å; L99-L103 HydrophobicContact CD1-CD1 3.7Å; L99-L103 HydrophobicContact CD1-CD2 4.44Å; L99-L103 HydrophobicContact CD1-CG 4Å; L99-L103 HydrophobicContact CD2-CD1 4.42Å; L99-L103 HydrophobicContact CG-CD1 3.67Å; L99-L103 HydrophobicContact CG-CG 4.29Å; L99-L103 WeakPolarHBondContact O-CB 3.47Å; L99-L103 WeakPolarHBondContact O-CG 2.97Å; L99-L103 PolarHBondContact O-N 3.12Å; L103-V150 HydrophobicContact CD1-CG2 3.78Å; L103-I186 HydrophobicContact CD1-CD1 3.64Å |
| 104 | Y | 92.3 | Very high | 93.8 | Very high | 4 Ų | 4 | 32.1 Ų | 32.1 | 2% | 0.016 | 20% | 0.202 | C | C | . | . | B | Isolated β-bridge | trans | -131.2 | 142.3 | -172.1 | -69.7 | -84.4 | 0 | 0 | 0 | 112.3 | F38 G100 S106 A107 S110 F112 V113 R148 V150 | F38-Y104 HydrophobicContact CB-CD1 4.36Å; F38-Y104 HydrophobicContact CB-CE1 3.99Å; F38-Y104 HydrophobicContact CD2-CD1 4.48Å; F38-Y104 AromaticContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE1 3.98Å; F38-Y104 HydrophobicContact CD2-CE2 4.27Å; F38-Y104 AromaticContact CD2-CZ 3.86Å; G100-Y104 PolarHBondContact O-N 2.97Å; Y104-S106 PolarHBondContact O-N 3.46Å; Y104-A107 PolarHBondContact O-N 3.25Å; Y104-S110 VanDerWaalsContact CD1-OG 3.29Å; Y104-S110 WeakPolarHBondContact CD1-OG 3.21Å; Y104-F112 HydrophobicContact CE1-CB 3.69Å; Y104-F112 HydrophobicContact CE1-CD2 4.14Å; Y104-F112 HydrophobicContact CE1-CG 4.33Å; Y104-V113 HydrophobicContact CD2-CG2 3.34Å; Y104-V113 HydrophobicContact CE2-CG2 3.51Å; Y104-V113 HydrophobicContact CG-CG2 4.14Å; Y104-R148 PolarHBondContact OH-O 2.94Å; Y104-V150 HydrophobicContact CE2-CG2 3.7Å |
| 105 | G | 84.7 | Confident | 93.8 | Very high | 53 Ų | 53 | 32 Ų | 32 | 55% | 0.546 | 20% | 0.2 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.8 | -36.9 | 177.3 | 0 | 0 | 0 | 0 | 0 | 113 | D37 A107 | D37-G105 PolarHBondContact O-N 3.45Å; G105-A107 VanDerWaalsContact C-N 3.3Å |
| 106 | S | 85.8 | Confident | 93.7 | Very high | 54 Ų | 54 | 32.9 Ų | 32.9 | 38% | 0.378 | 20% | 0.203 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -89.9 | 11.9 | 177 | -52.3 | 0 | 0 | 0 | 0 | 113.3 | D37 Y104 S109 S110 | D37-S106 PolarHBondContact OD2-N 3.15Å; D37-S106 VanDerWaalsContact OD2-N 3.16Å; D37-S106 PolarHBondContact OD2-OG 3.19Å; Y104-S106 PolarHBondContact O-N 3.46Å; S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 3.4Å; S106-S109 PolarHBondContact O-OG 2.89Å; S106-S110 PolarHBondContact O-N 3.05Å |
| 107 | A | 90.6 | Very high | 93.7 | Very high | 29 Ų | 29 | 34.4 Ų | 34.4 | 24% | 0.24 | 21% | 0.213 | C | C | . | . | G | 310 helix | trans | 52.6 | -143.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.1 | N101 Y104 G105 S109 S110 | N101-A107 HydrophobicContact CB-CB 4.24Å; N101-A107 WeakPolarHBondContact OD1-CB 3.24Å; Y104-A107 PolarHBondContact O-N 3.25Å; G105-A107 VanDerWaalsContact C-N 3.3Å; A107-S109 PolarHBondContact O-N 3.2Å; A107-S109 VanDerWaalsContact O-N 3.08Å; A107-S110 WeakPolarHBondContact O-CB 3.14Å; A107-S110 PolarHBondContact O-N 3Å |
| 108 | M | 91.1 | Very high | 93.5 | Very high | 52 Ų | 52 | 32.5 Ų | 32.5 | 26% | 0.256 | 20% | 0.201 | S | C | . | . | G | 310 helix | trans | -60.4 | -14.3 | 175 | -69.2 | -60.5 | -65.2 | 0 | 0 | 114.9 | T97 N101 S110 V113 I152 | T97-M108 HydrophobicContact CG2-CG 3.86Å; N101-M108 WeakPolarHBondContact OD1-CG 3.22Å; M108-S110 VanDerWaalsContact C-N 3.29Å; M108-V113 HydrophobicContact CE-CG1 3.86Å; M108-V113 HydrophobicContact SD-CG1 3.79Å; M108-I152 HydrophobicContact CE-CD1 3.95Å; M108-I152 HydrophobicContact SD-CD1 4.41Å |
| 109 | S | 91.8 | Very high | 93.3 | Very high | 101 Ų | 101 | 35.5 Ų | 35.5 | 71% | 0.706 | 22% | 0.22 | S | C | * | . | G | 310 helix | trans | -85.5 | -3.2 | 175.1 | 74.3 | 0 | 0 | 0 | 0 | 113.4 | S106 A107 | S106-S109 WeakPolarHBondContact O-CB 3.45Å; S106-S109 PolarHBondContact O-N 3.4Å; S106-S109 PolarHBondContact O-OG 2.89Å; A107-S109 PolarHBondContact O-N 3.2Å; A107-S109 VanDerWaalsContact O-N 3.08Å |
| 110 | S | 91.4 | Very high | 93.2 | Very high | 3 Ų | 3 | 41.5 Ų | 41.5 | 2% | 0.021 | 25% | 0.252 | C | S | . | . | S | Bend | trans | -57.3 | 133.9 | 173.5 | 175.7 | 0 | 0 | 0 | 0 | 110.5 | Y104 S106 A107 M108 F112 V113 | Y104-S110 VanDerWaalsContact CD1-OG 3.29Å; Y104-S110 WeakPolarHBondContact CD1-OG 3.21Å; S106-S110 PolarHBondContact O-N 3.05Å; A107-S110 WeakPolarHBondContact O-CB 3.14Å; A107-S110 PolarHBondContact O-N 3Å; M108-S110 VanDerWaalsContact C-N 3.29Å; S110-F112 PolarHBondContact O-N 3.34Å; S110-F112 PolarHBondContact OG-N 2.96Å; S110-V113 PolarHBondContact O-N 3.04Å; S110-V113 VanDerWaalsContact O-N 3.11Å |
| 111 | P | 92.4 | Very high | 93.3 | Very high | 85 Ų | 85 | 45 Ų | 45 | 55% | 0.552 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67 | -2.8 | 176.4 | 30.4 | -35.9 | 0 | 0 | 0 | 113 | H114 | P111-H114 PolarHBondContact O-CE1 3.26Š|
| 112 | F | 94.4 | Very high | 93.3 | Very high | 38 Ų | 38 | 42.7 Ų | 42.7 | 17% | 0.167 | 26% | 0.255 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 3.3 | 179.1 | -48.6 | -66.3 | 0 | 0 | 0 | 113 | C36 Y104 S110 C146 S149 V150 | C36-F112 HydrophobicContact CB-CD1 4.11Å; C36-F112 HydrophobicContact CB-CD2 3.58Å; C36-F112 HydrophobicContact CB-CE1 3.82Å; C36-F112 HydrophobicContact CB-CE2 3.24Å; C36-F112 HydrophobicContact CB-CG 4Å; C36-F112 HydrophobicContact CB-CZ 3.38Å; C36-F112 WeakPolarHBondContact O-CD2 3.48Å; C36-F112 WeakPolarHBondContact O-CE2 3.46Å; Y104-F112 HydrophobicContact CE1-CB 3.69Å; Y104-F112 HydrophobicContact CE1-CD2 4.14Å; Y104-F112 HydrophobicContact CE1-CG 4.33Å; S110-F112 PolarHBondContact O-N 3.34Å; S110-F112 PolarHBondContact OG-N 2.96Å; F112-C146 HydrophobicContact CB-CB 4.47Å; F112-C146 HydrophobicContact CD1-CB 3.3Å; F112-C146 HydrophobicContact CE1-CB 3.65Å; F112-C146 HydrophobicContact CG-CB 3.96Å; F112-S149 CarbonylContact O-C 3.57Å; F112-S149 WeakPolarHBondContact O-CA 3.42Å; F112-V150 PolarHBondContact O-N 3.47Å |
| 113 | V | 96.2 | Very high | 93.3 | Very high | 14 Ų | 14 | 45.8 Ų | 45.8 | 9% | 0.085 | 28% | 0.277 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 118.3 | 169.3 | -178.8 | 0 | 0 | 0 | 0 | 107.8 | Y104 M108 S110 V150 I152 | Y104-V113 HydrophobicContact CD2-CG2 3.34Å; Y104-V113 HydrophobicContact CE2-CG2 3.51Å; Y104-V113 HydrophobicContact CG-CG2 4.14Å; M108-V113 HydrophobicContact CE-CG1 3.86Å; M108-V113 HydrophobicContact SD-CG1 3.79Å; S110-V113 PolarHBondContact O-N 3.04Å; S110-V113 VanDerWaalsContact O-N 3.11Å; V113-V150 HydrophobicContact CG2-CB 4.44Å; V113-I152 HydrophobicContact CG1-CD1 4.19Å |
| 114 | H | 97.1 | Very high | 93.2 | Very high | 18 Ų | 18 | 47.5 Ų | 47.5 | 8% | 0.083 | 29% | 0.289 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 121.9 | -173.4 | -50.7 | -76 | 0 | 0 | 0 | 109.7 | P111 F116 W138 N142 V150 F151 I152 | P111-H114 PolarHBondContact O-CE1 3.26Å; H114-F116 HydrophobicContact CB-CE2 4.09Å; H114-W138 AromaticContact ND1-NE1 3.86Å; H114-N142 PolarHBondContact CE1-OD1 3.46Å; H114-N142 PolarHBondContact NE2-OD1 3.06Å; H114-V150 PolarHBondContact N-O 2.89Å; H114-F151 HydrophobicContact CB-CD1 3.81Å; H114-F151 HydrophobicContact CB-CE1 4.23Å; H114-F151 AromaticContact CD2-CD1 3.68Å; H114-F151 AromaticContact CD2-CE1 3.36Å; H114-F151 WeakPolarHBondContact CD2-CE1 3.3Å; H114-F151 AromaticContact CD2-CZ 3.98Å; H114-F151 AromaticContact CG-CE1 3.93Å; H114-F151 CarbonylContact O-C 3.36Å; H114-F151 WeakPolarHBondContact O-CA 3.41Å; H114-I152 PolarHBondContact O-N 3.18Å |
| 115 | Q | 97.1 | Very high | 93 | Very high | 73 Ų | 73 | 51.2 Ų | 51.2 | 34% | 0.341 | 32% | 0.321 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -112.5 | 126.2 | 177 | -174.7 | 174 | -5.9 | 0 | 0 | 110.8 | I152 | Q115-I152 CarbonylContact C-O 3.54Å; Q115-I152 WeakPolarHBondContact CA-O 3.14Å; Q115-I152 HydrophobicContact CB-CB 4.42Å; Q115-I152 HydrophobicContact CG-CB 4.32Å; Q115-I152 HydrophobicContact CG-CG2 4.28Å |
| 116 | F | 97.3 | Very high | 93.4 | Very high | 19 Ų | 19 | 57.3 Ų | 57.3 | 8% | 0.083 | 34% | 0.335 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.6 | 129.7 | 174.5 | -62.8 | -82.3 | 0 | 0 | 0 | 109.7 | H114 F122 L135 W138 F151 I152 F153 D154 | H114-F116 HydrophobicContact CB-CE2 4.09Å; F116-F122 HydrophobicContact CB-CE2 4.34Å; F116-F122 HydrophobicContact CD1-CE2 4.39Å; F116-F122 AromaticContact CD1-CZ 3.95Å; F116-F122 HydrophobicContact CD1-CZ 3.95Å; F116-L135 HydrophobicContact CE1-CD1 4.28Å; F116-L135 HydrophobicContact CE2-CD1 4.32Å; F116-L135 HydrophobicContact CZ-CD1 4.06Å; F116-W138 AromaticContact CZ-CD1 3.58Å; F116-W138 HydrophobicContact CZ-CG 4.35Å; F116-W138 AromaticContact CZ-NE1 3.69Å; F116-F151 HydrophobicContact CE2-CD1 4.15Å; F116-I152 PolarHBondContact N-O 3.41Å; F116-F153 HydrophobicContact CB-CD1 3.79Å; F116-F153 HydrophobicContact CB-CE1 4.1Å; F116-F153 HydrophobicContact CB-CG 4.5Å; F116-F153 AromaticContact CD2-CD1 3.97Å; F116-F153 HydrophobicContact CD2-CD1 3.97Å; F116-F153 AromaticContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE2 4.44Å; F116-F153 AromaticContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CE2-CE1 4.17Å; F116-F153 HydrophobicContact CE2-CZ 4.11Å; F116-F153 HydrophobicContact CG-CD1 4.13Å; F116-F153 AromaticContact CG-CE1 3.92Å; F116-F153 HydrophobicContact CG-CE1 3.92Å; F116-D154 PolarHBondContact O-N 3.01Å |
| 117 | V | 96.1 | Very high | 93.8 | Very high | 32 Ų | 32 | 58.1 Ų | 58.1 | 19% | 0.194 | 34% | 0.335 | C | S | . | . | trans | -117.1 | 112.8 | 171.4 | -176.4 | 0 | 0 | 0 | 0 | 107.2 | T119 L120 H121 D154 | V117-T119 VanDerWaalsContact C-N 3.29Å; V117-T119 WeakPolarHBondContact CG1-OG1 3.47Å; V117-T119 PolarHBondContact O-N 2.03Å; V117-L120 HydrophobicContact CB-CB 4.31Å; V117-L120 PolarHBondContact O-N 3.09Å; V117-H121 PolarHBondContact N-CE1 3.48Å; V117-H121 PolarHBondContact N-ND1 3.38Å; V117-H121 PolarHBondContact O-N 3.3Å; V117-H121 PolarHBondContact O-ND1 2.88Å; V117-D154 HydrophobicContact CG2-CB 4.34Å | ||
| 118 | P | 93.2 | Very high | 94 | Very high | 2 Ų | 2 | 58 Ų | 58 | 1% | 0.013 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -55.8 | -39 | -172.1 | -30.3 | 35 | 0 | 0 | 0 | 114.5 | L120 F122 D154 K158 M159 | P118-L120 PolarHBondContact O-N 2.78Å; P118-F122 HydrophobicContact CB-CD2 4.38Å; P118-F122 CarbonylContact O-C 3.16Å; P118-F122 VanDerWaalsContact O-CA 3.3Å; P118-F122 WeakPolarHBondContact O-CA 3.41Å; P118-F122 PolarHBondContact O-N 3.47Å; P118-D154 WeakPolarHBondContact CD-O 3.37Å; P118-D154 WeakPolarHBondContact CG-O 3.39Å; P118-K158 HydrophobicContact CB-CB 4.34Å; P118-K158 WeakPolarHBondContact CB-O 3.17Å; P118-M159 HydrophobicContact CB-CB 4.4Å; P118-M159 HydrophobicContact CB-SD 4.18Å; P118-M159 HydrophobicContact CG-CB 4Å; P118-M159 HydrophobicContact CG-SD 3.84Å |
| 119 | T | 92.6 | Very high | 94.1 | Very high | 75 Ų | 75 | 59.1 Ų | 59.1 | 46% | 0.46 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -64.9 | -23.7 | 178.6 | 48.1 | 0 | 0 | 0 | 0 | 113.7 | V117 E155 K158 | V117-T119 VanDerWaalsContact C-N 3.29Å; V117-T119 WeakPolarHBondContact CG1-OG1 3.47Å; V117-T119 PolarHBondContact O-N 2.03Å; T119-E155 PolarHBondContact OG1-OE2 3.08Å; T119-K158 HydrophobicContact CG2-CB 4.15Å; T119-K158 HydrophobicContact CG2-CD 3.31Å; T119-K158 HydrophobicContact CG2-CG 4.37Å |
| 120 | L | 95.4 | Very high | 94.4 | Very high | 128 Ų | 128 | 58.9 Ų | 58.9 | 67% | 0.67 | 34% | 0.336 | S | S | * | . | H | α-helix | trans | -95.3 | -44.1 | 177.5 | -179.3 | 62.6 | 0 | 0 | 0 | 111.9 | V117 P118 | V117-L120 HydrophobicContact CB-CB 4.31Å; V117-L120 PolarHBondContact O-N 3.09Å; P118-L120 PolarHBondContact O-N 2.78Å |
| 121 | H | 96.4 | Very high | 94.7 | Very high | 74 Ų | 74 | 59.6 Ų | 59.6 | 34% | 0.343 | 34% | 0.339 | S | S | . | . | H | α-helix | trans | -93.3 | -27.6 | -170.1 | -60.6 | 85.6 | 0 | 0 | 0 | 113.1 | V117 P123 | V117-H121 PolarHBondContact N-CE1 3.48Å; V117-H121 PolarHBondContact N-ND1 3.38Å; V117-H121 PolarHBondContact O-N 3.3Å; V117-H121 PolarHBondContact O-ND1 2.88Å; H121-P123 VanDerWaalsContact C-CD 3.41Å |
| 122 | F | 94.9 | Very high | 94.8 | Very high | 13 Ų | 13 | 59.6 Ų | 59.6 | 6% | 0.057 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -131.8 | 52 | -174.9 | -44.9 | -55.7 | 0 | 0 | 0 | 111.9 | F116 P118 S124 Y131 L135 M159 P160 L163 | F116-F122 HydrophobicContact CB-CE2 4.34Å; F116-F122 HydrophobicContact CD1-CE2 4.39Å; F116-F122 AromaticContact CD1-CZ 3.95Å; F116-F122 HydrophobicContact CD1-CZ 3.95Å; P118-F122 HydrophobicContact CB-CD2 4.38Å; P118-F122 CarbonylContact O-C 3.16Å; P118-F122 VanDerWaalsContact O-CA 3.3Å; P118-F122 WeakPolarHBondContact O-CA 3.41Å; P118-F122 PolarHBondContact O-N 3.47Å; F122-S124 VanDerWaalsContact C-N 3.35Å; F122-S124 PolarHBondContact O-N 3.3Å; F122-Y131 HydrophobicContact CB-CD2 3.85Å; F122-Y131 HydrophobicContact CB-CE2 4.02Å; F122-Y131 HydrophobicContact CD1-CD1 4.23Å; F122-Y131 AromaticContact CD1-CD2 3.99Å; F122-Y131 HydrophobicContact CD1-CD2 3.99Å; F122-Y131 AromaticContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CG-CD2 4.35Å; F122-L135 HydrophobicContact CZ-CD1 4.45Å; F122-L135 HydrophobicContact CZ-CD2 4.47Å; F122-M159 HydrophobicContact CD2-CE 4.06Å; F122-M159 HydrophobicContact CD2-SD 3.63Å; F122-M159 HydrophobicContact CE2-CE 3.87Å; F122-M159 HydrophobicContact CE2-SD 3.94Å; F122-P160 HydrophobicContact CB-CG 4.09Å; F122-L163 HydrophobicContact CB-CD2 3.8Å; F122-L163 HydrophobicContact CD1-CD2 3.78Å; F122-L163 HydrophobicContact CD2-CD2 3.55Å; F122-L163 HydrophobicContact CE1-CD2 4.25Å; F122-L163 HydrophobicContact CE2-CD2 4.05Å; F122-L163 HydrophobicContact CG-CD2 3.41Å; F122-L163 VanDerWaalsContact CG-CD2 3.41Å; F122-L163 HydrophobicContact CZ-CD2 4.38Å |
| 123 | P | 94.3 | Very high | 94.9 | Very high | 92 Ų | 92 | 63.2 Ų | 63.2 | 60% | 0.597 | 35% | 0.345 | S | S | * | . | trans | -71.4 | -24.1 | -167.2 | 28.9 | -37.3 | 0 | 0 | 0 | 114.6 | H121 | H121-P123 VanDerWaalsContact C-CD 3.41Š| ||
| 124 | S | 93.1 | Very high | 94.9 | Very high | 38 Ų | 38 | 67.1 Ų | 67.1 | 27% | 0.266 | 36% | 0.363 | S | S | . | . | trans | -110.7 | 122.3 | -173.9 | 179.2 | 0 | 0 | 0 | 0 | 112.4 | F122 E126 L127 Y131 | F122-S124 VanDerWaalsContact C-N 3.35Å; F122-S124 PolarHBondContact O-N 3.3Å; S124-E126 PolarHBondContact O-N 3.38Å; S124-E126 PolarHBondContact OG-N 2.77Å; S124-L127 PolarHBondContact O-N 3.01Å; S124-Y131 WeakPolarHBondContact O-CE2 3.4Å | ||
| 125 | A | 86.6 | Confident | 94.9 | Very high | 82 Ų | 82 | 66.4 Ų | 66.4 | 68% | 0.678 | 36% | 0.359 | S | S | * | . | G | 310 helix | trans | -64.9 | -22.9 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.3 | L127 V128 | A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 2.8Å; A125-V128 VanDerWaalsContact O-CG2 3.23Å; A125-V128 WeakPolarHBondContact O-CG2 3.04Å |
| 126 | E | 92.8 | Very high | 94.9 | Very high | 182 Ų | 182 | 67.1 Ų | 67.1 | 85% | 0.85 | 36% | 0.361 | S | S | * | . | G | 310 helix | trans | -72.9 | -24 | 179.7 | -61.6 | -180 | 174.5 | 0 | 0 | 112.4 | S124 | S124-E126 PolarHBondContact O-N 3.38Å; S124-E126 PolarHBondContact OG-N 2.77Å |
| 127 | L | 95.6 | Very high | 94.8 | Very high | 71 Ų | 71 | 70.2 Ų | 70.2 | 37% | 0.372 | 39% | 0.385 | S | S | . | . | G | 310 helix | trans | -96.5 | 9 | -175.9 | -63.1 | 179.8 | 0 | 0 | 0 | 113 | S124 A125 A129 Q130 Y131 | S124-L127 PolarHBondContact O-N 3.01Å; A125-L127 VanDerWaalsContact C-N 3.28Å; A125-L127 PolarHBondContact O-N 2.8Å; L127-A129 PolarHBondContact O-N 2.72Å; L127-A129 VanDerWaalsContact O-N 3.17Å; L127-Q130 WeakPolarHBondContact O-CA 3.46Å; L127-Q130 WeakPolarHBondContact O-CB 3.25Å; L127-Q130 PolarHBondContact O-N 2.97Å; L127-Y131 HydrophobicContact CB-CD1 4.35Å; L127-Y131 HydrophobicContact CB-CD2 4.2Å; L127-Y131 HydrophobicContact CB-CE1 3.8Å; L127-Y131 HydrophobicContact CB-CE2 3.65Å; L127-Y131 VanDerWaalsContact CB-CZ 3.41Å; L127-Y131 HydrophobicContact CD1-CE1 4.28Å; L127-Y131 WeakPolarHBondContact CD1-OH 3.45Å; L127-Y131 WeakPolarHBondContact O-CD2 3.29Å; L127-Y131 PolarHBondContact O-N 3.01Å |
| 128 | V | 93.6 | Very high | 94.8 | Very high | 26 Ų | 26 | 75.1 Ų | 75.1 | 16% | 0.158 | 40% | 0.4 | C | S | . | . | H | α-helix | trans | -54.7 | -39.5 | -177.3 | 169.8 | 0 | 0 | 0 | 0 | 112.3 | A125 Q130 Y131 R132 P160 L163 | A125-V128 VanDerWaalsContact O-CG2 3.23Å; A125-V128 WeakPolarHBondContact O-CG2 3.04Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.44Å; V128-Y131 PolarHBondContact O-N 3.23Å; V128-R132 HydrophobicContact CG1-CG 4.39Å; V128-R132 VanDerWaalsContact O-CG 3.23Å; V128-R132 WeakPolarHBondContact O-CG 3.27Å; V128-R132 PolarHBondContact O-N 3.34Å; V128-P160 HydrophobicContact CG2-CB 3.46Å; V128-P160 VanDerWaalsContact CG2-CB 3.46Å; V128-P160 HydrophobicContact CG2-CG 4.19Å; V128-L163 HydrophobicContact CG1-CB 4.38Å |
| 129 | A | 95 | Very high | 94.9 | Very high | 76 Ų | 76 | 75 Ų | 75 | 63% | 0.628 | 40% | 0.4 | S | S | * | . | H | α-helix | trans | -61.2 | -41.4 | 177.2 | 0 | 0 | 0 | 0 | 0 | 112.4 | L127 | L127-A129 PolarHBondContact O-N 2.72Å; L127-A129 VanDerWaalsContact O-N 3.17Å |
| 130 | Q | 96.8 | Very high | 94.9 | Very high | 96 Ų | 96 | 75.9 Ų | 75.9 | 45% | 0.449 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -68.3 | -47.5 | 176 | 177.2 | -179.8 | -9.8 | 0 | 0 | 111.1 | L127 V128 R132 E133 E134 | L127-Q130 WeakPolarHBondContact O-CA 3.46Å; L127-Q130 WeakPolarHBondContact O-CB 3.25Å; L127-Q130 PolarHBondContact O-N 2.97Å; V128-Q130 VanDerWaalsContact C-N 3.33Å; V128-Q130 PolarHBondContact O-N 3.44Å; Q130-R132 PolarHBondContact O-N 3.36Å; Q130-E133 PolarHBondContact O-N 2.85Å; Q130-E133 VanDerWaalsContact O-N 3.08Å; Q130-E134 HydrophobicContact CG-CG 4.32Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.48Å; Q130-E134 PolarHBondContact NE2-OE1 2.86Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.32Å |
| 131 | Y | 97.1 | Very high | 94.7 | Very high | 18 Ų | 18 | 71.8 Ų | 71.8 | 7% | 0.071 | 39% | 0.386 | C | S | . | . | H | α-helix | trans | -59.4 | -33.2 | 179.2 | -60.4 | -28.9 | 0 | 0 | 0 | 112.7 | F122 S124 L127 V128 L135 | F122-Y131 HydrophobicContact CB-CD2 3.85Å; F122-Y131 HydrophobicContact CB-CE2 4.02Å; F122-Y131 HydrophobicContact CD1-CD1 4.23Å; F122-Y131 AromaticContact CD1-CD2 3.99Å; F122-Y131 HydrophobicContact CD1-CD2 3.99Å; F122-Y131 AromaticContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CD1-CG 3.78Å; F122-Y131 HydrophobicContact CG-CD2 4.35Å; S124-Y131 WeakPolarHBondContact O-CE2 3.4Å; L127-Y131 HydrophobicContact CB-CD1 4.35Å; L127-Y131 HydrophobicContact CB-CD2 4.2Å; L127-Y131 HydrophobicContact CB-CE1 3.8Å; L127-Y131 HydrophobicContact CB-CE2 3.65Å; L127-Y131 VanDerWaalsContact CB-CZ 3.41Å; L127-Y131 HydrophobicContact CD1-CE1 4.28Å; L127-Y131 WeakPolarHBondContact CD1-OH 3.45Å; L127-Y131 WeakPolarHBondContact O-CD2 3.29Å; L127-Y131 PolarHBondContact O-N 3.01Å; V128-Y131 PolarHBondContact O-N 3.23Å; Y131-L135 WeakPolarHBondContact O-CB 3.36Å; Y131-L135 PolarHBondContact O-N 3.46Å |
| 132 | R | 95.8 | Very high | 94.5 | Very high | 85 Ų | 85 | 69.6 Ų | 69.6 | 32% | 0.321 | 38% | 0.377 | S | S | . | . | H | α-helix | trans | -60 | -50.2 | 174.1 | -75.1 | 172.5 | 75.6 | 121.2 | 12.8 | 110.9 | V128 Q130 L135 K136 G162 L163 V166 | V128-R132 HydrophobicContact CG1-CG 4.39Å; V128-R132 VanDerWaalsContact O-CG 3.23Å; V128-R132 WeakPolarHBondContact O-CG 3.27Å; V128-R132 PolarHBondContact O-N 3.34Å; Q130-R132 PolarHBondContact O-N 3.36Å; R132-L135 PolarHBondContact O-N 3.44Å; R132-K136 VanDerWaalsContact O-CB 3.25Å; R132-K136 WeakPolarHBondContact O-CB 3.48Å; R132-K136 PolarHBondContact O-N 3.04Å; R132-G162 VanDerWaalsContact CZ-O 3.26Å; R132-G162 PolarHBondContact NH1-O 3.3Å; R132-L163 HydrophobicContact CB-CD1 4.21Å; R132-L163 HydrophobicContact CG-CD1 3.52Å; R132-V166 HydrophobicContact CB-CB 4.37Å; R132-V166 HydrophobicContact CB-CG2 4.26Å; R132-V166 HydrophobicContact CG-CB 4.48Å; R132-V166 WeakPolarHBondContact O-CG2 3.27Å |
| 133 | E | 96.4 | Very high | 94.3 | Very high | 114 Ų | 114 | 69 Ų | 69 | 53% | 0.533 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -67.1 | -39.9 | -179.7 | -67 | -53.5 | 129.9 | 0 | 0 | 112.1 | Q130 K136 S137 | Q130-E133 PolarHBondContact O-N 2.85Å; Q130-E133 VanDerWaalsContact O-N 3.08Å; E133-K136 PolarHBondContact O-N 3.37Å; E133-S137 VanDerWaalsContact O-CB 3.27Å; E133-S137 WeakPolarHBondContact O-CB 3.38Å; E133-S137 PolarHBondContact O-N 2.77Å |
| 134 | E | 96.6 | Very high | 94.1 | Very high | 96 Ų | 96 | 67.3 Ų | 67.3 | 45% | 0.449 | 36% | 0.362 | S | S | . | . | H | α-helix | trans | -62.2 | -49.3 | 175.5 | -71.1 | 176.2 | 178.1 | 0 | 0 | 111.8 | Q130 K136 S137 W138 | Q130-E134 HydrophobicContact CG-CG 4.32Å; Q130-E134 WeakPolarHBondContact CG-OE1 3.48Å; Q130-E134 PolarHBondContact NE2-OE1 2.86Å; Q130-E134 WeakPolarHBondContact O-CG 3.49Å; Q130-E134 PolarHBondContact O-N 3.32Å; E134-K136 PolarHBondContact O-N 3.43Å; E134-S137 PolarHBondContact O-N 3.39Å; E134-W138 VanDerWaalsContact O-CB 3.26Å; E134-W138 WeakPolarHBondContact O-CB 3.45Å; E134-W138 PolarHBondContact O-N 2.88Å |
| 135 | L | 97.2 | Very high | 93.8 | Very high | 3 Ų | 3 | 68.6 Ų | 68.6 | 2% | 0.016 | 38% | 0.375 | C | S | . | . | H | α-helix | trans | -62.1 | -44.1 | 178.8 | 178.3 | 58.9 | 0 | 0 | 0 | 111.4 | F116 F122 Y131 R132 W138 V139 F153 M159 V166 L167 | F116-L135 HydrophobicContact CE1-CD1 4.28Å; F116-L135 HydrophobicContact CE2-CD1 4.32Å; F116-L135 HydrophobicContact CZ-CD1 4.06Å; F122-L135 HydrophobicContact CZ-CD1 4.45Å; F122-L135 HydrophobicContact CZ-CD2 4.47Å; Y131-L135 WeakPolarHBondContact O-CB 3.36Å; Y131-L135 PolarHBondContact O-N 3.46Å; R132-L135 PolarHBondContact O-N 3.44Å; L135-W138 PolarHBondContact O-N 3.27Å; L135-V139 HydrophobicContact CD1-CG2 3.96Å; L135-V139 WeakPolarHBondContact O-CB 3.13Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.93Å; L135-F153 HydrophobicContact CD1-CE1 3.98Å; L135-F153 HydrophobicContact CD1-CZ 4.18Å; L135-F153 HydrophobicContact CD2-CE1 4.21Å; L135-M159 HydrophobicContact CD2-CE 4.32Å; L135-V166 HydrophobicContact CB-CG1 4.23Å; L135-V166 HydrophobicContact CD2-CG1 3.82Å; L135-V166 HydrophobicContact CG-CG1 4.04Å; L135-L167 HydrophobicContact CD1-CD2 4.5Å; L135-L167 HydrophobicContact CD2-CD2 4.16Å; L135-L167 HydrophobicContact CD2-CG 4.4Å; L135-L167 HydrophobicContact CG-CD2 4.06Å |
| 136 | K | 95.3 | Very high | 93.9 | Very high | 88 Ų | 88 | 64.8 Ų | 64.8 | 38% | 0.383 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -59.2 | -48.5 | 176.4 | -171.9 | -178.8 | -179.2 | 179.6 | 0 | 111.9 | R132 E133 E134 W138 K140 V166 F170 | R132-K136 VanDerWaalsContact O-CB 3.25Å; R132-K136 WeakPolarHBondContact O-CB 3.48Å; R132-K136 PolarHBondContact O-N 3.04Å; E133-K136 PolarHBondContact O-N 3.37Å; E134-K136 PolarHBondContact O-N 3.43Å; K136-W138 VanDerWaalsContact C-N 3.34Å; K136-K140 VanDerWaalsContact O-CB 3.24Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.12Å; K136-V166 HydrophobicContact CB-CG2 3.65Å; K136-V166 HydrophobicContact CD-CG2 3.87Å; K136-V166 HydrophobicContact CG-CG2 4.01Å; K136-F170 HydrophobicContact CG-CE2 4.11Å; K136-F170 HydrophobicContact CG-CZ 4.1Å |
| 137 | S | 95.2 | Very high | 93.8 | Very high | 83 Ų | 83 | 57 Ų | 57 | 58% | 0.58 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -63.3 | -43.5 | 179.2 | -172.3 | 0 | 0 | 0 | 0 | 110.9 | E133 E134 K140 G141 | E133-S137 VanDerWaalsContact O-CB 3.27Å; E133-S137 WeakPolarHBondContact O-CB 3.38Å; E133-S137 PolarHBondContact O-N 2.77Å; E134-S137 PolarHBondContact O-N 3.39Å; S137-K140 PolarHBondContact O-N 2.79Å; S137-G141 PolarHBondContact O-N 3.41Å |
| 138 | W | 96.6 | Very high | 93.6 | Very high | 135 Ų | 135 | 54.3 Ų | 54.3 | 51% | 0.511 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -61.4 | -50.7 | 178.3 | -174.6 | -85 | 0 | 0 | 0 | 112.6 | H114 F116 E134 L135 K136 G141 N142 | H114-W138 AromaticContact ND1-NE1 3.86Å; F116-W138 AromaticContact CZ-CD1 3.58Å; F116-W138 HydrophobicContact CZ-CG 4.35Å; F116-W138 AromaticContact CZ-NE1 3.69Å; E134-W138 VanDerWaalsContact O-CB 3.26Å; E134-W138 WeakPolarHBondContact O-CB 3.45Å; E134-W138 PolarHBondContact O-N 2.88Å; L135-W138 PolarHBondContact O-N 3.27Å; K136-W138 VanDerWaalsContact C-N 3.34Å; W138-G141 PolarHBondContact O-N 2.98Å; W138-N142 VanDerWaalsContact CD1-ND2 3.34Å; W138-N142 VanDerWaalsContact CE2-ND2 3.34Å; W138-N142 PolarHBondContact NE1-ND2 3.29Å; W138-N142 VanDerWaalsContact NE1-ND2 3.11Å; W138-N142 PolarHBondContact O-N 2.88Å; W138-N142 PolarHBondContact O-ND2 2.98Å |
| 139 | V | 95.2 | Very high | 93.7 | Very high | 0 Ų | 0 | 53.1 Ų | 53.1 | 0% | 0 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -62.6 | -47.6 | 179.3 | 170.1 | 0 | 0 | 0 | 0 | 110.1 | L135 G141 N142 L143 F151 L167 F170 | L135-V139 HydrophobicContact CD1-CG2 3.96Å; L135-V139 WeakPolarHBondContact O-CB 3.13Å; L135-V139 WeakPolarHBondContact O-CG2 3.33Å; L135-V139 PolarHBondContact O-N 2.93Å; V139-G141 VanDerWaalsContact C-N 3.34Å; V139-G141 PolarHBondContact O-N 3.27Å; V139-N142 PolarHBondContact O-N 3.21Å; V139-L143 HydrophobicContact CG1-CD1 3.64Å; V139-L143 HydrophobicContact CG1-CG 4.18Å; V139-L143 VanDerWaalsContact O-CB 3.29Å; V139-L143 WeakPolarHBondContact O-CB 3.36Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.17Å; V139-L143 PolarHBondContact O-N 3.04Å; V139-F151 HydrophobicContact CB-CE1 4.44Å; V139-F151 HydrophobicContact CB-CZ 4.42Å; V139-F151 HydrophobicContact CG1-CE2 4.27Å; V139-F151 HydrophobicContact CG1-CZ 4.09Å; V139-F151 HydrophobicContact CG2-CD1 4.18Å; V139-F151 HydrophobicContact CG2-CE1 3.97Å; V139-F151 HydrophobicContact CG2-CZ 4.37Å; V139-L167 HydrophobicContact CB-CD2 4.42Å; V139-L167 HydrophobicContact CG1-CD2 4.47Å; V139-L167 HydrophobicContact CG2-CD2 3.82Å; V139-F170 HydrophobicContact CB-CD2 4.46Å; V139-F170 HydrophobicContact CB-CE2 4.35Å; V139-F170 HydrophobicContact CG1-CB 4.43Å; V139-F170 HydrophobicContact CG1-CD1 4.37Å; V139-F170 HydrophobicContact CG1-CD2 3.76Å; V139-F170 HydrophobicContact CG1-CE2 4.07Å; V139-F170 HydrophobicContact CG1-CG 3.94Å; V139-F170 HydrophobicContact CG1-CZ 4.49Å |
| 140 | K | 92.8 | Very high | 93.8 | Very high | 93 Ų | 93 | 49.5 Ų | 49.5 | 40% | 0.404 | 26% | 0.257 | S | S | . | . | H | α-helix | trans | -58.4 | -44.5 | 176.7 | -176.8 | -178.7 | 176.6 | -176.2 | 0 | 112.4 | K136 S137 T144 F170 | K136-K140 VanDerWaalsContact O-CB 3.24Å; K136-K140 WeakPolarHBondContact O-CB 3.24Å; K136-K140 PolarHBondContact O-N 3.12Å; S137-K140 PolarHBondContact O-N 2.79Å; K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.33Å; K140-T144 PolarHBondContact O-OG1 3.29Å; K140-F170 HydrophobicContact CB-CE1 4.13Å; K140-F170 HydrophobicContact CB-CZ 4.03Å |
| 141 | G | 91.8 | Very high | 93.8 | Very high | 42 Ų | 42 | 44.9 Ų | 44.9 | 43% | 0.433 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -62.4 | -48.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | S137 W138 V139 T144 A145 | S137-G141 PolarHBondContact O-N 3.41Å; W138-G141 PolarHBondContact O-N 2.98Å; V139-G141 VanDerWaalsContact C-N 3.34Å; V139-G141 PolarHBondContact O-N 3.27Å; G141-T144 WeakPolarHBondContact O-CB 3.45Å; G141-T144 PolarHBondContact O-N 2.99Å; G141-A145 PolarHBondContact O-N 2.89Å |
| 142 | N | 93 | Very high | 93.9 | Very high | 29 Ų | 29 | 44 Ų | 44 | 16% | 0.155 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -68.9 | -39.2 | 179.6 | -76.2 | -72.7 | 0 | 0 | 0 | 112.4 | H114 W138 V139 T144 A145 C146 F151 | H114-N142 PolarHBondContact CE1-OD1 3.46Å; H114-N142 PolarHBondContact NE2-OD1 3.06Å; W138-N142 VanDerWaalsContact CD1-ND2 3.34Å; W138-N142 VanDerWaalsContact CE2-ND2 3.34Å; W138-N142 PolarHBondContact NE1-ND2 3.29Å; W138-N142 VanDerWaalsContact NE1-ND2 3.11Å; W138-N142 PolarHBondContact O-N 2.88Å; W138-N142 PolarHBondContact O-ND2 2.98Å; V139-N142 PolarHBondContact O-N 3.21Å; N142-T144 VanDerWaalsContact C-N 3.26Å; N142-T144 PolarHBondContact O-N 3.37Å; N142-A145 CarbonylContact O-C 3.55Å; N142-A145 PolarHBondContact O-N 3.25Å; N142-A145 VanDerWaalsContact O-N 3.11Å; N142-C146 PolarHBondContact O-N 3.13Å; N142-F151 HydrophobicContact CB-CE1 4.24Å; N142-F151 HydrophobicContact CB-CZ 4.06Å |
| 143 | L | 90.6 | Very high | 94 | Very high | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.218 | C | C | . | . | H | α-helix | trans | -63.6 | -32.3 | 173.4 | -74.2 | 175.7 | 0 | 0 | 0 | 112.8 | V139 C146 A147 F151 F170 T180 Y182 A185 | V139-L143 HydrophobicContact CG1-CD1 3.64Å; V139-L143 HydrophobicContact CG1-CG 4.18Å; V139-L143 VanDerWaalsContact O-CB 3.29Å; V139-L143 WeakPolarHBondContact O-CB 3.36Å; V139-L143 VanDerWaalsContact O-CG 3.23Å; V139-L143 WeakPolarHBondContact O-CG 3.17Å; V139-L143 PolarHBondContact O-N 3.04Å; L143-C146 WeakPolarHBondContact CA-O 3.38Å; L143-C146 CarbonylContact O-C 3.45Å; L143-C146 VanDerWaalsContact O-C 3.28Å; L143-A147 PolarHBondContact O-N 3.48Å; L143-F151 HydrophobicContact CD2-CE2 3.78Å; L143-F151 HydrophobicContact CD2-CZ 4.3Å; L143-F151 HydrophobicContact CG-CE2 3.98Å; L143-F151 HydrophobicContact CG-CZ 4.11Å; L143-F170 HydrophobicContact CD1-CB 4.35Å; L143-F170 HydrophobicContact CD1-CD1 3.88Å; L143-F170 HydrophobicContact CD1-CG 4.27Å; L143-T180 WeakPolarHBondContact O-CG2 3.44Å; L143-Y182 HydrophobicContact CB-CD1 3.61Å; L143-Y182 HydrophobicContact CB-CD2 4.46Å; L143-Y182 HydrophobicContact CB-CE1 3.56Å; L143-Y182 HydrophobicContact CB-CE2 4.41Å; L143-Y182 HydrophobicContact CB-CG 4.08Å; L143-Y182 HydrophobicContact CD1-CD1 4.26Å; L143-Y182 HydrophobicContact CD1-CD2 3.92Å; L143-Y182 HydrophobicContact CD1-CE2 4.37Å; L143-Y182 HydrophobicContact CD1-CG 3.86Å; L143-Y182 HydrophobicContact CG-CD1 4.4Å; L143-Y182 HydrophobicContact CG-CG 4.46Å; L143-A185 HydrophobicContact CD2-CB 3.51Å |
| 144 | T | 88.4 | Confident | 94 | Very high | 57 Ų | 57 | 35.7 Ų | 35.7 | 35% | 0.35 | 20% | 0.198 | S | C | . | . | H | α-helix | trans | -71.9 | -33.7 | 174 | -54.8 | 0 | 0 | 0 | 0 | 111.5 | K140 G141 N142 Y182 | K140-T144 WeakPolarHBondContact O-CB 3.28Å; K140-T144 PolarHBondContact O-N 3.33Å; K140-T144 PolarHBondContact O-OG1 3.29Å; G141-T144 WeakPolarHBondContact O-CB 3.45Å; G141-T144 PolarHBondContact O-N 2.99Å; N142-T144 VanDerWaalsContact C-N 3.26Å; N142-T144 PolarHBondContact O-N 3.37Å; T144-Y182 PolarHBondContact OG1-OH 2.68Å |
| 145 | A | 87.9 | Confident | 93.8 | Very high | 64 Ų | 64 | 33.4 Ų | 33.4 | 53% | 0.529 | 19% | 0.187 | S | C | . | . | H | α-helix | trans | -73.9 | -36.5 | 173.8 | 0 | 0 | 0 | 0 | 0 | 112 | G141 N142 | G141-A145 PolarHBondContact O-N 2.89Å; N142-A145 CarbonylContact O-C 3.55Å; N142-A145 PolarHBondContact O-N 3.25Å; N142-A145 VanDerWaalsContact O-N 3.11Å |
| 146 | C | 89.2 | Confident | 93.6 | Very high | 2 Ų | 2 | 33.2 Ų | 33.2 | 1% | 0.014 | 19% | 0.186 | C | C | . | . | trans | -151.2 | 116.4 | 179.8 | -164 | 0 | 0 | 0 | 0 | 113.3 | C36 F112 N142 L143 R148 S149 | C36-C146 HydrophobicContact CB-CB 3.75Å; C36-C146 WeakPolarHBondContact CB-SG 3.02Å; C36-C146 WeakPolarHBondContact SG-CA 3.36Å; C36-C146 WeakPolarHBondContact SG-CB 3.39Å; C36-C146 CovalentContact SG-SG 2.02Å; C36-C146 PolarHBondContact SG-SG 3.32Å; F112-C146 HydrophobicContact CB-CB 4.47Å; F112-C146 HydrophobicContact CD1-CB 3.3Å; F112-C146 HydrophobicContact CE1-CB 3.65Å; F112-C146 HydrophobicContact CG-CB 3.96Å; N142-C146 PolarHBondContact O-N 3.13Å; L143-C146 WeakPolarHBondContact CA-O 3.38Å; L143-C146 CarbonylContact O-C 3.45Å; L143-C146 VanDerWaalsContact O-C 3.28Å; C146-R148 PolarHBondContact O-N 3.24Å; C146-S149 PolarHBondContact O-N 2.96Å; C146-S149 PolarHBondContact O-OG 2.99Å | ||
| 147 | A | 89.3 | Confident | 93.3 | Very high | 18 Ų | 18 | 31 Ų | 31 | 15% | 0.149 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -61.2 | -27 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114 | L143 T180 N181 K184 A185 | L143-A147 PolarHBondContact O-N 3.48Å; A147-T180 HydrophobicContact CB-CG2 3.64Å; A147-N181 WeakPolarHBondContact CB-O 3.27Å; A147-K184 HydrophobicContact CB-CB 4.17Å; A147-K184 HydrophobicContact CB-CD 4.43Å; A147-K184 CarbonylContact O-C 3.58Å; A147-K184 WeakPolarHBondContact O-CB 3.04Å; A147-A185 WeakPolarHBondContact O-CA 3.36Å; A147-A185 PolarHBondContact O-N 3.19Å |
| 148 | R | 92.4 | Very high | 93.2 | Very high | 16 Ų | 16 | 31.9 Ų | 31.9 | 6% | 0.06 | 17% | 0.171 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.2 | 6.5 | -174.7 | -74.2 | -76.1 | -177.8 | -162.1 | 9 | 113.6 | F38 Y104 C146 K184 | F38-R148 HydrophobicContact CB-CB 4.45Å; F38-R148 HydrophobicContact CD1-CB 4.48Å; F38-R148 HydrophobicContact CD1-CG 4.09Å; F38-R148 HydrophobicContact CD2-CB 3.97Å; F38-R148 HydrophobicContact CD2-CG 4.41Å; F38-R148 HydrophobicContact CE1-CG 4.3Å; F38-R148 HydrophobicContact CE2-CB 4.36Å; F38-R148 HydrophobicContact CG-CB 4.04Å; F38-R148 HydrophobicContact CG-CG 4.17Å; Y104-R148 PolarHBondContact OH-O 2.94Å; C146-R148 PolarHBondContact O-N 3.24Å; R148-K184 WeakPolarHBondContact CD-O 3.48Å; R148-K184 HydrophobicContact CG-CB 4.29Å; R148-K184 PolarHBondContact NH1-O 3.09Å |
| 149 | S | 94.6 | Very high | 93 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 15% | 0.149 | C | C | . | . | trans | -50.4 | 143.3 | 180 | -76.1 | 0 | 0 | 0 | 0 | 113.2 | F112 C146 A185 I186 | F112-S149 CarbonylContact O-C 3.57Å; F112-S149 WeakPolarHBondContact O-CA 3.42Å; C146-S149 PolarHBondContact O-N 2.96Å; C146-S149 PolarHBondContact O-OG 2.99Å; S149-A185 WeakPolarHBondContact O-CA 3.42Å; S149-I186 PolarHBondContact O-N 3.41Å; S149-I186 VanDerWaalsContact O-N 3.12Å | ||
| 150 | V | 97.2 | Very high | 92.8 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.3 | 127.1 | 177.6 | -180 | 0 | 0 | 0 | 0 | 108.8 | L103 Y104 F112 V113 H114 I152 I186 | L103-V150 HydrophobicContact CD1-CG2 3.78Å; Y104-V150 HydrophobicContact CE2-CG2 3.7Å; F112-V150 PolarHBondContact O-N 3.47Å; V113-V150 HydrophobicContact CG2-CB 4.44Å; H114-V150 PolarHBondContact N-O 2.89Å; V150-I152 HydrophobicContact CG1-CD1 4.48Å; V150-I152 HydrophobicContact CG1-CG1 4.1Å; V150-I186 CarbonylContact C-O 3.57Å; V150-I186 WeakPolarHBondContact CA-O 3.43Å; V150-I186 HydrophobicContact CG1-CB 4.48Å; V150-I186 HydrophobicContact CG2-CB 4.17Å; V150-I186 HydrophobicContact CG2-CD1 4.44Å |
| 151 | F | 98.1 | Very high | 92.5 | Very high | 0 Ų | 0 | 26.7 Ų | 26.7 | 0% | 0 | 17% | 0.171 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -116.7 | 117 | 177 | -57.3 | -83.8 | 0 | 0 | 0 | 110.1 | H114 F116 V139 N142 L143 F153 I186 Y187 V188 | H114-F151 HydrophobicContact CB-CD1 3.81Å; H114-F151 HydrophobicContact CB-CE1 4.23Å; H114-F151 AromaticContact CD2-CD1 3.68Å; H114-F151 AromaticContact CD2-CE1 3.36Å; H114-F151 WeakPolarHBondContact CD2-CE1 3.3Å; H114-F151 AromaticContact CD2-CZ 3.98Å; H114-F151 AromaticContact CG-CE1 3.93Å; H114-F151 CarbonylContact O-C 3.36Å; H114-F151 WeakPolarHBondContact O-CA 3.41Å; F116-F151 HydrophobicContact CE2-CD1 4.15Å; V139-F151 HydrophobicContact CB-CE1 4.44Å; V139-F151 HydrophobicContact CB-CZ 4.42Å; V139-F151 HydrophobicContact CG1-CE2 4.27Å; V139-F151 HydrophobicContact CG1-CZ 4.09Å; V139-F151 HydrophobicContact CG2-CD1 4.18Å; V139-F151 HydrophobicContact CG2-CE1 3.97Å; V139-F151 HydrophobicContact CG2-CZ 4.37Å; N142-F151 HydrophobicContact CB-CE1 4.24Å; N142-F151 HydrophobicContact CB-CZ 4.06Å; L143-F151 HydrophobicContact CD2-CE2 3.78Å; L143-F151 HydrophobicContact CD2-CZ 4.3Å; L143-F151 HydrophobicContact CG-CE2 3.98Å; L143-F151 HydrophobicContact CG-CZ 4.11Å; F151-F153 HydrophobicContact CB-CD2 4.48Å; F151-F153 HydrophobicContact CB-CE2 3.69Å; F151-F153 HydrophobicContact CB-CZ 4.33Å; F151-I186 PolarHBondContact N-O 3.2Å; F151-Y187 HydrophobicContact CB-CD1 3.81Å; F151-Y187 HydrophobicContact CB-CE1 4Å; F151-Y187 HydrophobicContact CD2-CD1 4.03Å; F151-Y187 AromaticContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE1 3.5Å; F151-Y187 VanDerWaalsContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE2 4.47Å; F151-Y187 AromaticContact CD2-CZ 3.75Å; F151-Y187 HydrophobicContact CE2-CE1 4.25Å; F151-Y187 HydrophobicContact CG-CD1 4.27Å; F151-Y187 AromaticContact CG-CE1 3.96Å; F151-Y187 HydrophobicContact CG-CE1 3.96Å; F151-Y187 CarbonylContact O-C 3.53Å; F151-Y187 WeakPolarHBondContact O-CA 2.95Å; F151-V188 PolarHBondContact O-N 3.3Å |
| 152 | I | 98.5 | Very high | 92.2 | Very high | 0 Ų | 0 | 25.6 Ų | 25.6 | 0% | 0 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.8 | 121.9 | 179.7 | -57.5 | 165.7 | 0 | 0 | 0 | 107.7 | M108 V113 H114 Q115 F116 V150 V188 I190 | M108-I152 HydrophobicContact CE-CD1 3.95Å; M108-I152 HydrophobicContact SD-CD1 4.41Å; V113-I152 HydrophobicContact CG1-CD1 4.19Å; H114-I152 PolarHBondContact O-N 3.18Å; Q115-I152 CarbonylContact C-O 3.54Å; Q115-I152 WeakPolarHBondContact CA-O 3.14Å; Q115-I152 HydrophobicContact CB-CB 4.42Å; Q115-I152 HydrophobicContact CG-CB 4.32Å; Q115-I152 HydrophobicContact CG-CG2 4.28Å; F116-I152 PolarHBondContact N-O 3.41Å; V150-I152 HydrophobicContact CG1-CD1 4.48Å; V150-I152 HydrophobicContact CG1-CG1 4.1Å; I152-V188 CarbonylContact C-O 3.58Å; I152-V188 WeakPolarHBondContact CA-O 3.33Å; I152-V188 HydrophobicContact CG1-CB 4.27Å; I152-I190 HydrophobicContact CG2-CD1 3.89Å |
| 153 | F | 97.3 | Very high | 92.2 | Very high | 1 Ų | 1 | 24.2 Ų | 24.2 | 0% | 0.004 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.4 | 105.1 | 173.4 | -60.3 | -97.8 | 0 | 0 | 0 | 108.3 | F116 L135 F151 M156 I164 L167 Y187 V188 F189 I190 | F116-F153 HydrophobicContact CB-CD1 3.79Å; F116-F153 HydrophobicContact CB-CE1 4.1Å; F116-F153 HydrophobicContact CB-CG 4.5Å; F116-F153 AromaticContact CD2-CD1 3.97Å; F116-F153 HydrophobicContact CD2-CD1 3.97Å; F116-F153 AromaticContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE1 3.54Å; F116-F153 HydrophobicContact CD2-CE2 4.44Å; F116-F153 AromaticContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CD2-CZ 3.8Å; F116-F153 HydrophobicContact CE2-CE1 4.17Å; F116-F153 HydrophobicContact CE2-CZ 4.11Å; F116-F153 HydrophobicContact CG-CD1 4.13Å; F116-F153 AromaticContact CG-CE1 3.92Å; F116-F153 HydrophobicContact CG-CE1 3.92Å; L135-F153 HydrophobicContact CD1-CE1 3.98Å; L135-F153 HydrophobicContact CD1-CZ 4.18Å; L135-F153 HydrophobicContact CD2-CE1 4.21Å; F151-F153 HydrophobicContact CB-CD2 4.48Å; F151-F153 HydrophobicContact CB-CE2 3.69Å; F151-F153 HydrophobicContact CB-CZ 4.33Å; F153-M156 HydrophobicContact CB-CG 4.29Å; F153-M156 HydrophobicContact CB-SD 3.49Å; F153-M156 WeakPolarHBondContact CB-SD 3.5Å; F153-M156 HydrophobicContact CG-SD 4.39Å; F153-I164 HydrophobicContact CD1-CD1 4.05Å; F153-I164 HydrophobicContact CE1-CD1 4.19Å; F153-I164 HydrophobicContact CG-CD1 4.3Å; F153-L167 HydrophobicContact CE1-CD1 4.16Å; F153-L167 HydrophobicContact CE2-CD1 3.75Å; F153-L167 HydrophobicContact CZ-CD1 3.49Å; F153-L167 VanDerWaalsContact CZ-CD1 3.49Å; F153-Y187 HydrophobicContact CE2-CD1 4.2Å; F153-V188 PolarHBondContact N-O 3.17Å; F153-F189 HydrophobicContact CB-CD1 4.01Å; F153-F189 AromaticContact CD2-CD1 3.71Å; F153-F189 HydrophobicContact CD2-CD1 3.71Å; F153-F189 AromaticContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CE2-CE1 4.02Å; F153-F189 HydrophobicContact CG-CD1 4.15Å; F153-F189 HydrophobicContact CG-CE1 4.21Å; F153-I190 PolarHBondContact O-N 3.28Å |
| 154 | D | 96 | Very high | 92.3 | Very high | 22 Ų | 22 | 24.2 Ų | 24.2 | 12% | 0.118 | 15% | 0.152 | C | C | . | . | trans | -85.4 | 162.1 | 178.6 | -149.8 | -14.8 | 0 | 0 | 0 | 111.6 | T93 F116 V117 P118 M156 I190 | T93-D154 PolarHBondContact OG1-OD2 3.18Å; F116-D154 PolarHBondContact O-N 3.01Å; V117-D154 HydrophobicContact CG2-CB 4.34Å; P118-D154 WeakPolarHBondContact CD-O 3.37Å; P118-D154 WeakPolarHBondContact CG-O 3.39Å; D154-M156 VanDerWaalsContact C-N 3.3Å; D154-M156 PolarHBondContact O-N 3.48Å; D154-I190 WeakPolarHBondContact OD1-CG2 3.48Å | ||
| 155 | E | 93.4 | Very high | 92.4 | Very high | 48 Ų | 48 | 23.2 Ų | 23.2 | 22% | 0.224 | 15% | 0.145 | C | C | . | . | trans | 46.3 | 47.7 | 176.9 | -53.2 | -166.6 | 140.5 | 0 | 0 | 114 | T119 E157 K158 I190 | T119-E155 PolarHBondContact OG1-OE2 3.08Å; E155-E157 PolarHBondContact O-N 3.29Å; E155-K158 HydrophobicContact CB-CD 4.31Å; E155-K158 HydrophobicContact CB-CG 4.42Å; E155-K158 WeakPolarHBondContact O-CB 3.27Å; E155-K158 PolarHBondContact O-N 3.39Å; E155-K158 IonicContact OE1-NZ 2.96Å; E155-K158 PolarHBondContact OE1-NZ 3.22Å; E155-K158 WeakPolarHBondContact OE2-CD 3.4Å; E155-K158 WeakPolarHBondContact OE2-CE 3.13Å; E155-K158 IonicContact OE2-NZ 2.74Å; E155-K158 PolarHBondContact OE2-NZ 3.25Å; E155-I190 PolarHBondContact N-O 3.25Å | ||
| 156 | M | 92.9 | Very high | 92.7 | Very high | 0 Ų | 0 | 20.7 Ų | 20.7 | 0% | 0 | 12% | 0.123 | C | C | . | . | G | 310 helix | trans | -58.4 | -21 | -175.4 | -76 | -66.7 | -67.1 | 0 | 0 | 114.3 | F153 D154 K158 M159 I164 F189 I190 G235 L236 | F153-M156 HydrophobicContact CB-CG 4.29Å; F153-M156 HydrophobicContact CB-SD 3.49Å; F153-M156 WeakPolarHBondContact CB-SD 3.5Å; F153-M156 HydrophobicContact CG-SD 4.39Å; D154-M156 VanDerWaalsContact C-N 3.3Å; D154-M156 PolarHBondContact O-N 3.48Å; M156-K158 PolarHBondContact O-N 2.98Å; M156-M159 HydrophobicContact CE-CB 4.5Å; M156-M159 HydrophobicContact CE-CG 4.38Å; M156-M159 VanDerWaalsContact O-CB 3.26Å; M156-M159 WeakPolarHBondContact O-CB 3.33Å; M156-M159 PolarHBondContact O-N 3.15Å; M156-M159 HydrophobicContact SD-CB 4.31Å; M156-M159 HydrophobicContact SD-CG 4.38Å; M156-I164 HydrophobicContact CE-CB 4.32Å; M156-I164 HydrophobicContact CE-CD1 3.87Å; M156-I164 HydrophobicContact CE-CG1 3.85Å; M156-I164 HydrophobicContact SD-CD1 4.37Å; M156-F189 HydrophobicContact CG-CB 4.17Å; M156-I190 WeakPolarHBondContact CB-O 3.43Å; M156-I190 WeakPolarHBondContact CG-O 3.4Å; M156-I190 PolarHBondContact N-O 3.2Å; M156-G235 WeakPolarHBondContact O-CA 3.38Å; M156-G235 PolarHBondContact O-N 3.32Å; M156-L236 HydrophobicContact CE-CD2 3.89Å; M156-L236 HydrophobicContact CE-CG 3.88Å |
| 157 | E | 89.9 | Confident | 92.9 | Very high | 41 Ų | 41 | 20.6 Ų | 20.6 | 19% | 0.192 | 12% | 0.122 | C | C | . | . | G | 310 helix | trans | -68.3 | -8.2 | 169.6 | 62.4 | -90.5 | -155.6 | 0 | 0 | 114.9 | E155 S191 T192 T233 | E155-E157 PolarHBondContact O-N 3.29Å; E157-S191 WeakPolarHBondContact OE2-CA 3.45Å; E157-S191 WeakPolarHBondContact OE2-CB 3.44Å; E157-S191 PolarHBondContact OE2-OG 3.08Å; E157-T192 WeakPolarHBondContact OE1-CB 3.46Å; E157-T192 VanDerWaalsContact OE1-CG2 3.29Å; E157-T192 WeakPolarHBondContact OE1-CG2 3.49Å; E157-T192 PolarHBondContact OE1-N 2.9Å; E157-T192 PolarHBondContact OE1-OG1 2.83Å; E157-T192 PolarHBondContact OE2-N 3.11Å; E157-T233 CarbonylContact C-O 3.19Å; E157-T233 WeakPolarHBondContact CA-O 3.33Å |
| 158 | K | 92 | Very high | 93 | Very high | 102 Ų | 102 | 22.8 Ų | 22.8 | 44% | 0.443 | 13% | 0.129 | S | C | . | . | G | 310 helix | trans | -109.7 | 2.8 | 173.4 | -55.4 | -175.1 | -166.1 | 161.7 | 0 | 112.1 | P118 T119 E155 M156 | P118-K158 HydrophobicContact CB-CB 4.34Å; P118-K158 WeakPolarHBondContact CB-O 3.17Å; T119-K158 HydrophobicContact CG2-CB 4.15Å; T119-K158 HydrophobicContact CG2-CD 3.31Å; T119-K158 HydrophobicContact CG2-CG 4.37Å; E155-K158 HydrophobicContact CB-CD 4.31Å; E155-K158 HydrophobicContact CB-CG 4.42Å; E155-K158 WeakPolarHBondContact O-CB 3.27Å; E155-K158 PolarHBondContact O-N 3.39Å; E155-K158 IonicContact OE1-NZ 2.96Å; E155-K158 PolarHBondContact OE1-NZ 3.22Å; E155-K158 WeakPolarHBondContact OE2-CD 3.4Å; E155-K158 WeakPolarHBondContact OE2-CE 3.13Å; E155-K158 IonicContact OE2-NZ 2.74Å; E155-K158 PolarHBondContact OE2-NZ 3.25Å; M156-K158 PolarHBondContact O-N 2.98Å |
| 159 | M | 92.3 | Very high | 92.8 | Very high | 9 Ų | 9 | 24.7 Ų | 24.7 | 4% | 0.044 | 14% | 0.144 | C | C | . | . | S | Bend | trans | -72.7 | 128.1 | 178.7 | -173.7 | 69.2 | 164.4 | 0 | 0 | 109.8 | P118 F122 L135 M156 A161 L163 I164 | P118-M159 HydrophobicContact CB-CB 4.4Å; P118-M159 HydrophobicContact CB-SD 4.18Å; P118-M159 HydrophobicContact CG-CB 4Å; P118-M159 HydrophobicContact CG-SD 3.84Å; F122-M159 HydrophobicContact CD2-CE 4.06Å; F122-M159 HydrophobicContact CD2-SD 3.63Å; F122-M159 HydrophobicContact CE2-CE 3.87Å; F122-M159 HydrophobicContact CE2-SD 3.94Å; L135-M159 HydrophobicContact CD2-CE 4.32Å; M156-M159 HydrophobicContact CE-CB 4.5Å; M156-M159 HydrophobicContact CE-CG 4.38Å; M156-M159 VanDerWaalsContact O-CB 3.26Å; M156-M159 WeakPolarHBondContact O-CB 3.33Å; M156-M159 PolarHBondContact O-N 3.15Å; M156-M159 HydrophobicContact SD-CB 4.31Å; M156-M159 HydrophobicContact SD-CG 4.38Å; M159-A161 PolarHBondContact O-N 3.15Å; M159-L163 HydrophobicContact CE-CB 3.95Å; M159-L163 HydrophobicContact CE-CD2 3.43Å; M159-L163 VanDerWaalsContact CE-CD2 3.43Å; M159-L163 HydrophobicContact CE-CG 3.48Å; M159-L163 VanDerWaalsContact CE-CG 3.48Å; M159-L163 HydrophobicContact SD-CD2 3.79Å; M159-L163 HydrophobicContact SD-CG 4.38Å; M159-I164 HydrophobicContact CE-CB 4.27Å; M159-I164 HydrophobicContact CE-CD1 3.85Å |
| 160 | P | 90.7 | Very high | 92.7 | Very high | 19 Ų | 19 | 25.4 Ų | 25.4 | 12% | 0.123 | 15% | 0.147 | C | C | . | . | P | Polyproline II helix | trans | -56.5 | 137.2 | 177 | -26.2 | 33.8 | 0 | 0 | 0 | 112.6 | F122 V128 G162 L163 | F122-P160 HydrophobicContact CB-CG 4.09Å; V128-P160 HydrophobicContact CG2-CB 3.46Å; V128-P160 VanDerWaalsContact CG2-CB 3.46Å; V128-P160 HydrophobicContact CG2-CG 4.19Å; P160-G162 PolarHBondContact O-N 3.12Å; P160-L163 HydrophobicContact CB-CB 4.31Å; P160-L163 HydrophobicContact CG-CD2 4.22Å; P160-L163 VanDerWaalsContact O-CB 3.27Å; P160-L163 WeakPolarHBondContact O-CB 3.49Å; P160-L163 PolarHBondContact O-N 2.9Å; P160-L163 VanDerWaalsContact O-N 3.13Å |
| 161 | A | 87.2 | Confident | 92.4 | Very high | 90 Ų | 90 | 25.4 Ų | 25.4 | 74% | 0.744 | 15% | 0.147 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57 | 135.4 | -177.9 | 0 | 0 | 0 | 0 | 0 | 111.7 | M159 L163 | M159-A161 PolarHBondContact O-N 3.15Å; A161-L163 PolarHBondContact O-N 3.43Å |
| 162 | G | 86.1 | Confident | 91.6 | Very high | 20 Ų | 20 | 25.7 Ų | 25.7 | 21% | 0.206 | 15% | 0.15 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 75.4 | -10.2 | -179.5 | 0 | 0 | 0 | 0 | 0 | 115.4 | R132 P160 I164 D165 | R132-G162 VanDerWaalsContact CZ-O 3.26Å; R132-G162 PolarHBondContact NH1-O 3.3Å; P160-G162 PolarHBondContact O-N 3.12Å; G162-I164 PolarHBondContact O-N 3.07Å; G162-D165 WeakPolarHBondContact CA-OD2 3.49Å; G162-D165 PolarHBondContact O-N 2.93Å |
| 163 | L | 92.1 | Very high | 90.3 | Very high | 0 Ų | 0 | 30 Ų | 30 | 0% | 0 | 18% | 0.177 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -63.3 | -42.9 | 179.1 | 179.7 | 58.6 | 0 | 0 | 0 | 111.5 | F122 V128 R132 M159 P160 A161 D165 V166 | F122-L163 HydrophobicContact CB-CD2 3.8Å; F122-L163 HydrophobicContact CD1-CD2 3.78Å; F122-L163 HydrophobicContact CD2-CD2 3.55Å; F122-L163 HydrophobicContact CE1-CD2 4.25Å; F122-L163 HydrophobicContact CE2-CD2 4.05Å; F122-L163 HydrophobicContact CG-CD2 3.41Å; F122-L163 VanDerWaalsContact CG-CD2 3.41Å; F122-L163 HydrophobicContact CZ-CD2 4.38Å; V128-L163 HydrophobicContact CG1-CB 4.38Å; R132-L163 HydrophobicContact CB-CD1 4.21Å; R132-L163 HydrophobicContact CG-CD1 3.52Å; M159-L163 HydrophobicContact CE-CB 3.95Å; M159-L163 HydrophobicContact CE-CD2 3.43Å; M159-L163 VanDerWaalsContact CE-CD2 3.43Å; M159-L163 HydrophobicContact CE-CG 3.48Å; M159-L163 VanDerWaalsContact CE-CG 3.48Å; M159-L163 HydrophobicContact SD-CD2 3.79Å; M159-L163 HydrophobicContact SD-CG 4.38Å; P160-L163 HydrophobicContact CB-CB 4.31Å; P160-L163 HydrophobicContact CG-CD2 4.22Å; P160-L163 VanDerWaalsContact O-CB 3.27Å; P160-L163 WeakPolarHBondContact O-CB 3.49Å; P160-L163 PolarHBondContact O-N 2.9Å; P160-L163 VanDerWaalsContact O-N 3.13Å; A161-L163 PolarHBondContact O-N 3.43Å; L163-D165 VanDerWaalsContact C-N 3.27Å; L163-D165 PolarHBondContact O-N 3.39Å; L163-V166 VanDerWaalsContact O-CG1 3.31Å; L163-V166 WeakPolarHBondContact O-CG1 3.5Å; L163-V166 PolarHBondContact O-N 3.45Å |
| 164 | I | 92.8 | Very high | 88.7 | Confident | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 20% | 0.202 | C | C | . | . | G | 310 helix | trans | -68.9 | -23.5 | -176.1 | -158.7 | 72.9 | 0 | 0 | 0 | 113.1 | F153 M156 M159 G162 V166 L167 F189 G235 L236 I241 | F153-I164 HydrophobicContact CD1-CD1 4.05Å; F153-I164 HydrophobicContact CE1-CD1 4.19Å; F153-I164 HydrophobicContact CG-CD1 4.3Å; M156-I164 HydrophobicContact CE-CB 4.32Å; M156-I164 HydrophobicContact CE-CD1 3.87Å; M156-I164 HydrophobicContact CE-CG1 3.85Å; M156-I164 HydrophobicContact SD-CD1 4.37Å; M159-I164 HydrophobicContact CE-CB 4.27Å; M159-I164 HydrophobicContact CE-CD1 3.85Å; G162-I164 PolarHBondContact O-N 3.07Å; I164-V166 PolarHBondContact O-N 2.86Å; I164-L167 HydrophobicContact CD1-CD1 3.48Å; I164-L167 VanDerWaalsContact CD1-CD1 3.48Å; I164-L167 HydrophobicContact CD1-CG 4.3Å; I164-L167 HydrophobicContact CG1-CD1 4.11Å; I164-L167 WeakPolarHBondContact O-CB 3.29Å; I164-L167 WeakPolarHBondContact O-CG 3.46Å; I164-L167 PolarHBondContact O-N 3.17Å; I164-F189 HydrophobicContact CD1-CE1 4.14Å; I164-G235 VanDerWaalsContact CG2-O 3.25Å; I164-G235 WeakPolarHBondContact CG2-O 3.35Å; I164-L236 HydrophobicContact CG2-CD2 4.32Å; I164-I241 HydrophobicContact CB-CD1 4.38Å; I164-I241 HydrophobicContact CG1-CD1 3.65Å; I164-I241 HydrophobicContact CG2-CD1 4.1Å |
| 165 | D | 91.4 | Very high | 87.1 | Confident | 36 Ų | 36 | 35.7 Ų | 35.7 | 19% | 0.193 | 21% | 0.212 | C | C | . | . | G | 310 helix | trans | -60.2 | -22.1 | 179.6 | -69 | -36.6 | 0 | 0 | 0 | 112.9 | G162 L163 L167 E168 S239 S240 | G162-D165 WeakPolarHBondContact CA-OD2 3.49Å; G162-D165 PolarHBondContact O-N 2.93Å; L163-D165 VanDerWaalsContact C-N 3.27Å; L163-D165 PolarHBondContact O-N 3.39Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 VanDerWaalsContact O-N 3.07Å; D165-E168 VanDerWaalsContact O-CB 3.28Å; D165-E168 WeakPolarHBondContact O-CB 3.3Å; D165-E168 PolarHBondContact O-N 3.26Å; D165-S239 WeakPolarHBondContact OD1-CA 3.48Å; D165-S239 WeakPolarHBondContact OD1-CB 3.23Å; D165-S240 WeakPolarHBondContact CB-OG 3.47Å; D165-S240 PolarHBondContact OD1-N 3.06Å; D165-S240 PolarHBondContact OD1-OG 3.12Å |
| 166 | V | 93.1 | Very high | 85.4 | Confident | 11 Ų | 11 | 37.4 Ų | 37.4 | 7% | 0.067 | 23% | 0.225 | C | C | . | . | G | 310 helix | trans | -62.4 | -17 | 175.1 | 84.5 | 0 | 0 | 0 | 0 | 112.9 | R132 L135 K136 L163 I164 P169 | R132-V166 HydrophobicContact CB-CB 4.37Å; R132-V166 HydrophobicContact CB-CG2 4.26Å; R132-V166 HydrophobicContact CG-CB 4.48Å; R132-V166 WeakPolarHBondContact O-CG2 3.27Å; L135-V166 HydrophobicContact CB-CG1 4.23Å; L135-V166 HydrophobicContact CD2-CG1 3.82Å; L135-V166 HydrophobicContact CG-CG1 4.04Å; K136-V166 HydrophobicContact CB-CG2 3.65Å; K136-V166 HydrophobicContact CD-CG2 3.87Å; K136-V166 HydrophobicContact CG-CG2 4.01Å; L163-V166 VanDerWaalsContact O-CG1 3.31Å; L163-V166 WeakPolarHBondContact O-CG1 3.5Å; L163-V166 PolarHBondContact O-N 3.45Å; I164-V166 PolarHBondContact O-N 2.86Å; V166-P169 WeakPolarHBondContact O-CD 3.38Å |
| 167 | L | 93.3 | Very high | 83.8 | Confident | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 24% | 0.239 | C | C | . | . | G | 310 helix | trans | -83.4 | -15.7 | 176.7 | -57.2 | -175.3 | 0 | 0 | 0 | 114.1 | L135 V139 F153 I164 D165 P169 F170 L171 F189 I241 | L135-L167 HydrophobicContact CD1-CD2 4.5Å; L135-L167 HydrophobicContact CD2-CD2 4.16Å; L135-L167 HydrophobicContact CD2-CG 4.4Å; L135-L167 HydrophobicContact CG-CD2 4.06Å; V139-L167 HydrophobicContact CB-CD2 4.42Å; V139-L167 HydrophobicContact CG1-CD2 4.47Å; V139-L167 HydrophobicContact CG2-CD2 3.82Å; F153-L167 HydrophobicContact CE1-CD1 4.16Å; F153-L167 HydrophobicContact CE2-CD1 3.75Å; F153-L167 HydrophobicContact CZ-CD1 3.49Å; F153-L167 VanDerWaalsContact CZ-CD1 3.49Å; I164-L167 HydrophobicContact CD1-CD1 3.48Å; I164-L167 VanDerWaalsContact CD1-CD1 3.48Å; I164-L167 HydrophobicContact CD1-CG 4.3Å; I164-L167 HydrophobicContact CG1-CD1 4.11Å; I164-L167 WeakPolarHBondContact O-CB 3.29Å; I164-L167 WeakPolarHBondContact O-CG 3.46Å; I164-L167 PolarHBondContact O-N 3.17Å; D165-L167 PolarHBondContact O-N 3.13Å; D165-L167 VanDerWaalsContact O-N 3.07Å; L167-P169 VanDerWaalsContact C-N 3.29Å; L167-P169 VanDerWaalsContact O-N 3.14Å; L167-F170 HydrophobicContact CD2-CD2 4.27Å; L167-F170 WeakPolarHBondContact O-CA 3.46Å; L167-F170 WeakPolarHBondContact O-CB 3.44Å; L167-F170 PolarHBondContact O-N 3.16Å; L167-L171 HydrophobicContact CB-CD1 4.3Å; L167-L171 HydrophobicContact CB-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 2.93Å; L167-F189 HydrophobicContact CD1-CE1 4.43Å; L167-I241 HydrophobicContact CB-CD1 4.46Å |
| 168 | E | 90.9 | Very high | 82.1 | Confident | 63 Ų | 63 | 44.7 Ų | 44.7 | 29% | 0.294 | 26% | 0.26 | S | S | . | . | H | α-helix | trans | -44.8 | -46.9 | -178.7 | -176 | -156.9 | 137.5 | 0 | 0 | 113 | D165 F170 L171 G172 S240 Q244 L246 | D165-E168 VanDerWaalsContact O-CB 3.28Å; D165-E168 WeakPolarHBondContact O-CB 3.3Å; D165-E168 PolarHBondContact O-N 3.26Å; E168-F170 PolarHBondContact O-N 3.3Å; E168-L171 PolarHBondContact O-N 2.86Å; E168-L171 VanDerWaalsContact O-N 3.12Å; E168-G172 PolarHBondContact O-N 3.19Å; E168-S240 WeakPolarHBondContact OE2-CB 3.4Å; E168-S240 PolarHBondContact OE2-OG 3.3Å; E168-Q244 PolarHBondContact OE1-NE2 2.84Å; E168-Q244 PolarHBondContact OE1-OE1 3.3Å; E168-L246 HydrophobicContact CB-CD1 4.47Å; E168-L246 HydrophobicContact CG-CD1 3.88Å |
| 169 | P | 89.4 | Confident | 80.8 | Confident | 56 Ų | 56 | 50.3 Ų | 50.3 | 36% | 0.364 | 28% | 0.279 | S | S | . | . | H | α-helix | trans | -71.4 | -1.2 | 179.5 | -14.9 | 32.2 | 0 | 0 | 0 | 114.7 | V166 L167 H175 | V166-P169 WeakPolarHBondContact O-CD 3.38Å; L167-P169 VanDerWaalsContact C-N 3.29Å; L167-P169 VanDerWaalsContact O-N 3.14Å; P169-H175 PolarHBondContact O-CD2 3.35Å; P169-H175 PolarHBondContact O-NE2 3.1Å |
| 170 | F | 91.4 | Very high | 79.8 | Confident | 16 Ų | 16 | 51.2 Ų | 51.2 | 7% | 0.07 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -107.9 | -14.1 | 174 | -53.1 | -67.5 | 0 | 0 | 0 | 112.2 | P79 K136 V139 K140 L143 L167 E168 Y182 Y187 | P79-F170 WeakPolarHBondContact CG-O 3.49Å; K136-F170 HydrophobicContact CG-CE2 4.11Å; K136-F170 HydrophobicContact CG-CZ 4.1Å; V139-F170 HydrophobicContact CB-CD2 4.46Å; V139-F170 HydrophobicContact CB-CE2 4.35Å; V139-F170 HydrophobicContact CG1-CB 4.43Å; V139-F170 HydrophobicContact CG1-CD1 4.37Å; V139-F170 HydrophobicContact CG1-CD2 3.76Å; V139-F170 HydrophobicContact CG1-CE2 4.07Å; V139-F170 HydrophobicContact CG1-CG 3.94Å; V139-F170 HydrophobicContact CG1-CZ 4.49Å; K140-F170 HydrophobicContact CB-CE1 4.13Å; K140-F170 HydrophobicContact CB-CZ 4.03Å; L143-F170 HydrophobicContact CD1-CB 4.35Å; L143-F170 HydrophobicContact CD1-CD1 3.88Å; L143-F170 HydrophobicContact CD1-CG 4.27Å; L167-F170 HydrophobicContact CD2-CD2 4.27Å; L167-F170 WeakPolarHBondContact O-CA 3.46Å; L167-F170 WeakPolarHBondContact O-CB 3.44Å; L167-F170 PolarHBondContact O-N 3.16Å; E168-F170 PolarHBondContact O-N 3.3Å; F170-Y182 HydrophobicContact CD1-CD2 4.07Å; F170-Y182 HydrophobicContact CD1-CE2 4.33Å; F170-Y182 HydrophobicContact CE1-CD2 4.5Å; F170-Y182 HydrophobicContact CE1-CE2 4.3Å; F170-Y187 WeakPolarHBondContact CB-OH 3.29Å |
| 171 | L | 91.9 | Very high | 79.4 | Confident | 0 Ų | 0 | 51.4 Ų | 51.4 | 0% | 0 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -98.1 | -15.5 | -178.5 | -53.9 | -179.8 | 0 | 0 | 0 | 113.3 | P79 V81 L167 E168 Y187 F189 I241 L246 | P79-L171 HydrophobicContact CG-CD2 4.33Å; V81-L171 HydrophobicContact CG2-CD2 3.8Å; L167-L171 HydrophobicContact CB-CD1 4.3Å; L167-L171 HydrophobicContact CB-CG 4.42Å; L167-L171 WeakPolarHBondContact O-CG 3.41Å; L167-L171 PolarHBondContact O-N 2.93Å; E168-L171 PolarHBondContact O-N 2.86Å; E168-L171 VanDerWaalsContact O-N 3.12Å; L171-Y187 HydrophobicContact CD2-CD1 3.8Å; L171-Y187 HydrophobicContact CD2-CD2 3.35Å; L171-Y187 HydrophobicContact CD2-CE1 3.92Å; L171-Y187 HydrophobicContact CD2-CE2 3.48Å; L171-Y187 VanDerWaalsContact CD2-CE2 3.48Å; L171-Y187 HydrophobicContact CD2-CG 3.52Å; L171-F189 HydrophobicContact CD1-CZ 4.17Å; L171-I241 HydrophobicContact CD1-CD1 3.65Å; L171-I241 HydrophobicContact CD1-CG1 3.89Å; L171-I241 HydrophobicContact CD1-CG2 3.98Å; L171-L246 HydrophobicContact CB-CB 3.98Å; L171-L246 HydrophobicContact CB-CD1 3.89Å; L171-L246 HydrophobicContact CB-CG 4.41Å; L171-L246 HydrophobicContact CD1-CB 4.5Å |
| 172 | G | 81.3 | Confident | 79.4 | Confident | 6 Ų | 6 | 47.3 Ų | 47.3 | 6% | 0.062 | 25% | 0.25 | C | S | . | . | S | Bend | trans | -78.2 | 178.5 | 178 | 0 | 0 | 0 | 0 | 0 | 115.1 | E168 | E168-G172 PolarHBondContact O-N 3.19Š|
| 173 | P | 70.8 | Confident | 79.7 | Confident | 89 Ų | 89 | 48.9 Ų | 48.9 | 58% | 0.578 | 25% | 0.25 | S | C | * | . | S | Bend | trans | -80.5 | -17.2 | -175.3 | 31 | -35.4 | 0 | 0 | 0 | 114.7 | D77 R183 | D77-P173 WeakPolarHBondContact O-CA 3.46Å; D77-P173 WeakPolarHBondContact O-CB 3.17Å; P173-R183 WeakPolarHBondContact O-CD 3.5Å |
| 174 | S | 63 | Low | 79.7 | Confident | 74 Ų | 74 | 50.7 Ų | 50.7 | 52% | 0.517 | 26% | 0.258 | S | S | . | . | trans | -80.6 | -174 | 179 | -69.8 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 175 | H | 63.8 | Low | 79.8 | Confident | 70 Ų | 70 | 50.7 Ų | 50.7 | 32% | 0.324 | 26% | 0.258 | S | S | . | . | trans | 85.8 | 55.8 | 165.5 | -24.9 | -66 | 0 | 0 | 0 | 116.1 | P169 V177 Y182 | P169-H175 PolarHBondContact O-CD2 3.35Å; P169-H175 PolarHBondContact O-NE2 3.1Å; H175-V177 HydrophobicContact CB-CG2 4.11Å; H175-V177 PolarHBondContact O-N 2.88Å; H175-Y182 HydrophobicContact CB-CD2 4.44Å | ||
| 176 | V | 58 | Low | 80.1 | Confident | 83 Ų | 83 | 49 Ų | 49 | 50% | 0.503 | 25% | 0.249 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.9 | 110.8 | 141.3 | -179.6 | 0 | 0 | 0 | 0 | 106.5 | ||
| 177 | V | 57.6 | Low | 80.3 | Confident | 49 Ų | 49 | 48.5 Ų | 48.5 | 30% | 0.297 | 25% | 0.246 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.9 | 130.7 | 174.9 | -164.2 | 0 | 0 | 0 | 0 | 107.3 | H175 R179 T180 Y182 | H175-V177 HydrophobicContact CB-CG2 4.11Å; H175-V177 PolarHBondContact O-N 2.88Å; V177-R179 VanDerWaalsContact C-N 3.31Å; V177-R179 PolarHBondContact O-N 3.16Å; V177-T180 PolarHBondContact O-N 2.57Å; V177-Y182 HydrophobicContact CB-CE2 3.82Å; V177-Y182 HydrophobicContact CG2-CD2 4.28Å; V177-Y182 HydrophobicContact CG2-CE2 3.77Å |
| 178 | F | 55.8 | Low | 80.5 | Confident | 146 Ų | 146 | 48.5 Ų | 48.5 | 64% | 0.64 | 25% | 0.246 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 53.3 | 41.9 | -177.5 | -55.2 | -73.3 | 0 | 0 | 0 | 114.3 | T180 | F178-T180 PolarHBondContact O-N 3.4Å; F178-T180 PolarHBondContact O-OG1 2.69Å |
| 179 | R | 63.9 | Low | 80.9 | Confident | 219 Ų | 219 | 45.5 Ų | 45.5 | 83% | 0.826 | 23% | 0.232 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 63.3 | 4.9 | -179.9 | -53.6 | -179.5 | 177.1 | -166.4 | -2.3 | 115.6 | V177 | V177-R179 VanDerWaalsContact C-N 3.31Å; V177-R179 PolarHBondContact O-N 3.16Å |
| 180 | T | 71.1 | Confident | 81.2 | Confident | 28 Ų | 28 | 43 Ų | 43 | 17% | 0.172 | 22% | 0.215 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -96.8 | 130.3 | 177.3 | -49.4 | 0 | 0 | 0 | 0 | 109.7 | L143 A147 V177 F178 Y182 | L143-T180 WeakPolarHBondContact O-CG2 3.44Å; A147-T180 HydrophobicContact CB-CG2 3.64Å; V177-T180 PolarHBondContact O-N 2.57Å; F178-T180 PolarHBondContact O-N 3.4Å; F178-T180 PolarHBondContact O-OG1 2.69Å; T180-Y182 HydrophobicContact CG2-CD1 4.2Å; T180-Y182 HydrophobicContact CG2-CE1 4.15Å; T180-Y182 PolarHBondContact O-N 2.91Å |
| 181 | N | 82.4 | Confident | 81.4 | Confident | 23 Ų | 23 | 42.3 Ų | 42.3 | 12% | 0.123 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 91.9 | -178.4 | -175.1 | 0.6 | 0 | 0 | 0 | 110.6 | A147 R183 K184 | A147-N181 WeakPolarHBondContact CB-O 3.27Å; N181-R183 PolarHBondContact O-N 3.16Å; N181-R183 VanDerWaalsContact O-N 3.08Å; N181-R183 WeakPolarHBondContact OD1-CB 3.43Å; N181-R183 VanDerWaalsContact OD1-CG 3.31Å; N181-R183 WeakPolarHBondContact OD1-CG 3.21Å; N181-R183 PolarHBondContact OD1-N 2.81Å; N181-R183 VanDerWaalsContact OD1-N 3.11Å; N181-R183 PolarHBondContact OD1-NE 3.39Å; N181-K184 HydrophobicContact CB-CG 4.46Å; N181-K184 PolarHBondContact O-N 2.88Å; N181-K184 VanDerWaalsContact O-N 3.13Å |
| 182 | Y | 88.3 | Confident | 81.5 | Confident | 4 Ų | 4 | 44 Ų | 44 | 2% | 0.016 | 22% | 0.223 | C | C | . | . | G | 310 helix | trans | -61.9 | -17.3 | -179.6 | -64 | -6.2 | 0 | 0 | 0 | 113.4 | L143 T144 F170 H175 V177 T180 K184 A185 | L143-Y182 HydrophobicContact CB-CD1 3.61Å; L143-Y182 HydrophobicContact CB-CD2 4.46Å; L143-Y182 HydrophobicContact CB-CE1 3.56Å; L143-Y182 HydrophobicContact CB-CE2 4.41Å; L143-Y182 HydrophobicContact CB-CG 4.08Å; L143-Y182 HydrophobicContact CD1-CD1 4.26Å; L143-Y182 HydrophobicContact CD1-CD2 3.92Å; L143-Y182 HydrophobicContact CD1-CE2 4.37Å; L143-Y182 HydrophobicContact CD1-CG 3.86Å; L143-Y182 HydrophobicContact CG-CD1 4.4Å; L143-Y182 HydrophobicContact CG-CG 4.46Å; T144-Y182 PolarHBondContact OG1-OH 2.68Å; F170-Y182 HydrophobicContact CD1-CD2 4.07Å; F170-Y182 HydrophobicContact CD1-CE2 4.33Å; F170-Y182 HydrophobicContact CE1-CD2 4.5Å; F170-Y182 HydrophobicContact CE1-CE2 4.3Å; H175-Y182 HydrophobicContact CB-CD2 4.44Å; V177-Y182 HydrophobicContact CB-CE2 3.82Å; V177-Y182 HydrophobicContact CG2-CD2 4.28Å; V177-Y182 HydrophobicContact CG2-CE2 3.77Å; T180-Y182 HydrophobicContact CG2-CD1 4.2Å; T180-Y182 HydrophobicContact CG2-CE1 4.15Å; T180-Y182 PolarHBondContact O-N 2.91Å; Y182-K184 PolarHBondContact O-N 3.48Å; Y182-K184 VanDerWaalsContact O-N 3.12Å; Y182-A185 WeakPolarHBondContact O-CB 3.22Å; Y182-A185 PolarHBondContact O-N 2.79Å |
| 183 | R | 90.8 | Very high | 81.9 | Confident | 54 Ų | 54 | 43.8 Ų | 43.8 | 20% | 0.204 | 22% | 0.221 | C | C | . | . | G | 310 helix | trans | -67.5 | -9.2 | 176.1 | -50.2 | -173.7 | -66.7 | -94.3 | 0.8 | 113.7 | F70 P76 D77 R78 P79 P173 N181 A185 | F70-R183 WeakPolarHBondContact CE2-O 3.49Å; F70-R183 WeakPolarHBondContact CZ-O 3.48Å; P76-R183 HydrophobicContact CG-CB 4.22Å; P76-R183 WeakPolarHBondContact CG-O 3.48Å; P76-R183 WeakPolarHBondContact O-CB 3.22Å; P76-R183 VanDerWaalsContact O-CD 3.27Å; P76-R183 WeakPolarHBondContact O-CD 3.4Å; P76-R183 PolarHBondContact O-NE 3.14Å; D77-R183 VanDerWaalsContact C-CD 3.44Å; D77-R183 VanDerWaalsContact O-CD 3.23Å; D77-R183 WeakPolarHBondContact O-CD 3.26Å; R78-R183 CarbonylContact C-O 3.59Å; P79-R183 VanDerWaalsContact CA-O 3.25Å; P79-R183 WeakPolarHBondContact CA-O 3.21Å; P173-R183 WeakPolarHBondContact O-CD 3.5Å; N181-R183 PolarHBondContact O-N 3.16Å; N181-R183 VanDerWaalsContact O-N 3.08Å; N181-R183 WeakPolarHBondContact OD1-CB 3.43Å; N181-R183 VanDerWaalsContact OD1-CG 3.31Å; N181-R183 WeakPolarHBondContact OD1-CG 3.21Å; N181-R183 PolarHBondContact OD1-N 2.81Å; N181-R183 VanDerWaalsContact OD1-N 3.11Å; N181-R183 PolarHBondContact OD1-NE 3.39Å; R183-A185 VanDerWaalsContact C-N 3.32Å |
| 184 | K | 92.4 | Very high | 82.8 | Confident | 37 Ų | 37 | 40 Ų | 40 | 16% | 0.161 | 20% | 0.198 | C | C | . | . | G | 310 helix | trans | -84.2 | -5.7 | 175.5 | -70.3 | -173.3 | 179 | -177.4 | 0 | 113.4 | F70 K74 P76 A147 R148 N181 Y182 | F70-K184 WeakPolarHBondContact CE1-O 3.24Å; F70-K184 WeakPolarHBondContact CZ-O 3.34Å; K74-K184 WeakPolarHBondContact O-CE 3.31Å; P76-K184 HydrophobicContact CG-CG 4.16Å; A147-K184 HydrophobicContact CB-CB 4.17Å; A147-K184 HydrophobicContact CB-CD 4.43Å; A147-K184 CarbonylContact O-C 3.58Å; A147-K184 WeakPolarHBondContact O-CB 3.04Å; R148-K184 WeakPolarHBondContact CD-O 3.48Å; R148-K184 HydrophobicContact CG-CB 4.29Å; R148-K184 PolarHBondContact NH1-O 3.09Å; N181-K184 HydrophobicContact CB-CG 4.46Å; N181-K184 PolarHBondContact O-N 2.88Å; N181-K184 VanDerWaalsContact O-N 3.13Å; Y182-K184 PolarHBondContact O-N 3.48Å; Y182-K184 VanDerWaalsContact O-N 3.12Å |
| 185 | A | 94.8 | Very high | 84.3 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 19% | 0.19 | C | C | . | . | trans | -75.1 | 161.5 | -178.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | F70 P79 L80 L143 A147 S149 Y182 R183 Y187 | F70-A185 WeakPolarHBondContact CZ-O 3.46Å; P79-A185 WeakPolarHBondContact CA-O 3.18Å; P79-A185 HydrophobicContact CB-CB 4.4Å; P79-A185 WeakPolarHBondContact CB-O 3.47Å; L80-A185 PolarHBondContact N-O 3.34Å; L80-A185 VanDerWaalsContact N-O 3.15Å; L143-A185 HydrophobicContact CD2-CB 3.51Å; A147-A185 WeakPolarHBondContact O-CA 3.36Å; A147-A185 PolarHBondContact O-N 3.19Å; S149-A185 WeakPolarHBondContact O-CA 3.42Å; Y182-A185 WeakPolarHBondContact O-CB 3.22Å; Y182-A185 PolarHBondContact O-N 2.79Å; R183-A185 VanDerWaalsContact C-N 3.32Å; A185-Y187 HydrophobicContact CB-CE2 3.82Å | ||
| 186 | I | 97.5 | Very high | 85.7 | Confident | 1 Ų | 1 | 42.3 Ų | 42.3 | 1% | 0.005 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124 | 133 | 175.9 | -54.9 | 176.3 | 0 | 0 | 0 | 109.1 | F70 L80 L99 L103 S149 V150 F151 V188 | F70-I186 HydrophobicContact CD1-CD1 4.24Å; F70-I186 HydrophobicContact CD1-CG1 4.11Å; F70-I186 HydrophobicContact CE1-CD1 4.14Å; F70-I186 HydrophobicContact CE1-CG1 3.63Å; F70-I186 HydrophobicContact CZ-CG1 4.5Å; L80-I186 HydrophobicContact CB-CG1 4.22Å; L80-I186 HydrophobicContact CB-CG2 4.34Å; L80-I186 HydrophobicContact CD2-CD1 4.42Å; L80-I186 HydrophobicContact CD2-CG1 4.4Å; L80-I186 HydrophobicContact CD2-CG2 4.12Å; L80-I186 HydrophobicContact CG-CG2 4.26Å; L80-I186 CarbonylContact O-C 3.28Å; L80-I186 WeakPolarHBondContact O-CA 3.04Å; L99-I186 HydrophobicContact CD2-CG2 4.26Å; L103-I186 HydrophobicContact CD1-CD1 3.64Å; S149-I186 PolarHBondContact O-N 3.41Å; S149-I186 VanDerWaalsContact O-N 3.12Å; V150-I186 CarbonylContact C-O 3.57Å; V150-I186 WeakPolarHBondContact CA-O 3.43Å; V150-I186 HydrophobicContact CG1-CB 4.48Å; V150-I186 HydrophobicContact CG2-CB 4.17Å; V150-I186 HydrophobicContact CG2-CD1 4.44Å; F151-I186 PolarHBondContact N-O 3.2Å; I186-V188 HydrophobicContact CG2-CG2 4.27Å |
| 187 | Y | 98.2 | Very high | 87.3 | Confident | 0 Ų | 0 | 39 Ų | 39 | 0% | 0 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.3 | 132 | 175.8 | -63.6 | -96.3 | 0 | 0 | 0 | 109 | P79 L80 V81 L82 F151 F153 F170 L171 A185 | P79-Y187 HydrophobicContact CB-CD2 4.01Å; P79-Y187 HydrophobicContact CB-CE2 3.89Å; P79-Y187 HydrophobicContact CG-CD2 4.29Å; P79-Y187 HydrophobicContact CG-CE2 4.08Å; L80-Y187 PolarHBondContact O-N 3.18Å; V81-Y187 WeakPolarHBondContact CA-O 3.49Å; V81-Y187 HydrophobicContact CG2-CD2 4.34Å; L82-Y187 PolarHBondContact N-O 2.88Å; F151-Y187 HydrophobicContact CB-CD1 3.81Å; F151-Y187 HydrophobicContact CB-CE1 4Å; F151-Y187 HydrophobicContact CD2-CD1 4.03Å; F151-Y187 AromaticContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE1 3.5Å; F151-Y187 VanDerWaalsContact CD2-CE1 3.5Å; F151-Y187 HydrophobicContact CD2-CE2 4.47Å; F151-Y187 AromaticContact CD2-CZ 3.75Å; F151-Y187 HydrophobicContact CE2-CE1 4.25Å; F151-Y187 HydrophobicContact CG-CD1 4.27Å; F151-Y187 AromaticContact CG-CE1 3.96Å; F151-Y187 HydrophobicContact CG-CE1 3.96Å; F151-Y187 CarbonylContact O-C 3.53Å; F151-Y187 WeakPolarHBondContact O-CA 2.95Å; F153-Y187 HydrophobicContact CE2-CD1 4.2Å; F170-Y187 WeakPolarHBondContact CB-OH 3.29Å; L171-Y187 HydrophobicContact CD2-CD1 3.8Å; L171-Y187 HydrophobicContact CD2-CD2 3.35Å; L171-Y187 HydrophobicContact CD2-CE1 3.92Å; L171-Y187 HydrophobicContact CD2-CE2 3.48Å; L171-Y187 VanDerWaalsContact CD2-CE2 3.48Å; L171-Y187 HydrophobicContact CD2-CG 3.52Å; A185-Y187 HydrophobicContact CB-CE2 3.82Å |
| 188 | V | 98.4 | Very high | 89.1 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.167 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.1 | 114.6 | 176.1 | -175.8 | 0 | 0 | 0 | 0 | 108.4 | L82 F84 L99 F151 I152 F153 I186 I190 | L82-V188 CarbonylContact O-C 3.56Å; L82-V188 WeakPolarHBondContact O-CA 3.18Å; F84-V188 HydrophobicContact CD1-CG1 4.43Å; F84-V188 HydrophobicContact CD2-CG1 3.8Å; F84-V188 HydrophobicContact CE1-CG1 4.23Å; F84-V188 HydrophobicContact CE2-CG1 3.52Å; F84-V188 HydrophobicContact CG-CG1 4.26Å; F84-V188 HydrophobicContact CZ-CG1 3.76Å; L99-V188 HydrophobicContact CD2-CG2 3.85Å; F151-V188 PolarHBondContact O-N 3.3Å; I152-V188 CarbonylContact C-O 3.58Å; I152-V188 WeakPolarHBondContact CA-O 3.33Å; I152-V188 HydrophobicContact CG1-CB 4.27Å; F153-V188 PolarHBondContact N-O 3.17Å; I186-V188 HydrophobicContact CG2-CG2 4.27Å; V188-I190 HydrophobicContact CG1-CG1 4.04Å |
| 189 | F | 97.3 | Very high | 91 | Very high | 1 Ų | 1 | 31.1 Ų | 31.1 | 0% | 0.004 | 14% | 0.143 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.3 | 126.1 | 173.3 | -58 | -33 | 0 | 0 | 0 | 109 | V81 L82 S83 F84 F153 M156 I164 L167 L171 L236 I241 | V81-F189 HydrophobicContact CG1-CD2 4.09Å; V81-F189 HydrophobicContact CG1-CE2 3.62Å; V81-F189 HydrophobicContact CG1-CZ 4.24Å; L82-F189 PolarHBondContact O-N 3.22Å; S83-F189 CarbonylContact C-O 3.44Å; S83-F189 WeakPolarHBondContact CA-O 3.49Å; F84-F189 PolarHBondContact N-O 3Å; F153-F189 HydrophobicContact CB-CD1 4.01Å; F153-F189 AromaticContact CD2-CD1 3.71Å; F153-F189 HydrophobicContact CD2-CD1 3.71Å; F153-F189 AromaticContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CD2-CE1 3.54Å; F153-F189 HydrophobicContact CE2-CE1 4.02Å; F153-F189 HydrophobicContact CG-CD1 4.15Å; F153-F189 HydrophobicContact CG-CE1 4.21Å; M156-F189 HydrophobicContact CG-CB 4.17Å; I164-F189 HydrophobicContact CD1-CE1 4.14Å; L167-F189 HydrophobicContact CD1-CE1 4.43Å; L171-F189 HydrophobicContact CD1-CZ 4.17Å; F189-L236 HydrophobicContact CD2-CD1 4.44Å; F189-L236 HydrophobicContact CD2-CD2 4.2Å; F189-L236 HydrophobicContact CE2-CD2 4.32Å; F189-I241 HydrophobicContact CE2-CD1 4.38Å; F189-I241 HydrophobicContact CE2-CG2 4.24Å; F189-I241 HydrophobicContact CZ-CD1 4.23Å |
| 190 | I | 97.3 | Very high | 92.5 | Very high | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.01 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.9 | 123.4 | -180 | -55.5 | 174.6 | 0 | 0 | 0 | 108.6 | F84 K92 I152 F153 D154 E155 M156 V188 | F84-I190 HydrophobicContact CB-CG1 4.38Å; F84-I190 HydrophobicContact CD2-CD1 4.48Å; F84-I190 HydrophobicContact CD2-CG1 3.98Å; K92-I190 HydrophobicContact CB-CG2 3.6Å; K92-I190 HydrophobicContact CD-CG2 3.87Å; K92-I190 HydrophobicContact CG-CG2 4.34Å; I152-I190 HydrophobicContact CG2-CD1 3.89Å; F153-I190 PolarHBondContact O-N 3.28Å; D154-I190 WeakPolarHBondContact OD1-CG2 3.48Å; E155-I190 PolarHBondContact N-O 3.25Å; M156-I190 WeakPolarHBondContact CB-O 3.43Å; M156-I190 WeakPolarHBondContact CG-O 3.4Å; M156-I190 PolarHBondContact N-O 3.2Å; V188-I190 HydrophobicContact CG1-CG1 4.04Å |
| 191 | S | 94.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 27.9 Ų | 27.9 | 1% | 0.014 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -141.1 | 156.6 | 178.5 | -166 | 0 | 0 | 0 | 0 | 113.3 | F84 H85 G86 K92 E157 A193 | F84-S191 PolarHBondContact O-N 3.39Å; H85-S191 WeakPolarHBondContact CA-O 3.32Å; G86-S191 PolarHBondContact N-O 2.75Å; K92-S191 VanDerWaalsContact CE-O 3.27Å; K92-S191 WeakPolarHBondContact CE-O 3.49Å; E157-S191 WeakPolarHBondContact OE2-CA 3.45Å; E157-S191 WeakPolarHBondContact OE2-CB 3.44Å; E157-S191 PolarHBondContact OE2-OG 3.08Å; S191-A193 WeakPolarHBondContact OG-CB 3.32Å; S191-A193 PolarHBondContact OG-N 3.47Å |
| 192 | T | 93.8 | Very high | 94.2 | Very high | 36 Ų | 36 | 27 Ų | 27 | 22% | 0.221 | 13% | 0.125 | C | C | . | . | trans | -91 | -1.4 | 164 | 61.9 | 0 | 0 | 0 | 0 | 113.6 | G86 E157 G194 K195 | G86-T192 WeakPolarHBondContact O-CA 3.39Å; E157-T192 WeakPolarHBondContact OE1-CB 3.46Å; E157-T192 VanDerWaalsContact OE1-CG2 3.29Å; E157-T192 WeakPolarHBondContact OE1-CG2 3.49Å; E157-T192 PolarHBondContact OE1-N 2.9Å; E157-T192 PolarHBondContact OE1-OG1 2.83Å; E157-T192 PolarHBondContact OE2-N 3.11Å; T192-G194 PolarHBondContact O-N 2.72Å; T192-K195 VanDerWaalsContact O-CB 3.26Å; T192-K195 WeakPolarHBondContact O-CB 3.23Å; T192-K195 WeakPolarHBondContact O-CG 3.17Å; T192-K195 PolarHBondContact O-N 3.13Å | ||
| 193 | A | 90.5 | Very high | 94.6 | Very high | 2 Ų | 2 | 28.5 Ų | 28.5 | 2% | 0.017 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -56.4 | 138.2 | 172 | 0 | 0 | 0 | 0 | 0 | 111.1 | H85 S191 K195 V228 | H85-A193 WeakPolarHBondContact CB-O 3.46Å; H85-A193 PolarHBondContact ND1-O 2.92Å; S191-A193 WeakPolarHBondContact OG-CB 3.32Å; S191-A193 PolarHBondContact OG-N 3.47Å; A193-K195 VanDerWaalsContact C-N 3.32Å; A193-V228 HydrophobicContact CB-CG2 4.24Å |
| 194 | G | 90.4 | Very high | 94.7 | Very high | 10 Ų | 10 | 31.3 Ų | 31.3 | 10% | 0.103 | 15% | 0.148 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 83.4 | -3.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 115.6 | T192 E196 A197 I198 | T192-G194 PolarHBondContact O-N 2.72Å; G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.24Å; G194-A197 PolarHBondContact O-N 2.98Å; G194-I198 WeakPolarHBondContact O-CG1 3.25Å; G194-I198 PolarHBondContact O-N 2.69Å |
| 195 | K | 93.3 | Very high | 94.9 | Very high | 81 Ų | 81 | 30.7 Ų | 30.7 | 35% | 0.352 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -53.5 | -41 | -180 | 64.7 | 174.6 | 176.4 | 147.6 | 0 | 113.9 | T192 A193 H199 | T192-K195 VanDerWaalsContact O-CB 3.26Å; T192-K195 WeakPolarHBondContact O-CB 3.23Å; T192-K195 WeakPolarHBondContact O-CG 3.17Å; T192-K195 PolarHBondContact O-N 3.13Å; A193-K195 VanDerWaalsContact C-N 3.32Å; K195-H199 WeakPolarHBondContact O-CB 3.31Å; K195-H199 PolarHBondContact O-N 3.16Å |
| 196 | E | 92.8 | Very high | 94.8 | Very high | 110 Ų | 110 | 37 Ų | 37 | 51% | 0.514 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -70.3 | -37 | -176.3 | -57.4 | -52.8 | 144.4 | 0 | 0 | 111.5 | G194 H199 R200 | G194-E196 VanDerWaalsContact C-N 3.28Å; G194-E196 PolarHBondContact O-N 3.24Å; E196-H199 PolarHBondContact O-N 2.62Å; E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.34Å |
| 197 | A | 93.2 | Very high | 94.6 | Very high | 15 Ų | 15 | 42.5 Ų | 42.5 | 12% | 0.124 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -74.5 | -40.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 111.2 | G194 L201 V223 S227 | G194-A197 PolarHBondContact O-N 2.98Å; A197-L201 PolarHBondContact O-N 3.01Å; A197-L201 VanDerWaalsContact O-N 3.13Å; A197-V223 HydrophobicContact CB-CG1 3.33Å; A197-S227 VanDerWaalsContact CB-OG 3.24Å; A197-S227 WeakPolarHBondContact CB-OG 3.39Å |
| 198 | I | 95.6 | Very high | 94.5 | Very high | 2 Ų | 2 | 45.7 Ų | 45.7 | 1% | 0.01 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -59.3 | -48.6 | 169.3 | -64 | 164.6 | 0 | 0 | 0 | 109.9 | H85 G194 R200 L201 V202 L220 V224 P252 L254 | H85-I198 HydrophobicContact CB-CD1 4.33Å; H85-I198 WeakPolarHBondContact O-CD1 3.27Å; G194-I198 WeakPolarHBondContact O-CG1 3.25Å; G194-I198 PolarHBondContact O-N 2.69Å; I198-R200 PolarHBondContact O-N 2.77Å; I198-L201 PolarHBondContact O-N 3.12Å; I198-V202 HydrophobicContact CG2-CG2 4.23Å; I198-V202 WeakPolarHBondContact O-CB 3.47Å; I198-V202 WeakPolarHBondContact O-CG2 3.36Å; I198-V202 PolarHBondContact O-N 3.02Å; I198-L220 HydrophobicContact CB-CD2 4.34Å; I198-L220 HydrophobicContact CG1-CD2 4.12Å; I198-L220 HydrophobicContact CG2-CD2 4.29Å; I198-V224 HydrophobicContact CD1-CG2 3.78Å; I198-V224 HydrophobicContact CG1-CG2 3.59Å; I198-P252 HydrophobicContact CD1-CB 4.29Å; I198-L254 HydrophobicContact CG2-CD2 3.78Å |
| 199 | H | 95.3 | Very high | 94.3 | Very high | 26 Ų | 26 | 49 Ų | 49 | 12% | 0.12 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59 | -47.2 | -178.7 | -173.9 | -97.8 | 0 | 0 | 0 | 111.8 | K195 E196 V202 L203 D291 F298 | K195-H199 WeakPolarHBondContact O-CB 3.31Å; K195-H199 PolarHBondContact O-N 3.16Å; E196-H199 PolarHBondContact O-N 2.62Å; H199-V202 PolarHBondContact O-N 3.13Å; H199-L203 WeakPolarHBondContact O-CB 3.38Å; H199-L203 PolarHBondContact O-N 3.32Å; H199-D291 IonicContact CE1-OD2 2.72Å; H199-D291 PolarHBondContact CE1-OD2 3.07Å; H199-D291 IonicContact NE2-OD2 3.86Å; H199-F298 AromaticContact NE2-CD2 3.56Å |
| 200 | R | 94.5 | Very high | 94.2 | Very high | 155 Ų | 155 | 55.9 Ų | 55.9 | 59% | 0.585 | 29% | 0.285 | S | S | * | . | H | α-helix | trans | -58.3 | -50.2 | 177.7 | -174.8 | -177.1 | -58.5 | 148.7 | 3.9 | 112.2 | E196 I198 V202 L203 E204 | E196-R200 WeakPolarHBondContact O-CB 3.35Å; E196-R200 PolarHBondContact O-N 3.34Å; I198-R200 PolarHBondContact O-N 2.77Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.08Å; R200-L203 PolarHBondContact O-N 3.3Å; R200-E204 HydrophobicContact CG-CG 4.44Å; R200-E204 VanDerWaalsContact CG-OE1 3.32Å; R200-E204 WeakPolarHBondContact CG-OE1 3.19Å; R200-E204 WeakPolarHBondContact O-CG 3.2Å; R200-E204 PolarHBondContact O-N 2.64Å |
| 201 | L | 95 | Very high | 93.9 | Very high | 25 Ų | 25 | 60.1 Ų | 60.1 | 13% | 0.131 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -61.9 | -40.9 | -179.3 | -176.1 | 147.4 | 0 | 0 | 0 | 111.9 | A197 I198 E204 N205 I215 D219 L220 V223 | A197-L201 PolarHBondContact O-N 3.01Å; A197-L201 VanDerWaalsContact O-N 3.13Å; I198-L201 PolarHBondContact O-N 3.12Å; L201-E204 PolarHBondContact O-N 3.08Å; L201-N205 WeakPolarHBondContact CD2-ND2 3.42Å; L201-N205 PolarHBondContact O-N 3.2Å; L201-N205 PolarHBondContact O-ND2 2.87Å; L201-I215 HydrophobicContact CD2-CG2 4.08Å; L201-D219 HydrophobicContact CD1-CB 4.4Å; L201-D219 WeakPolarHBondContact CD1-O 3.4Å; L201-L220 HydrophobicContact CB-CD2 4.21Å; L201-L220 HydrophobicContact CD1-CD2 4.01Å; L201-L220 HydrophobicContact CD1-CG 4.44Å; L201-L220 HydrophobicContact CD2-CD2 3.84Å; L201-L220 HydrophobicContact CD2-CG 4.1Å; L201-L220 HydrophobicContact CG-CD2 4.24Å; L201-V223 HydrophobicContact CD1-CG2 4.44Å |
| 202 | V | 95.7 | Very high | 93.8 | Very high | 4 Ų | 4 | 61.2 Ų | 61.2 | 2% | 0.024 | 31% | 0.312 | C | S | . | . | H | α-helix | trans | -67.9 | -39.4 | 178.8 | 176.7 | 0 | 0 | 0 | 0 | 110.7 | I198 H199 R200 R206 I215 L254 P255 F298 | I198-V202 HydrophobicContact CG2-CG2 4.23Å; I198-V202 WeakPolarHBondContact O-CB 3.47Å; I198-V202 WeakPolarHBondContact O-CG2 3.36Å; I198-V202 PolarHBondContact O-N 3.02Å; H199-V202 PolarHBondContact O-N 3.13Å; R200-V202 VanDerWaalsContact C-N 3.31Å; R200-V202 PolarHBondContact O-N 3.08Å; V202-R206 WeakPolarHBondContact O-CB 3.38Å; V202-R206 PolarHBondContact O-N 3.12Å; V202-I215 HydrophobicContact CB-CD1 4.44Å; V202-I215 HydrophobicContact CG1-CD1 4.38Å; V202-I215 HydrophobicContact CG2-CD1 3.98Å; V202-L254 HydrophobicContact CG2-CD2 3.79Å; V202-P255 HydrophobicContact CB-CG 4.25Å; V202-P255 HydrophobicContact CG1-CG 4.03Å; V202-F298 HydrophobicContact CG1-CE1 3.9Å; V202-F298 HydrophobicContact CG1-CE2 4.21Å; V202-F298 HydrophobicContact CG1-CZ 3.57Å |
| 203 | L | 94.9 | Very high | 93.7 | Very high | 35 Ų | 35 | 64 Ų | 64 | 18% | 0.183 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -64.5 | -46 | 175.1 | -179.9 | 61.2 | 0 | 0 | 0 | 111.7 | H199 R200 N205 R206 L207 P292 Y297 F298 | H199-L203 WeakPolarHBondContact O-CB 3.38Å; H199-L203 PolarHBondContact O-N 3.32Å; R200-L203 PolarHBondContact O-N 3.3Å; L203-N205 PolarHBondContact O-N 3.05Å; L203-R206 WeakPolarHBondContact O-CB 3.39Å; L203-R206 PolarHBondContact O-N 2.7Å; L203-R206 VanDerWaalsContact O-N 3.17Å; L203-L207 HydrophobicContact CD1-CD1 4.26Å; L203-L207 HydrophobicContact CD1-CG 4.18Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 HydrophobicContact CG-CG 4.4Å; L203-L207 VanDerWaalsContact O-CG 3.32Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.11Å; L203-P292 HydrophobicContact CD1-CG 4.03Å; L203-Y297 HydrophobicContact CD1-CD2 3.81Å; L203-Y297 HydrophobicContact CD1-CE2 4.31Å; L203-F298 HydrophobicContact CB-CE2 4.17Å; L203-F298 HydrophobicContact CD1-CE2 4.1Å |
| 204 | E | 94.6 | Very high | 93.9 | Very high | 113 Ų | 113 | 69.9 Ų | 69.9 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -60 | -44.3 | 177.5 | -74.6 | 170.6 | -176.7 | 0 | 0 | 111.8 | R200 L201 R206 L207 A208 | R200-E204 HydrophobicContact CG-CG 4.44Å; R200-E204 VanDerWaalsContact CG-OE1 3.32Å; R200-E204 WeakPolarHBondContact CG-OE1 3.19Å; R200-E204 WeakPolarHBondContact O-CG 3.2Å; R200-E204 PolarHBondContact O-N 2.64Å; L201-E204 PolarHBondContact O-N 3.08Å; E204-R206 VanDerWaalsContact C-N 3.33Å; E204-R206 PolarHBondContact O-N 3.36Å; E204-L207 PolarHBondContact O-N 3.12Å; E204-A208 WeakPolarHBondContact O-CB 3.42Å; E204-A208 PolarHBondContact O-N 3.17Å |
| 205 | N | 94.8 | Very high | 94.1 | Very high | 25 Ų | 25 | 69.6 Ų | 69.6 | 13% | 0.134 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -61.3 | -42.1 | 174.4 | -81.9 | -64.9 | 0 | 0 | 0 | 112 | L201 L203 A208 G209 R210 I215 | L201-N205 WeakPolarHBondContact CD2-ND2 3.42Å; L201-N205 PolarHBondContact O-N 3.2Å; L201-N205 PolarHBondContact O-ND2 2.87Å; L203-N205 PolarHBondContact O-N 3.05Å; N205-A208 PolarHBondContact O-N 2.79Å; N205-G209 PolarHBondContact O-N 2.85Å; N205-R210 HydrophobicContact CB-CB 4.46Å; N205-R210 WeakPolarHBondContact O-CB 3.45Å; N205-R210 PolarHBondContact O-N 2.84Å; N205-R210 WeakPolarHBondContact OD1-CD 3.47Å; N205-I215 HydrophobicContact CB-CD1 4.31Å; N205-I215 HydrophobicContact CB-CG1 4.4Å |
| 206 | R | 93.3 | Very high | 94.2 | Very high | 132 Ų | 132 | 72 Ų | 72 | 50% | 0.498 | 36% | 0.359 | S | S | . | . | H | α-helix | trans | -63 | -44.1 | 177.4 | -179.6 | 59.1 | 178.6 | 167.2 | 1.6 | 111.9 | V202 L203 E204 A208 G209 Y297 F298 | V202-R206 WeakPolarHBondContact O-CB 3.38Å; V202-R206 PolarHBondContact O-N 3.12Å; L203-R206 WeakPolarHBondContact O-CB 3.39Å; L203-R206 PolarHBondContact O-N 2.7Å; L203-R206 VanDerWaalsContact O-N 3.17Å; E204-R206 VanDerWaalsContact C-N 3.33Å; E204-R206 PolarHBondContact O-N 3.36Å; R206-A208 VanDerWaalsContact C-N 3.27Å; R206-A208 PolarHBondContact O-N 2.86Å; R206-G209 PolarHBondContact O-N 3.27Å; R206-Y297 HydrophobicContact CG-CD1 4.34Å; R206-Y297 HydrophobicContact CG-CG 4.4Å; R206-F298 HydrophobicContact CB-CZ 4.29Å; R206-F298 HydrophobicContact CG-CZ 4.5Å |
| 207 | L | 94.1 | Very high | 94.2 | Very high | 116 Ų | 116 | 68.6 Ų | 68.6 | 61% | 0.607 | 35% | 0.346 | S | S | * | . | H | α-helix | trans | -66.6 | -29.9 | 177.4 | -68.5 | 175.4 | 0 | 0 | 0 | 112.2 | L203 E204 G209 Y297 | L203-L207 HydrophobicContact CD1-CD1 4.26Å; L203-L207 HydrophobicContact CD1-CG 4.18Å; L203-L207 HydrophobicContact CG-CD1 4.07Å; L203-L207 HydrophobicContact CG-CG 4.4Å; L203-L207 VanDerWaalsContact O-CG 3.32Å; L203-L207 WeakPolarHBondContact O-CG 3.45Å; L203-L207 PolarHBondContact O-N 3.11Å; E204-L207 PolarHBondContact O-N 3.12Å; L207-G209 PolarHBondContact O-N 2.73Å; L207-Y297 HydrophobicContact CD2-CE2 4.17Å |
| 208 | A | 95.4 | Very high | 94.1 | Very high | 68 Ų | 68 | 71.6 Ų | 71.6 | 56% | 0.562 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.9 | 2.1 | 171.9 | 0 | 0 | 0 | 0 | 0 | 113.8 | E204 N205 R206 R210 | E204-A208 WeakPolarHBondContact O-CB 3.42Å; E204-A208 PolarHBondContact O-N 3.17Å; N205-A208 PolarHBondContact O-N 2.79Å; R206-A208 VanDerWaalsContact C-N 3.27Å; R206-A208 PolarHBondContact O-N 2.86Å; A208-R210 HydrophobicContact CB-CG 4.37Å; A208-R210 PolarHBondContact O-N 2.82Å |
| 209 | G | 93.9 | Very high | 93.9 | Very high | 68 Ų | 68 | 74.9 Ų | 74.9 | 70% | 0.701 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 71.9 | 14.9 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | N205 R206 L207 | N205-G209 PolarHBondContact O-N 2.85Å; R206-G209 PolarHBondContact O-N 3.27Å; L207-G209 PolarHBondContact O-N 2.73Å |
| 210 | R | 94.8 | Very high | 93.7 | Very high | 147 Ų | 147 | 73.6 Ų | 73.6 | 56% | 0.555 | 38% | 0.378 | S | S | * | . | trans | -81.6 | 151.1 | 176.9 | -63.6 | 178.9 | 179.1 | -176.2 | -2 | 110.7 | N205 A208 | N205-R210 HydrophobicContact CB-CB 4.46Å; N205-R210 WeakPolarHBondContact O-CB 3.45Å; N205-R210 PolarHBondContact O-N 2.84Å; N205-R210 WeakPolarHBondContact OD1-CD 3.47Å; A208-R210 HydrophobicContact CB-CG 4.37Å; A208-R210 PolarHBondContact O-N 2.82Å | ||
| 211 | D | 91.7 | Very high | 93.4 | Very high | 90 Ų | 90 | 69.5 Ų | 69.5 | 48% | 0.481 | 37% | 0.366 | S | S | . | . | trans | -73.5 | 146.8 | 174.7 | -157.5 | -6.4 | 0 | 0 | 0 | 110.1 | D213 E214 | D211-D213 VanDerWaalsContact C-N 3.27Å; D211-D213 PolarHBondContact O-N 2.75Å; D211-E214 HydrophobicContact CB-CG 3.99Å; D211-E214 PolarHBondContact N-OE2 3.32Å; D211-E214 WeakPolarHBondContact O-CB 3.29Å; D211-E214 PolarHBondContact O-N 2.91Å | ||
| 212 | R | 92.9 | Very high | 92.9 | Very high | 25 Ų | 25 | 74.7 Ų | 74.7 | 9% | 0.094 | 39% | 0.389 | C | S | . | . | G | 310 helix | trans | -64 | -38.9 | 177.8 | 178.3 | -163.3 | 175.4 | 91.5 | -21.7 | 110.9 | G55 H57 E214 I215 L254 P255 | G55-R212 PolarHBondContact O-NE 2.88Å; G55-R212 PolarHBondContact O-NH2 2.92Å; H57-R212 PolarHBondContact CE1-O 3.13Å; R212-E214 PolarHBondContact O-N 3.43Å; R212-I215 HydrophobicContact CG-CD1 4.43Å; R212-I215 WeakPolarHBondContact O-CB 3.38Å; R212-I215 WeakPolarHBondContact O-CG1 3.34Å; R212-I215 PolarHBondContact O-N 2.84Å; R212-I215 VanDerWaalsContact O-N 3.14Å; R212-L254 HydrophobicContact CG-CD1 4.25Å; R212-L254 PolarHBondContact NH2-O 3.45Å; R212-P255 PolarHBondContact NH1-O 3.16Å; R212-P255 PolarHBondContact NH2-O 3.04Å |
| 213 | D | 91.6 | Very high | 92.5 | Very high | 96 Ų | 96 | 77 Ų | 77 | 51% | 0.513 | 40% | 0.403 | S | S | . | . | G | 310 helix | trans | -71.9 | -13.9 | -175.1 | -66.5 | -3 | 0 | 0 | 0 | 111.7 | H57 D211 I215 | H57-D213 IonicContact ND1-OD1 2.76Å; H57-D213 PolarHBondContact NE2-O 2.91Å; D211-D213 VanDerWaalsContact C-N 3.27Å; D211-D213 PolarHBondContact O-N 2.75Å; D213-I215 VanDerWaalsContact C-N 3.33Å |
| 214 | E | 93.6 | Very high | 92.1 | Very high | 124 Ų | 124 | 75.4 Ų | 75.4 | 58% | 0.579 | 40% | 0.395 | S | S | * | . | G | 310 helix | trans | -77.3 | -15.7 | 172.5 | -68.2 | 174.5 | 168.5 | 0 | 0 | 113.6 | D211 R212 K216 | D211-E214 HydrophobicContact CB-CG 3.99Å; D211-E214 PolarHBondContact N-OE2 3.32Å; D211-E214 WeakPolarHBondContact O-CB 3.29Å; D211-E214 PolarHBondContact O-N 2.91Å; R212-E214 PolarHBondContact O-N 3.43Å; E214-K216 PolarHBondContact O-N 3.01Å |
| 215 | I | 95.3 | Very high | 91.7 | Very high | 4 Ų | 4 | 72.2 Ų | 72.2 | 2% | 0.021 | 38% | 0.38 | C | S | . | . | trans | -63.8 | 127.4 | 177 | -62.5 | 167.6 | 0 | 0 | 0 | 108.4 | H57 L58 L201 V202 N205 R212 D213 L220 | H57-I215 PolarHBondContact NE2-O 2.96Å; L58-I215 HydrophobicContact CD1-CG2 4.25Å; L58-I215 WeakPolarHBondContact CD2-O 3.4Å; L201-I215 HydrophobicContact CD2-CG2 4.08Å; V202-I215 HydrophobicContact CB-CD1 4.44Å; V202-I215 HydrophobicContact CG1-CD1 4.38Å; V202-I215 HydrophobicContact CG2-CD1 3.98Å; N205-I215 HydrophobicContact CB-CD1 4.31Å; N205-I215 HydrophobicContact CB-CG1 4.4Å; R212-I215 HydrophobicContact CG-CD1 4.43Å; R212-I215 WeakPolarHBondContact O-CB 3.38Å; R212-I215 WeakPolarHBondContact O-CG1 3.34Å; R212-I215 PolarHBondContact O-N 2.84Å; R212-I215 VanDerWaalsContact O-N 3.14Å; D213-I215 VanDerWaalsContact C-N 3.33Å; I215-L220 HydrophobicContact CG2-CD1 3.79Å; I215-L220 HydrophobicContact CG2-CG 4.3Å | ||
| 216 | K | 94.4 | Very high | 91.2 | Very high | 131 Ų | 131 | 76.1 Ų | 76.1 | 57% | 0.57 | 40% | 0.397 | S | S | * | . | trans | -99.4 | 157.2 | -177.6 | -62.3 | -177.3 | -178.3 | 178.5 | 0 | 111.6 | E214 S218 D219 | E214-K216 PolarHBondContact O-N 3.01Å; K216-S218 PolarHBondContact O-N 3.2Å; K216-D219 WeakPolarHBondContact CB-OD2 3.47Å; K216-D219 PolarHBondContact N-OD2 3.01Å; K216-D219 WeakPolarHBondContact O-CB 3.16Å; K216-D219 PolarHBondContact O-N 2.92Å; K216-D219 VanDerWaalsContact O-N 3.1Å | ||
| 217 | P | 92.9 | Very high | 90.8 | Very high | 39 Ų | 39 | 71 Ų | 71 | 25% | 0.253 | 38% | 0.382 | S | S | . | . | H | α-helix | trans | -54.6 | -36.9 | 173.2 | -23.8 | 31.1 | 0 | 0 | 0 | 113.4 | L58 L62 D219 L220 Q221 | L58-P217 HydrophobicContact CD2-CG 3.87Å; L62-P217 HydrophobicContact CD1-CB 4.29Å; L62-P217 HydrophobicContact CD1-CG 4.45Å; L62-P217 HydrophobicContact CD2-CB 4.3Å; L62-P217 HydrophobicContact CD2-CG 4.16Å; L62-P217 HydrophobicContact CG-CG 4.44Å; P217-D219 PolarHBondContact O-N 3.47Å; P217-L220 PolarHBondContact O-N 3.33Å; P217-Q221 WeakPolarHBondContact O-CB 3.4Å; P217-Q221 PolarHBondContact O-N 3.43Å |
| 218 | S | 91.8 | Very high | 90.2 | Very high | 78 Ų | 78 | 65.4 Ų | 65.4 | 55% | 0.545 | 35% | 0.353 | S | S | . | . | H | α-helix | trans | -60 | -32.4 | 179.6 | 50.6 | 0 | 0 | 0 | 0 | 113.1 | K216 L220 | K216-S218 PolarHBondContact O-N 3.2Å; S218-L220 VanDerWaalsContact C-N 3.27Å; S218-L220 PolarHBondContact O-N 2.73Å |
| 219 | D | 91 | Very high | 89.6 | Confident | 71 Ų | 71 | 65.2 Ų | 65.2 | 38% | 0.38 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -72.5 | -26.9 | -175.9 | -51.8 | -28.4 | 0 | 0 | 0 | 111.3 | L201 K216 P217 | L201-D219 HydrophobicContact CD1-CB 4.4Å; L201-D219 WeakPolarHBondContact CD1-O 3.4Å; K216-D219 WeakPolarHBondContact CB-OD2 3.47Å; K216-D219 PolarHBondContact N-OD2 3.01Å; K216-D219 WeakPolarHBondContact O-CB 3.16Å; K216-D219 PolarHBondContact O-N 2.92Å; K216-D219 VanDerWaalsContact O-N 3.1Å; P217-D219 PolarHBondContact O-N 3.47Å |
| 220 | L | 92.1 | Very high | 89 | Confident | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -104.5 | -22.4 | -175.8 | -75.1 | 165 | 0 | 0 | 0 | 113.5 | L58 I198 L201 I215 P217 S218 E222 V223 V224 P252 L254 | L58-L220 HydrophobicContact CD1-CD1 3.65Å; I198-L220 HydrophobicContact CB-CD2 4.34Å; I198-L220 HydrophobicContact CG1-CD2 4.12Å; I198-L220 HydrophobicContact CG2-CD2 4.29Å; L201-L220 HydrophobicContact CB-CD2 4.21Å; L201-L220 HydrophobicContact CD1-CD2 4.01Å; L201-L220 HydrophobicContact CD1-CG 4.44Å; L201-L220 HydrophobicContact CD2-CD2 3.84Å; L201-L220 HydrophobicContact CD2-CG 4.1Å; L201-L220 HydrophobicContact CG-CD2 4.24Å; I215-L220 HydrophobicContact CG2-CD1 3.79Å; I215-L220 HydrophobicContact CG2-CG 4.3Å; P217-L220 PolarHBondContact O-N 3.33Å; S218-L220 VanDerWaalsContact C-N 3.27Å; S218-L220 PolarHBondContact O-N 2.73Å; L220-E222 PolarHBondContact O-N 3.49Å; L220-V223 PolarHBondContact O-N 3.16Å; L220-V224 HydrophobicContact CB-CG2 4.47Å; L220-V224 WeakPolarHBondContact O-CB 3.29Å; L220-V224 VanDerWaalsContact O-CG2 3.24Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.4Å; L220-P252 HydrophobicContact CB-CB 4.28Å; L220-P252 HydrophobicContact CB-CG 4.2Å; L220-P252 HydrophobicContact CD1-CB 3.96Å; L220-P252 HydrophobicContact CD1-CG 3.98Å; L220-L254 HydrophobicContact CD1-CD2 3.47Å; L220-L254 VanDerWaalsContact CD1-CD2 3.47Å |
| 221 | Q | 86.7 | Confident | 88.1 | Confident | 69 Ų | 69 | 60.9 Ų | 60.9 | 32% | 0.322 | 32% | 0.316 | S | S | . | . | H | α-helix | trans | -58.4 | -51.6 | -171.2 | -177.5 | 163.5 | 3.3 | 0 | 0 | 112.4 | P217 Q225 | P217-Q221 WeakPolarHBondContact O-CB 3.4Å; P217-Q221 PolarHBondContact O-N 3.43Å; Q221-Q225 WeakPolarHBondContact O-CB 3.33Å; Q221-Q225 WeakPolarHBondContact O-CG 3.37Å; Q221-Q225 PolarHBondContact O-N 3.33Å |
| 222 | E | 85.7 | Confident | 87.1 | Confident | 134 Ų | 134 | 64.6 Ų | 64.6 | 63% | 0.626 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -64.6 | -45.3 | 179.5 | -175.6 | 175.5 | -172.3 | 0 | 0 | 111.3 | L220 V224 Q225 Q226 | L220-E222 PolarHBondContact O-N 3.49Å; E222-V224 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 2.97Å; E222-Q225 PolarHBondContact O-N 2.78Å; E222-Q226 HydrophobicContact CG-CG 4.3Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.28Å; E222-Q226 PolarHBondContact O-N 3.45Å |
| 223 | V | 86.5 | Confident | 86 | Confident | 52 Ų | 52 | 67.8 Ų | 67.8 | 32% | 0.315 | 35% | 0.35 | S | S | . | . | H | α-helix | trans | -60.8 | -43.5 | -178.8 | 176.3 | 0 | 0 | 0 | 0 | 111.6 | A197 L201 L220 S227 | A197-V223 HydrophobicContact CB-CG1 3.33Å; L201-V223 HydrophobicContact CD1-CG2 4.44Å; L220-V223 PolarHBondContact O-N 3.16Å; V223-S227 WeakPolarHBondContact O-CB 3.19Å; V223-S227 PolarHBondContact O-N 3.4Å; V223-S227 VanDerWaalsContact O-N 3.08Å; V223-S227 PolarHBondContact O-OG 2.76Å |
| 224 | V | 87.3 | Confident | 85.1 | Confident | 1 Ų | 1 | 63.5 Ų | 63.5 | 1% | 0.006 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -68 | -47 | 177.2 | 171.7 | 0 | 0 | 0 | 0 | 110.5 | H85 I198 L220 E222 Q226 S227 V228 F250 P252 | H85-V224 HydrophobicContact CB-CG1 3.78Å; I198-V224 HydrophobicContact CD1-CG2 3.78Å; I198-V224 HydrophobicContact CG1-CG2 3.59Å; L220-V224 HydrophobicContact CB-CG2 4.47Å; L220-V224 WeakPolarHBondContact O-CB 3.29Å; L220-V224 VanDerWaalsContact O-CG2 3.24Å; L220-V224 WeakPolarHBondContact O-CG2 3.42Å; L220-V224 PolarHBondContact O-N 3.4Å; E222-V224 VanDerWaalsContact C-N 3.34Å; E222-V224 PolarHBondContact O-N 2.97Å; V224-Q226 PolarHBondContact O-N 3.46Å; V224-S227 PolarHBondContact O-N 3.08Å; V224-V228 HydrophobicContact CG1-CG2 4.33Å; V224-V228 VanDerWaalsContact O-CG2 3.28Å; V224-V228 WeakPolarHBondContact O-CG2 3.22Å; V224-V228 PolarHBondContact O-N 2.82Å; V224-F250 HydrophobicContact CG1-CB 4.42Å; V224-F250 HydrophobicContact CG1-CD1 4.19Å; V224-P252 HydrophobicContact CG2-CB 4.41Å |
| 225 | Q | 85.4 | Confident | 84.1 | Confident | 46 Ų | 46 | 57.7 Ų | 57.7 | 22% | 0.215 | 30% | 0.301 | C | S | . | . | H | α-helix | trans | -56.6 | -52.4 | 177.9 | -77.4 | 176 | -7.3 | 0 | 0 | 111.5 | Q221 E222 S227 V228 Y229 F250 | Q221-Q225 WeakPolarHBondContact O-CB 3.33Å; Q221-Q225 WeakPolarHBondContact O-CG 3.37Å; Q221-Q225 PolarHBondContact O-N 3.33Å; E222-Q225 PolarHBondContact O-N 2.78Å; Q225-S227 VanDerWaalsContact C-N 3.27Å; Q225-S227 PolarHBondContact O-N 1.99Å; Q225-V228 PolarHBondContact O-N 3.42Å; Q225-V228 VanDerWaalsContact O-N 3.11Å; Q225-Y229 HydrophobicContact CB-CE1 4.42Å; Q225-Y229 HydrophobicContact CB-CE2 4.3Å; Q225-Y229 WeakPolarHBondContact O-CB 3.22Å; Q225-Y229 WeakPolarHBondContact O-CD1 3.26Å; Q225-Y229 PolarHBondContact O-N 2.95Å; Q225-F250 HydrophobicContact CG-CD1 4.41Å; Q225-F250 HydrophobicContact CG-CD2 3.59Å; Q225-F250 HydrophobicContact CG-CE1 4.35Å; Q225-F250 HydrophobicContact CG-CE2 3.52Å; Q225-F250 HydrophobicContact CG-CG 4.05Å; Q225-F250 HydrophobicContact CG-CZ 3.91Å |
| 226 | Q | 85.6 | Confident | 83.3 | Confident | 107 Ų | 107 | 57.5 Ų | 57.5 | 50% | 0.5 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -59.6 | -38.3 | 178.7 | -68 | -62.1 | -19.9 | 0 | 0 | 112.3 | E222 V224 Y229 S230 | E222-Q226 HydrophobicContact CG-CG 4.3Å; E222-Q226 WeakPolarHBondContact O-CB 3.26Å; E222-Q226 VanDerWaalsContact O-CG 3.28Å; E222-Q226 WeakPolarHBondContact O-CG 3.28Å; E222-Q226 PolarHBondContact O-N 3.45Å; V224-Q226 PolarHBondContact O-N 3.46Å; Q226-Y229 PolarHBondContact O-N 3.29Å; Q226-S230 WeakPolarHBondContact O-CB 3.18Å; Q226-S230 PolarHBondContact O-N 2.98Å; Q226-S230 PolarHBondContact O-OG 3.19Å |
| 227 | S | 84.3 | Confident | 82.5 | Confident | 24 Ų | 24 | 54.9 Ų | 54.9 | 17% | 0.168 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -67.9 | -37.4 | 177.5 | -60.3 | 0 | 0 | 0 | 0 | 112.5 | A197 V223 V224 Q225 Y229 S230 N231 | A197-S227 VanDerWaalsContact CB-OG 3.24Å; A197-S227 WeakPolarHBondContact CB-OG 3.39Å; V223-S227 WeakPolarHBondContact O-CB 3.19Å; V223-S227 PolarHBondContact O-N 3.4Å; V223-S227 VanDerWaalsContact O-N 3.08Å; V223-S227 PolarHBondContact O-OG 2.76Å; V224-S227 PolarHBondContact O-N 3.08Å; Q225-S227 VanDerWaalsContact C-N 3.27Å; Q225-S227 PolarHBondContact O-N 1.99Å; S227-Y229 VanDerWaalsContact C-N 3.34Å; S227-S230 PolarHBondContact O-OG 2.02Å; S227-N231 WeakPolarHBondContact O-CB 2.85Å; S227-N231 PolarHBondContact O-N 3.11Å; S227-N231 VanDerWaalsContact O-N 3.16Å |
| 228 | V | 82.3 | Confident | 81.7 | Confident | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -68.4 | -38.7 | 174.8 | 175.7 | 0 | 0 | 0 | 0 | 110.2 | H85 A193 V224 Q225 S230 L236 I242 F250 | H85-V228 WeakPolarHBondContact CE1-CG2 2.98Å; A193-V228 HydrophobicContact CB-CG2 4.24Å; V224-V228 HydrophobicContact CG1-CG2 4.33Å; V224-V228 VanDerWaalsContact O-CG2 3.28Å; V224-V228 WeakPolarHBondContact O-CG2 3.22Å; V224-V228 PolarHBondContact O-N 2.82Å; Q225-V228 PolarHBondContact O-N 3.42Å; Q225-V228 VanDerWaalsContact O-N 3.11Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 2.95Å; V228-L236 HydrophobicContact CG1-CB 4.17Å; V228-L236 HydrophobicContact CG1-CD1 4.18Å; V228-I242 HydrophobicContact CG1-CD1 3.63Å; V228-F250 HydrophobicContact CG2-CE1 4.38Å |
| 229 | Y | 82.6 | Confident | 81.2 | Confident | 63 Ų | 63 | 54.7 Ų | 54.7 | 25% | 0.247 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -71.7 | -30 | -176.7 | -63.2 | -0.2 | 0 | 0 | 0 | 112.4 | Q225 Q226 S227 Y237 I242 F250 | Q225-Y229 HydrophobicContact CB-CE1 4.42Å; Q225-Y229 HydrophobicContact CB-CE2 4.3Å; Q225-Y229 WeakPolarHBondContact O-CB 3.22Å; Q225-Y229 WeakPolarHBondContact O-CD1 3.26Å; Q225-Y229 PolarHBondContact O-N 2.95Å; Q226-Y229 PolarHBondContact O-N 3.29Å; S227-Y229 VanDerWaalsContact C-N 3.34Å; Y229-Y237 WeakPolarHBondContact O-CD2 2.9Å; Y229-Y237 VanDerWaalsContact O-CE2 3.26Å; Y229-Y237 WeakPolarHBondContact O-CE2 2.94Å; Y229-I242 HydrophobicContact CD1-CD1 3.65Å; Y229-I242 HydrophobicContact CD1-CG1 4.41Å; Y229-I242 HydrophobicContact CD1-CG2 3.46Å; Y229-I242 VanDerWaalsContact CD1-CG2 3.46Å; Y229-I242 HydrophobicContact CE1-CB 4.2Å; Y229-I242 HydrophobicContact CE1-CD1 3.7Å; Y229-I242 HydrophobicContact CE1-CG1 4.05Å; Y229-I242 HydrophobicContact CE1-CG2 3.19Å; Y229-I242 HydrophobicContact CE2-CG2 4.29Å; Y229-I242 HydrophobicContact CG-CG2 4.14Å; Y229-F250 HydrophobicContact CE1-CZ 4.25Å |
| 230 | S | 79.8 | Confident | 80.9 | Confident | 80 Ų | 80 | 51.9 Ų | 51.9 | 56% | 0.559 | 26% | 0.264 | S | S | * | . | H | α-helix | trans | -93.8 | -16.7 | -178.5 | 56.4 | 0 | 0 | 0 | 0 | 114.1 | Q226 S227 V228 K232 | Q226-S230 WeakPolarHBondContact O-CB 3.18Å; Q226-S230 PolarHBondContact O-N 2.98Å; Q226-S230 PolarHBondContact O-OG 3.19Å; S227-S230 PolarHBondContact O-OG 2.02Å; V228-S230 VanDerWaalsContact C-N 3.33Å; V228-S230 PolarHBondContact O-N 2.95Å; S230-K232 PolarHBondContact O-N 3.17Å; S230-K232 VanDerWaalsContact O-N 3.09Å |
| 231 | N | 76.8 | Confident | 80.7 | Confident | 44 Ų | 44 | 51.9 Ų | 51.9 | 24% | 0.235 | 26% | 0.264 | C | S | . | . | trans | -78.8 | 98.6 | -174.8 | -176.4 | 7.7 | 0 | 0 | 0 | 112.3 | S227 T233 S234 Y237 | S227-N231 WeakPolarHBondContact O-CB 2.85Å; S227-N231 PolarHBondContact O-N 3.11Å; S227-N231 VanDerWaalsContact O-N 3.16Å; N231-T233 PolarHBondContact ND2-OG1 3.25Å; N231-T233 PolarHBondContact O-N 3.47Å; N231-T233 PolarHBondContact OD1-N 3.49Å; N231-T233 VanDerWaalsContact OD1-N 3.15Å; N231-T233 PolarHBondContact OD1-OG1 3.05Å; N231-S234 WeakPolarHBondContact O-CB 3.12Å; N231-S234 PolarHBondContact O-N 3.21Å; N231-Y237 VanDerWaalsContact O-CB 3.27Å; N231-Y237 WeakPolarHBondContact O-CB 3.33Å; N231-Y237 WeakPolarHBondContact O-CD2 3.36Å | ||
| 232 | K | 71.8 | Confident | 80.7 | Confident | 168 Ų | 168 | 49.4 Ų | 49.4 | 73% | 0.73 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -55.2 | -21.9 | 179.2 | -63.4 | -177.1 | -179 | 179.5 | 0 | 115.5 | S230 Y237 | S230-K232 PolarHBondContact O-N 3.17Å; S230-K232 VanDerWaalsContact O-N 3.09Å; K232-Y237 HydrophobicContact CB-CD1 4.49Å; K232-Y237 HydrophobicContact CB-CE1 4.34Å; K232-Y237 HydrophobicContact CG-CE1 3.97Å; K232-Y237 HydrophobicContact CG-CE2 4.06Å |
| 233 | T | 68.1 | Low | 80.6 | Confident | 93 Ų | 93 | 49.4 Ų | 49.4 | 57% | 0.571 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -90.7 | -9.8 | 178.2 | 64.5 | 0 | 0 | 0 | 0 | 112.9 | E157 N231 | E157-T233 CarbonylContact C-O 3.19Å; E157-T233 WeakPolarHBondContact CA-O 3.33Å; N231-T233 PolarHBondContact ND2-OG1 3.25Å; N231-T233 PolarHBondContact O-N 3.47Å; N231-T233 PolarHBondContact OD1-N 3.49Å; N231-T233 VanDerWaalsContact OD1-N 3.15Å; N231-T233 PolarHBondContact OD1-OG1 3.05Å |
| 234 | S | 73.6 | Confident | 80.6 | Confident | 6 Ų | 6 | 51.6 Ų | 51.6 | 4% | 0.042 | 26% | 0.259 | C | S | . | . | S | Bend | trans | -70.3 | 133.9 | 175.2 | -172.5 | 0 | 0 | 0 | 0 | 110.4 | N231 L236 Y237 | N231-S234 WeakPolarHBondContact O-CB 3.12Å; N231-S234 PolarHBondContact O-N 3.21Å; S234-L236 PolarHBondContact O-N 2.84Å; S234-L236 VanDerWaalsContact O-N 3.11Å; S234-L236 PolarHBondContact OG-N 3.42Å; S234-Y237 WeakPolarHBondContact O-CB 3.44Å; S234-Y237 PolarHBondContact O-N 2.78Å |
| 235 | G | 72.4 | Confident | 80.7 | Confident | 2 Ų | 2 | 56.8 Ų | 56.8 | 2% | 0.021 | 29% | 0.287 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -60.9 | -17.5 | 169.6 | 0 | 0 | 0 | 0 | 0 | 114.1 | M156 I164 | M156-G235 WeakPolarHBondContact O-CA 3.38Å; M156-G235 PolarHBondContact O-N 3.32Å; I164-G235 VanDerWaalsContact CG2-O 3.25Å; I164-G235 WeakPolarHBondContact CG2-O 3.35Å |
| 236 | L | 78.1 | Confident | 81 | Confident | 0 Ų | 0 | 55.1 Ų | 55.1 | 0% | 0 | 28% | 0.279 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -87.2 | -9.5 | 173.8 | -63.5 | 171.8 | 0 | 0 | 0 | 112.8 | M156 I164 F189 V228 S234 L238 S239 I242 I247 | M156-L236 HydrophobicContact CE-CD2 3.89Å; M156-L236 HydrophobicContact CE-CG 3.88Å; I164-L236 HydrophobicContact CG2-CD2 4.32Å; F189-L236 HydrophobicContact CD2-CD1 4.44Å; F189-L236 HydrophobicContact CD2-CD2 4.2Å; F189-L236 HydrophobicContact CE2-CD2 4.32Å; V228-L236 HydrophobicContact CG1-CB 4.17Å; V228-L236 HydrophobicContact CG1-CD1 4.18Å; S234-L236 PolarHBondContact O-N 2.84Å; S234-L236 VanDerWaalsContact O-N 3.11Å; S234-L236 PolarHBondContact OG-N 3.42Å; L236-L238 PolarHBondContact O-N 3.48Å; L236-S239 VanDerWaalsContact O-CB 3.24Å; L236-S239 WeakPolarHBondContact O-CB 3.46Å; L236-S239 PolarHBondContact O-N 2.78Å; L236-S239 PolarHBondContact O-OG 3.37Å; L236-I242 HydrophobicContact CB-CD1 3.62Å; L236-I242 HydrophobicContact CB-CG1 4.34Å; L236-I242 WeakPolarHBondContact O-CD1 3.5Å; L236-I247 HydrophobicContact CD1-CD1 4.37Å |
| 237 | Y | 78.4 | Confident | 81.4 | Confident | 76 Ų | 76 | 50.9 Ų | 50.9 | 30% | 0.298 | 26% | 0.26 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -57.6 | 123 | -179.6 | -179 | -108.9 | 0 | 0 | 0 | 111.3 | Y229 N231 K232 S234 S239 | Y229-Y237 WeakPolarHBondContact O-CD2 2.9Å; Y229-Y237 VanDerWaalsContact O-CE2 3.26Å; Y229-Y237 WeakPolarHBondContact O-CE2 2.94Å; N231-Y237 VanDerWaalsContact O-CB 3.27Å; N231-Y237 WeakPolarHBondContact O-CB 3.33Å; N231-Y237 WeakPolarHBondContact O-CD2 3.36Å; K232-Y237 HydrophobicContact CB-CD1 4.49Å; K232-Y237 HydrophobicContact CB-CE1 4.34Å; K232-Y237 HydrophobicContact CG-CE1 3.97Å; K232-Y237 HydrophobicContact CG-CE2 4.06Å; S234-Y237 WeakPolarHBondContact O-CB 3.44Å; S234-Y237 PolarHBondContact O-N 2.78Å; Y237-S239 PolarHBondContact O-N 3.18Å |
| 238 | L | 75.6 | Confident | 81.9 | Confident | 110 Ų | 110 | 51.5 Ų | 51.5 | 58% | 0.576 | 26% | 0.263 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 55 | 15.6 | -175.1 | -59.3 | 175.1 | 0 | 0 | 0 | 114.8 | L236 Q243 | L236-L238 PolarHBondContact O-N 3.48Å; L238-Q243 PolarHBondContact O-NE2 2.74Å |
| 239 | S | 82.3 | Confident | 82.5 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.014 | 27% | 0.272 | C | S | . | . | trans | -65 | 145.7 | 176.8 | 65.4 | 0 | 0 | 0 | 0 | 111.2 | D165 L236 Y237 I241 I242 Q243 | D165-S239 WeakPolarHBondContact OD1-CA 3.48Å; D165-S239 WeakPolarHBondContact OD1-CB 3.23Å; L236-S239 VanDerWaalsContact O-CB 3.24Å; L236-S239 WeakPolarHBondContact O-CB 3.46Å; L236-S239 PolarHBondContact O-N 2.78Å; L236-S239 PolarHBondContact O-OG 3.37Å; Y237-S239 PolarHBondContact O-N 3.18Å; S239-I241 PolarHBondContact O-N 3.19Å; S239-I242 PolarHBondContact O-N 2.85Å; S239-I242 VanDerWaalsContact O-N 3.16Å; S239-I242 PolarHBondContact OG-N 3.47Å; S239-Q243 WeakPolarHBondContact O-CG 3.38Å; S239-Q243 PolarHBondContact O-N 2.74Å; S239-Q243 VanDerWaalsContact O-N 3.16Å | ||
| 240 | S | 84.6 | Confident | 83.1 | Confident | 13 Ų | 13 | 51.6 Ų | 51.6 | 9% | 0.091 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -51.5 | -36.4 | 168.6 | 55.1 | 0 | 0 | 0 | 0 | 112.5 | D165 E168 I242 Q243 Q244 | D165-S240 WeakPolarHBondContact CB-OG 3.47Å; D165-S240 PolarHBondContact OD1-N 3.06Å; D165-S240 PolarHBondContact OD1-OG 3.12Å; E168-S240 WeakPolarHBondContact OE2-CB 3.4Å; E168-S240 PolarHBondContact OE2-OG 3.3Å; S240-I242 VanDerWaalsContact C-N 3.29Å; S240-I242 PolarHBondContact O-N 2.8Å; S240-Q243 PolarHBondContact O-N 3.32Å; S240-Q244 WeakPolarHBondContact O-CB 3.47Å; S240-Q244 WeakPolarHBondContact O-CG 3.49Å; S240-Q244 PolarHBondContact O-N 2.96Å |
| 241 | I | 87.4 | Confident | 84 | Confident | 0 Ų | 0 | 47.8 Ų | 47.8 | 0% | 0 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -56.5 | -43.6 | 179 | -61.9 | -179.7 | 0 | 0 | 0 | 111.3 | I164 L167 L171 F189 S239 N245 L246 I247 | I164-I241 HydrophobicContact CB-CD1 4.38Å; I164-I241 HydrophobicContact CG1-CD1 3.65Å; I164-I241 HydrophobicContact CG2-CD1 4.1Å; L167-I241 HydrophobicContact CB-CD1 4.46Å; L171-I241 HydrophobicContact CD1-CD1 3.65Å; L171-I241 HydrophobicContact CD1-CG1 3.89Å; L171-I241 HydrophobicContact CD1-CG2 3.98Å; F189-I241 HydrophobicContact CE2-CD1 4.38Å; F189-I241 HydrophobicContact CE2-CG2 4.24Å; F189-I241 HydrophobicContact CZ-CD1 4.23Å; S239-I241 PolarHBondContact O-N 3.19Å; I241-N245 PolarHBondContact O-N 2.8Å; I241-L246 HydrophobicContact CG2-CB 4.09Å; I241-L246 PolarHBondContact O-N 3.44Å; I241-I247 HydrophobicContact CG2-CG1 4.07Å |
| 242 | I | 85.4 | Confident | 84.9 | Confident | 16 Ų | 16 | 46 Ų | 46 | 8% | 0.082 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -74.6 | -45.9 | 177.6 | -73.8 | -173.9 | 0 | 0 | 0 | 110.9 | V228 Y229 L236 S239 S240 Q244 N245 I247 | V228-I242 HydrophobicContact CG1-CD1 3.63Å; Y229-I242 HydrophobicContact CD1-CD1 3.65Å; Y229-I242 HydrophobicContact CD1-CG1 4.41Å; Y229-I242 HydrophobicContact CD1-CG2 3.46Å; Y229-I242 VanDerWaalsContact CD1-CG2 3.46Å; Y229-I242 HydrophobicContact CE1-CB 4.2Å; Y229-I242 HydrophobicContact CE1-CD1 3.7Å; Y229-I242 HydrophobicContact CE1-CG1 4.05Å; Y229-I242 HydrophobicContact CE1-CG2 3.19Å; Y229-I242 HydrophobicContact CE2-CG2 4.29Å; Y229-I242 HydrophobicContact CG-CG2 4.14Å; L236-I242 HydrophobicContact CB-CD1 3.62Å; L236-I242 HydrophobicContact CB-CG1 4.34Å; L236-I242 WeakPolarHBondContact O-CD1 3.5Å; S239-I242 PolarHBondContact O-N 2.85Å; S239-I242 VanDerWaalsContact O-N 3.16Å; S239-I242 PolarHBondContact OG-N 3.47Å; S240-I242 VanDerWaalsContact C-N 3.29Å; S240-I242 PolarHBondContact O-N 2.8Å; I242-Q244 PolarHBondContact O-N 3.02Å; I242-N245 PolarHBondContact O-N 2.65Å; I242-I247 HydrophobicContact CG1-CD1 4.2Å |
| 243 | Q | 84 | Confident | 86.2 | Confident | 134 Ų | 134 | 38 Ų | 38 | 63% | 0.626 | 19% | 0.192 | S | C | * | . | H | α-helix | trans | -58.7 | -33.4 | -178.5 | -67.6 | 175.8 | 6 | 0 | 0 | 112.5 | L238 S239 S240 | L238-Q243 PolarHBondContact O-NE2 2.74Å; S239-Q243 WeakPolarHBondContact O-CG 3.38Å; S239-Q243 PolarHBondContact O-N 2.74Å; S239-Q243 VanDerWaalsContact O-N 3.16Å; S240-Q243 PolarHBondContact O-N 3.32Å |
| 244 | Q | 86.3 | Confident | 87.6 | Confident | 98 Ų | 98 | 33.5 Ų | 33.5 | 46% | 0.458 | 17% | 0.165 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -94.4 | 6.7 | 179.2 | -64.6 | -173.9 | 19.6 | 0 | 0 | 114.1 | E168 S240 I242 L246 | E168-Q244 PolarHBondContact OE1-NE2 2.84Å; E168-Q244 PolarHBondContact OE1-OE1 3.3Å; S240-Q244 WeakPolarHBondContact O-CB 3.47Å; S240-Q244 WeakPolarHBondContact O-CG 3.49Å; S240-Q244 PolarHBondContact O-N 2.96Å; I242-Q244 PolarHBondContact O-N 3.02Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 HydrophobicContact CB-CD1 4.13Å; Q244-L246 HydrophobicContact CB-CD2 4.06Å; Q244-L246 HydrophobicContact CB-CG 3.77Å; Q244-L246 PolarHBondContact O-N 3.22Å |
| 245 | N | 89.3 | Confident | 88.7 | Confident | 110 Ų | 110 | 33.3 Ų | 33.3 | 59% | 0.588 | 16% | 0.164 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 51.7 | 44.8 | -178.3 | -64.1 | -55.5 | 0 | 0 | 0 | 113.5 | R78 I241 I242 I247 | R78-N245 PolarHBondContact NH1-O 3.38Å; I241-N245 PolarHBondContact O-N 2.8Å; I242-N245 PolarHBondContact O-N 2.65Å; N245-I247 VanDerWaalsContact C-N 3.31Å |
| 246 | L | 92.1 | Very high | 89.9 | Confident | 11 Ų | 11 | 33.4 Ų | 33.4 | 6% | 0.058 | 16% | 0.164 | C | C | . | . | trans | -82.1 | -8.2 | -177.6 | -58.4 | 179.8 | 0 | 0 | 0 | 113.4 | V81 E168 L171 I241 Q244 | V81-L246 WeakPolarHBondContact CB-O 3.2Å; V81-L246 WeakPolarHBondContact CG2-O 3.34Å; E168-L246 HydrophobicContact CB-CD1 4.47Å; E168-L246 HydrophobicContact CG-CD1 3.88Å; L171-L246 HydrophobicContact CB-CB 3.98Å; L171-L246 HydrophobicContact CB-CD1 3.89Å; L171-L246 HydrophobicContact CB-CG 4.41Å; L171-L246 HydrophobicContact CD1-CB 4.5Å; I241-L246 HydrophobicContact CG2-CB 4.09Å; I241-L246 PolarHBondContact O-N 3.44Å; Q244-L246 VanDerWaalsContact C-N 3.3Å; Q244-L246 HydrophobicContact CB-CD1 4.13Å; Q244-L246 HydrophobicContact CB-CD2 4.06Å; Q244-L246 HydrophobicContact CB-CG 3.77Å; Q244-L246 PolarHBondContact O-N 3.22Å | ||
| 247 | I | 94.1 | Very high | 90.7 | Very high | 18 Ų | 18 | 34.9 Ų | 34.9 | 9% | 0.092 | 17% | 0.172 | C | C | . | . | trans | -78.5 | 124.5 | 173.3 | -64.8 | 169.9 | 0 | 0 | 0 | 109 | V81 L236 I241 I242 N245 F250 | V81-I247 HydrophobicContact CG1-CG1 4.17Å; L236-I247 HydrophobicContact CD1-CD1 4.37Å; I241-I247 HydrophobicContact CG2-CG1 4.07Å; I242-I247 HydrophobicContact CG1-CD1 4.2Å; N245-I247 VanDerWaalsContact C-N 3.31Å; I247-F250 HydrophobicContact CB-CE2 4.12Å; I247-F250 HydrophobicContact CB-CZ 4.23Å; I247-F250 HydrophobicContact CD1-CE1 3.82Å; I247-F250 HydrophobicContact CD1-CE2 4.27Å; I247-F250 HydrophobicContact CD1-CZ 3.51Å; I247-F250 HydrophobicContact CG1-CZ 4.45Å; I247-F250 HydrophobicContact CG2-CD2 3.99Å; I247-F250 HydrophobicContact CG2-CE1 4.43Å; I247-F250 HydrophobicContact CG2-CE2 3.79Å; I247-F250 HydrophobicContact CG2-CG 4.41Å; I247-F250 HydrophobicContact CG2-CZ 4.04Å | ||
| 248 | T | 95.1 | Very high | 91.6 | Very high | 37 Ų | 37 | 35.9 Ų | 35.9 | 23% | 0.227 | 18% | 0.176 | C | C | . | . | S | Bend | trans | -70.3 | -51.4 | 176 | -47.9 | 0 | 0 | 0 | 0 | 110.5 | L80 V81 | L80-T248 HydrophobicContact CD1-CG2 3.87Å; V81-T248 PolarHBondContact N-OG1 2.69Å; V81-T248 WeakPolarHBondContact O-CA 3.36Å; V81-T248 VanDerWaalsContact O-CB 3.29Å; V81-T248 WeakPolarHBondContact O-CB 2.85Å; V81-T248 PolarHBondContact O-N 2.65Å |
| 249 | R | 95.5 | Very high | 92.5 | Very high | 51 Ų | 51 | 34.6 Ų | 34.6 | 19% | 0.192 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -145.8 | 133.2 | -176.2 | -164.6 | 72.9 | -164.6 | -159.7 | 2.9 | 112.6 | E66 V81 L82 S83 V251 | E66-R249 HydrophobicContact CG-CB 3.97Å; E66-R249 HydrophobicContact CG-CG 4.06Å; E66-R249 WeakPolarHBondContact OE1-CD 3.29Å; V81-R249 PolarHBondContact O-N 3.37Å; L82-R249 HydrophobicContact CD2-CB 3.98Å; S83-R249 PolarHBondContact N-O 3.25Å; R249-V251 HydrophobicContact CG-CG2 4.32Å |
| 250 | F | 94.9 | Very high | 93.3 | Very high | 14 Ų | 14 | 35.6 Ų | 35.6 | 6% | 0.061 | 18% | 0.177 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.5 | 127 | 163.8 | -68.3 | -92 | 0 | 0 | 0 | 109 | S83 H85 V224 Q225 V228 Y229 I247 | S83-F250 CarbonylContact O-C 3.55Å; S83-F250 WeakPolarHBondContact O-CA 3.41Å; H85-F250 AromaticContact CD2-CD1 3.68Å; H85-F250 AromaticContact NE2-CD1 3.5Å; H85-F250 AromaticContact NE2-CE1 3.83Å; V224-F250 HydrophobicContact CG1-CB 4.42Å; V224-F250 HydrophobicContact CG1-CD1 4.19Å; Q225-F250 HydrophobicContact CG-CD1 4.41Å; Q225-F250 HydrophobicContact CG-CD2 3.59Å; Q225-F250 HydrophobicContact CG-CE1 4.35Å; Q225-F250 HydrophobicContact CG-CE2 3.52Å; Q225-F250 HydrophobicContact CG-CG 4.05Å; Q225-F250 HydrophobicContact CG-CZ 3.91Å; V228-F250 HydrophobicContact CG2-CE1 4.38Å; Y229-F250 HydrophobicContact CE1-CZ 4.25Å; I247-F250 HydrophobicContact CB-CE2 4.12Å; I247-F250 HydrophobicContact CB-CZ 4.23Å; I247-F250 HydrophobicContact CD1-CE1 3.82Å; I247-F250 HydrophobicContact CD1-CE2 4.27Å; I247-F250 HydrophobicContact CD1-CZ 3.51Å; I247-F250 HydrophobicContact CG1-CZ 4.45Å; I247-F250 HydrophobicContact CG2-CD2 3.99Å; I247-F250 HydrophobicContact CG2-CE1 4.43Å; I247-F250 HydrophobicContact CG2-CE2 3.79Å; I247-F250 HydrophobicContact CG2-CG 4.41Å; I247-F250 HydrophobicContact CG2-CZ 4.04Å |
| 251 | V | 97.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 17% | 0.173 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -114.8 | 105.3 | -177 | -173.1 | 0 | 0 | 0 | 0 | 108.9 | A59 L62 V63 L82 S83 F84 H85 R249 F253 | A59-V251 HydrophobicContact CB-CG1 3.68Å; L62-V251 HydrophobicContact CB-CG1 4.5Å; L62-V251 HydrophobicContact CB-CG2 4.49Å; V63-V251 HydrophobicContact CG2-CG1 4.05Å; V63-V251 HydrophobicContact CG2-CG2 4.24Å; L82-V251 HydrophobicContact CD2-CG2 4.46Å; S83-V251 PolarHBondContact O-N 3.21Å; F84-V251 WeakPolarHBondContact CA-O 3.36Å; F84-V251 HydrophobicContact CD1-CB 3.67Å; F84-V251 HydrophobicContact CD1-CG1 4.27Å; F84-V251 HydrophobicContact CD1-CG2 3.86Å; F84-V251 HydrophobicContact CE1-CB 4.06Å; F84-V251 HydrophobicContact CE1-CG1 4.41Å; F84-V251 HydrophobicContact CE1-CG2 3.86Å; H85-V251 PolarHBondContact N-O 3.33Å; R249-V251 HydrophobicContact CG-CG2 4.32Å; V251-F253 HydrophobicContact CB-CE2 4.36Å; V251-F253 HydrophobicContact CG1-CD2 4.43Å; V251-F253 HydrophobicContact CG1-CE2 3.83Å; V251-F253 WeakPolarHBondContact O-CD2 3.4Å |
| 252 | P | 97.1 | Very high | 94.4 | Very high | 6 Ų | 6 | 37 Ų | 37 | 4% | 0.039 | 18% | 0.182 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -77.6 | 138.8 | 178.9 | 31.2 | -33.5 | 0 | 0 | 0 | 111.5 | L58 H85 I198 L220 V224 | L58-P252 HydrophobicContact CB-CG 4.35Å; L58-P252 HydrophobicContact CD1-CG 3.95Å; H85-P252 CarbonylContact O-C 3.57Å; H85-P252 WeakPolarHBondContact O-CA 3.41Å; I198-P252 HydrophobicContact CD1-CB 4.29Å; L220-P252 HydrophobicContact CB-CB 4.28Å; L220-P252 HydrophobicContact CB-CG 4.2Å; L220-P252 HydrophobicContact CD1-CB 3.96Å; L220-P252 HydrophobicContact CD1-CG 3.98Å; V224-P252 HydrophobicContact CG2-CB 4.41Å |
| 253 | F | 97.9 | Very high | 95 | Very high | 0 Ų | 0 | 42.2 Ų | 42.2 | 0% | 0 | 20% | 0.201 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.9 | 113.2 | 172.9 | -76.4 | -106 | 0 | 0 | 0 | 108.9 | Q56 A59 F84 H85 G86 K92 V95 V251 | Q56-F253 HydrophobicContact CG-CD1 4.16Å; Q56-F253 VanDerWaalsContact OE1-CA 3.28Å; A59-F253 HydrophobicContact CB-CD1 4.34Å; A59-F253 HydrophobicContact CB-CD2 4.41Å; A59-F253 HydrophobicContact CB-CE1 3.94Å; A59-F253 HydrophobicContact CB-CE2 4.01Å; A59-F253 HydrophobicContact CB-CZ 3.77Å; F84-F253 HydrophobicContact CB-CD2 4.24Å; F84-F253 HydrophobicContact CB-CE2 3.71Å; F84-F253 HydrophobicContact CD1-CE2 4.12Å; F84-F253 HydrophobicContact CD2-CE2 4.04Å; F84-F253 HydrophobicContact CD2-CZ 4.12Å; F84-F253 HydrophobicContact CE2-CZ 4.49Å; F84-F253 AromaticContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CE2 3.7Å; F84-F253 HydrophobicContact CG-CZ 4.25Å; H85-F253 PolarHBondContact O-N 3.49Å; G86-F253 WeakPolarHBondContact CA-O 3.26Å; K92-F253 HydrophobicContact CB-CE1 4.4Å; K92-F253 HydrophobicContact CB-CE2 4.48Å; K92-F253 HydrophobicContact CB-CZ 4.34Å; K92-F253 HydrophobicContact CD-CD2 4.17Å; K92-F253 HydrophobicContact CD-CG 4.34Å; K92-F253 HydrophobicContact CG-CB 4.14Å; K92-F253 HydrophobicContact CG-CD1 3.77Å; K92-F253 HydrophobicContact CG-CD2 3.55Å; K92-F253 HydrophobicContact CG-CE1 3.99Å; K92-F253 HydrophobicContact CG-CE2 3.79Å; K92-F253 HydrophobicContact CG-CG 3.53Å; K92-F253 HydrophobicContact CG-CZ 4Å; V95-F253 HydrophobicContact CB-CE1 4.43Å; V95-F253 HydrophobicContact CB-CZ 4.1Å; V95-F253 HydrophobicContact CG1-CZ 4.42Å; V95-F253 HydrophobicContact CG2-CE1 3.79Å; V95-F253 HydrophobicContact CG2-CZ 3.86Å; V251-F253 HydrophobicContact CB-CE2 4.36Å; V251-F253 HydrophobicContact CG1-CD2 4.43Å; V251-F253 HydrophobicContact CG1-CE2 3.83Å; V251-F253 WeakPolarHBondContact O-CD2 3.4Å |
| 254 | L | 97.6 | Very high | 95.6 | Very high | 0 Ų | 0 | 36.7 Ų | 36.7 | 0% | 0 | 18% | 0.177 | C | C | . | . | P | Polyproline II helix | trans | -79.4 | 148.5 | -172.9 | -56.7 | -172.5 | 0 | 0 | 0 | 110.8 | Q56 L58 T90 I198 V202 R212 L220 | Q56-L254 PolarHBondContact NE2-O 3.33Å; L58-L254 HydrophobicContact CD1-CD1 4.21Å; L58-L254 HydrophobicContact CD1-CD2 4.25Å; L58-L254 HydrophobicContact CD1-CG 4.42Å; T90-L254 WeakPolarHBondContact CG2-O 3.5Å; I198-L254 HydrophobicContact CG2-CD2 3.78Å; V202-L254 HydrophobicContact CG2-CD2 3.79Å; R212-L254 HydrophobicContact CG-CD1 4.25Å; R212-L254 PolarHBondContact NH2-O 3.45Å; L220-L254 HydrophobicContact CD1-CD2 3.47Å; L220-L254 VanDerWaalsContact CD1-CD2 3.47Å |
| 255 | P | 97.1 | Very high | 96.1 | Very high | 2 Ų | 2 | 32 Ų | 32 | 1% | 0.013 | 16% | 0.155 | C | C | . | . | P | Polyproline II helix | trans | -65 | 145 | 178.7 | 31.6 | -38 | 0 | 0 | 0 | 111 | V202 R212 F298 | V202-P255 HydrophobicContact CB-CG 4.25Å; V202-P255 HydrophobicContact CG1-CG 4.03Å; R212-P255 PolarHBondContact NH1-O 3.16Å; R212-P255 PolarHBondContact NH2-O 3.04Å; P255-F298 HydrophobicContact CB-CB 3.98Å; P255-F298 HydrophobicContact CB-CD1 4.37Å; P255-F298 HydrophobicContact CB-CG 4.11Å; P255-F298 HydrophobicContact CG-CB 4.41Å; P255-F298 HydrophobicContact CG-CD1 4.09Å; P255-F298 HydrophobicContact CG-CD2 4.29Å; P255-F298 HydrophobicContact CG-CG 3.99Å |
| 256 | L | 97.5 | Very high | 96.5 | Very high | 4 Ų | 4 | 30.5 Ų | 30.5 | 2% | 0.021 | 14% | 0.144 | C | C | . | . | P | Polyproline II helix | trans | -87.9 | 138.7 | -170.9 | -63.6 | -175.2 | 0 | 0 | 0 | 112.1 | F54 Q56 T90 H260 V261 F298 S299 C303 | F54-L256 WeakPolarHBondContact O-CD2 3.2Å; Q56-L256 VanDerWaalsContact NE2-CD2 3.3Å; T90-L256 HydrophobicContact CG2-CG 4.42Å; L256-H260 HydrophobicContact CB-CB 4.06Å; L256-H260 HydrophobicContact CD2-CB 4.01Å; L256-H260 HydrophobicContact CG-CB 4.45Å; L256-V261 HydrophobicContact CB-CG2 4.36Å; L256-F298 CarbonylContact O-C 3.49Å; L256-F298 VanDerWaalsContact O-CA 3.31Å; L256-F298 WeakPolarHBondContact O-CA 3.46Å; L256-S299 PolarHBondContact O-N 2.77Å; L256-C303 HydrophobicContact CD1-CB 4.39Å; L256-C303 WeakPolarHBondContact CD1-SG 3.41Å |
| 257 | T | 96.1 | Very high | 96.8 | Very high | 30 Ų | 30 | 31.2 Ų | 31.2 | 18% | 0.184 | 15% | 0.152 | C | C | . | . | P | Polyproline II helix | trans | -79.6 | 168.5 | 170.9 | 60 | 0 | 0 | 0 | 0 | 110.6 | T259 H260 V261 Y297 F298 | T257-T259 VanDerWaalsContact C-N 3.28Å; T257-T259 PolarHBondContact O-N 2.71Å; T257-T259 PolarHBondContact OG1-OG1 3.16Å; T257-H260 PolarHBondContact N-ND1 3.31Å; T257-H260 PolarHBondContact O-N 2.91Å; T257-H260 VanDerWaalsContact O-N 3.14Å; T257-H260 PolarHBondContact OG1-CE1 3.2Å; T257-H260 PolarHBondContact OG1-N 3.22Å; T257-H260 PolarHBondContact OG1-ND1 2.91Å; T257-H260 VanDerWaalsContact OG1-ND1 3.08Å; T257-V261 PolarHBondContact O-N 3.02Å; T257-V261 VanDerWaalsContact O-N 3.11Å; T257-Y297 WeakPolarHBondContact CA-O 3.16Å; T257-F298 HydrophobicContact CG2-CD1 4.24Å; T257-F298 HydrophobicContact CG2-CE1 4.2Å |
| 258 | R | 96 | Very high | 96.9 | Very high | 97 Ų | 97 | 32.7 Ų | 32.7 | 37% | 0.366 | 16% | 0.158 | S | C | . | . | H | α-helix | trans | -52.6 | -45.3 | 171.6 | 176.1 | 168.7 | 171.1 | 171.4 | 0.7 | 112.6 | H260 V261 E262 Y290 | R258-H260 VanDerWaalsContact C-N 3.29Å; R258-H260 PolarHBondContact O-N 2.97Å; R258-V261 WeakPolarHBondContact O-CA 3.17Å; R258-V261 WeakPolarHBondContact O-CB 3.18Å; R258-V261 PolarHBondContact O-N 3.15Å; R258-E262 HydrophobicContact CG-CG 4.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.38Å; R258-E262 IonicContact CZ-OE1 3.99Å; R258-E262 IonicContact NE-OE1 3.95Å; R258-E262 PolarHBondContact NE-OE1 3.44Å; R258-E262 IonicContact NH2-OE1 3.72Å; R258-E262 PolarHBondContact NH2-OE1 3.48Å; R258-E262 WeakPolarHBondContact O-CG 3.27Å; R258-E262 PolarHBondContact O-N 3.09Å; R258-Y290 WeakPolarHBondContact CA-OH 3.46Å; R258-Y290 HydrophobicContact CB-CE1 3.77Å; R258-Y290 WeakPolarHBondContact CB-OH 3.25Å; R258-Y290 WeakPolarHBondContact CG-OH 3.31Å |
| 259 | T | 95.6 | Very high | 96.9 | Very high | 84 Ų | 84 | 30.9 Ų | 30.9 | 52% | 0.515 | 15% | 0.147 | S | C | . | . | H | α-helix | trans | -60.5 | -36.6 | 179.2 | 53.7 | 0 | 0 | 0 | 0 | 112.6 | T257 R263 | T257-T259 VanDerWaalsContact C-N 3.28Å; T257-T259 PolarHBondContact O-N 2.71Å; T257-T259 PolarHBondContact OG1-OG1 3.16Å; T259-R263 WeakPolarHBondContact O-CG 3.29Å; T259-R263 PolarHBondContact O-N 3.14Å; T259-R263 VanDerWaalsContact O-N 3.1Å |
| 260 | H | 97.5 | Very high | 97 | Very high | 22 Ų | 22 | 30.5 Ų | 30.5 | 10% | 0.102 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -68.4 | -38.8 | 173.8 | -60.8 | 147.5 | 0 | 0 | 0 | 112.2 | F54 G55 L256 T257 R258 R263 C264 | F54-H260 HydrophobicContact CB-CB 4.45Å; G55-H260 WeakPolarHBondContact CA-CE1 3.28Å; G55-H260 WeakPolarHBondContact CA-NE2 3.24Å; L256-H260 HydrophobicContact CB-CB 4.06Å; L256-H260 HydrophobicContact CD2-CB 4.01Å; L256-H260 HydrophobicContact CG-CB 4.45Å; T257-H260 PolarHBondContact N-ND1 3.31Å; T257-H260 PolarHBondContact O-N 2.91Å; T257-H260 VanDerWaalsContact O-N 3.14Å; T257-H260 PolarHBondContact OG1-CE1 3.2Å; T257-H260 PolarHBondContact OG1-N 3.22Å; T257-H260 PolarHBondContact OG1-ND1 2.91Å; T257-H260 VanDerWaalsContact OG1-ND1 3.08Å; R258-H260 VanDerWaalsContact C-N 3.29Å; R258-H260 PolarHBondContact O-N 2.97Å; H260-R263 PolarHBondContact O-N 3.18Å; H260-C264 PolarHBondContact O-N 2.77Å; H260-C264 PolarHBondContact O-SG 3.11Å |
| 261 | V | 97.6 | Very high | 96.9 | Very high | 0 Ų | 0 | 37.5 Ų | 37.5 | 0% | 0 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -65.7 | -44.4 | 176.4 | 177.9 | 0 | 0 | 0 | 0 | 110.9 | L256 T257 R258 R263 C264 V265 M288 V306 | L256-V261 HydrophobicContact CB-CG2 4.36Å; T257-V261 PolarHBondContact O-N 3.02Å; T257-V261 VanDerWaalsContact O-N 3.11Å; R258-V261 WeakPolarHBondContact O-CA 3.17Å; R258-V261 WeakPolarHBondContact O-CB 3.18Å; R258-V261 PolarHBondContact O-N 3.15Å; V261-R263 VanDerWaalsContact C-N 3.28Å; V261-R263 PolarHBondContact O-N 3Å; V261-C264 WeakPolarHBondContact O-CA 3.08Å; V261-C264 VanDerWaalsContact O-CB 3.26Å; V261-C264 WeakPolarHBondContact O-CB 3.32Å; V261-C264 PolarHBondContact O-N 3.26Å; V261-V265 HydrophobicContact CG1-CG2 4.44Å; V261-V265 VanDerWaalsContact O-CG2 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 3.02Å; V261-M288 HydrophobicContact CG1-CE 4.27Å; V261-M288 HydrophobicContact CG1-CG 4.05Å; V261-V306 HydrophobicContact CG1-CG2 3.78Å |
| 262 | E | 97.7 | Very high | 96.7 | Very high | 44 Ų | 44 | 42.6 Ų | 42.6 | 21% | 0.206 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -58.2 | -40.1 | 175.1 | -73.6 | 169.9 | 171.4 | 0 | 0 | 111.6 | R258 C264 V265 H266 V281 | R258-E262 HydrophobicContact CG-CG 4.31Å; R258-E262 WeakPolarHBondContact CG-OE1 3.38Å; R258-E262 IonicContact CZ-OE1 3.99Å; R258-E262 IonicContact NE-OE1 3.95Å; R258-E262 PolarHBondContact NE-OE1 3.44Å; R258-E262 IonicContact NH2-OE1 3.72Å; R258-E262 PolarHBondContact NH2-OE1 3.48Å; R258-E262 WeakPolarHBondContact O-CG 3.27Å; R258-E262 PolarHBondContact O-N 3.09Å; E262-C264 PolarHBondContact O-N 3.25Å; E262-V265 WeakPolarHBondContact O-CB 3.46Å; E262-V265 PolarHBondContact O-N 2.87Å; E262-H266 WeakPolarHBondContact O-CB 3.5Å; E262-H266 PolarHBondContact O-N 3.21Å; E262-V281 HydrophobicContact CB-CG1 3.63Å; E262-V281 HydrophobicContact CG-CG1 3.91Å |
| 263 | R | 97.6 | Very high | 96.6 | Very high | 124 Ų | 124 | 45.7 Ų | 45.7 | 47% | 0.468 | 24% | 0.237 | S | C | . | . | H | α-helix | trans | -62.6 | -40 | 171.9 | -71.4 | 176.4 | 68.9 | 178.4 | 4.3 | 112.8 | F54 T259 H260 V261 V265 A267 | F54-R263 HydrophobicContact CD1-CB 4.26Å; F54-R263 VanDerWaalsContact CD1-CZ 3.42Å; F54-R263 VanDerWaalsContact CD1-NH2 3.28Å; F54-R263 HydrophobicContact CD2-CB 3.75Å; F54-R263 HydrophobicContact CE1-CB 4.43Å; F54-R263 HydrophobicContact CE2-CB 3.98Å; F54-R263 WeakPolarHBondContact CE2-O 3.29Å; F54-R263 HydrophobicContact CG-CB 3.9Å; F54-R263 HydrophobicContact CZ-CB 4.31Å; T259-R263 WeakPolarHBondContact O-CG 3.29Å; T259-R263 PolarHBondContact O-N 3.14Å; T259-R263 VanDerWaalsContact O-N 3.1Å; H260-R263 PolarHBondContact O-N 3.18Å; V261-R263 VanDerWaalsContact C-N 3.28Å; V261-R263 PolarHBondContact O-N 3Å; R263-V265 VanDerWaalsContact C-N 3.33Å; R263-A267 VanDerWaalsContact O-CB 3.32Å; R263-A267 WeakPolarHBondContact O-CB 3.44Å; R263-A267 PolarHBondContact O-N 2.9Å |
| 264 | C | 97.4 | Very high | 96.5 | Very high | 18 Ų | 18 | 47.9 Ų | 47.9 | 12% | 0.122 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -60.9 | -42.5 | 172.1 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | H260 V261 E262 A267 Q268 C303 V306 | H260-C264 PolarHBondContact O-N 2.77Å; H260-C264 PolarHBondContact O-SG 3.11Å; V261-C264 WeakPolarHBondContact O-CA 3.08Å; V261-C264 VanDerWaalsContact O-CB 3.26Å; V261-C264 WeakPolarHBondContact O-CB 3.32Å; V261-C264 PolarHBondContact O-N 3.26Å; E262-C264 PolarHBondContact O-N 3.25Å; C264-A267 PolarHBondContact O-N 3.23Å; C264-Q268 WeakPolarHBondContact O-CG 3.44Å; C264-Q268 PolarHBondContact O-N 3.39Å; C264-C303 HydrophobicContact CB-CB 3.65Å; C264-C303 WeakPolarHBondContact CB-SG 3.1Å; C264-C303 WeakPolarHBondContact SG-CB 3.36Å; C264-C303 CovalentContact SG-SG 2.03Å; C264-C303 PolarHBondContact SG-SG 2.94Å; C264-V306 HydrophobicContact CB-CG2 4.5Å |
| 265 | V | 97.9 | Very high | 96.3 | Very high | 0 Ų | 0 | 50.1 Ų | 50.1 | 0% | 0 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -62.2 | -52.1 | 178.8 | 179.5 | 0 | 0 | 0 | 0 | 110.1 | V261 E262 R263 A267 Q268 L269 V281 V284 V306 I310 | V261-V265 HydrophobicContact CG1-CG2 4.44Å; V261-V265 VanDerWaalsContact O-CG2 3.32Å; V261-V265 WeakPolarHBondContact O-CG2 3.41Å; V261-V265 PolarHBondContact O-N 3.02Å; E262-V265 WeakPolarHBondContact O-CB 3.46Å; E262-V265 PolarHBondContact O-N 2.87Å; R263-V265 VanDerWaalsContact C-N 3.33Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.01Å; V265-Q268 PolarHBondContact O-N 2.91Å; V265-L269 HydrophobicContact CG1-CD1 3.81Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CB 3.49Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.39Å; V265-V281 HydrophobicContact CB-CG2 4.45Å; V265-V281 HydrophobicContact CG1-CB 4.36Å; V265-V281 HydrophobicContact CG1-CG2 4Å; V265-V284 HydrophobicContact CG1-CB 4.18Å; V265-V284 HydrophobicContact CG1-CG2 4.29Å; V265-V284 HydrophobicContact CG2-CB 3.82Å; V265-V284 HydrophobicContact CG2-CG1 3.45Å; V265-V284 VanDerWaalsContact CG2-CG1 3.45Å; V265-V306 HydrophobicContact CB-CG1 4.26Å; V265-V306 HydrophobicContact CG2-CG1 3.61Å; V265-V306 HydrophobicContact CG2-CG2 4.19Å; V265-I310 HydrophobicContact CG1-CD1 4.01Å; V265-I310 HydrophobicContact CG1-CG1 3.85Å |
| 266 | H | 97.8 | Very high | 96.2 | Very high | 79 Ų | 79 | 57.3 Ų | 57.3 | 37% | 0.366 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -57.3 | -45.7 | 178.1 | 179.3 | -85.6 | 0 | 0 | 0 | 111.7 | E262 Q268 L269 C270 V281 | E262-H266 WeakPolarHBondContact O-CB 3.5Å; E262-H266 PolarHBondContact O-N 3.21Å; H266-Q268 PolarHBondContact O-N 3.38Å; H266-L269 PolarHBondContact O-N 3.44Å; H266-C270 VanDerWaalsContact CE1-SG 3.58Å; H266-C270 WeakPolarHBondContact O-CB 3.29Å; H266-C270 PolarHBondContact O-N 3.1Å; H266-V281 HydrophobicContact CB-CG2 4.06Å |
| 267 | A | 96.6 | Very high | 96.1 | Very high | 26 Ų | 26 | 61 Ų | 61 | 22% | 0.215 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -60.2 | -43.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.6 | F54 R263 C264 V265 C270 Q271 | F54-A267 HydrophobicContact CE2-CB 3.93Å; F54-A267 HydrophobicContact CZ-CB 4Å; R263-A267 VanDerWaalsContact O-CB 3.32Å; R263-A267 WeakPolarHBondContact O-CB 3.44Å; R263-A267 PolarHBondContact O-N 2.9Å; C264-A267 PolarHBondContact O-N 3.23Å; V265-A267 VanDerWaalsContact C-N 3.34Å; V265-A267 PolarHBondContact O-N 3.01Å; A267-C270 PolarHBondContact O-N 3.11Å; A267-Q271 WeakPolarHBondContact O-CG 3.47Å; A267-Q271 PolarHBondContact O-N 2.87Å; A267-Q271 VanDerWaalsContact O-N 3.1Å |
| 268 | Q | 96.1 | Very high | 96.1 | Very high | 48 Ų | 48 | 64.7 Ų | 64.7 | 22% | 0.224 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -70.1 | -37.3 | 177.5 | -72.6 | -171.9 | 19.3 | 0 | 0 | 112.9 | C264 V265 H266 C270 Q271 R272 A307 I310 | C264-Q268 WeakPolarHBondContact O-CG 3.44Å; C264-Q268 PolarHBondContact O-N 3.39Å; V265-Q268 PolarHBondContact O-N 2.91Å; H266-Q268 PolarHBondContact O-N 3.38Å; Q268-C270 VanDerWaalsContact C-N 3.32Å; Q268-Q271 PolarHBondContact O-N 2.7Å; Q268-R272 WeakPolarHBondContact O-CG 3.35Å; Q268-R272 PolarHBondContact O-N 3.25Å; Q268-A307 VanDerWaalsContact OE1-CA 3.25Å; Q268-I310 HydrophobicContact CB-CD1 3.62Å |
| 269 | L | 96.9 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.2 Ų | 64.2 | 0% | 0 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -61.2 | -43 | 173.3 | -78 | 169 | 0 | 0 | 0 | 111.2 | V265 H266 Q271 R272 G273 S274 R277 V280 V281 I310 L314 | V265-L269 HydrophobicContact CG1-CD1 3.81Å; V265-L269 HydrophobicContact CG1-CG 4.35Å; V265-L269 WeakPolarHBondContact O-CB 3.49Å; V265-L269 WeakPolarHBondContact O-CG 3.4Å; V265-L269 PolarHBondContact O-N 3.39Å; H266-L269 PolarHBondContact O-N 3.44Å; L269-Q271 PolarHBondContact O-N 3.36Å; L269-R272 CarbonylContact O-C 3.59Å; L269-R272 WeakPolarHBondContact O-CA 3.41Å; L269-R272 PolarHBondContact O-N 2.99Å; L269-G273 PolarHBondContact O-N 3.37Å; L269-S274 PolarHBondContact O-N 2.98Å; L269-R277 HydrophobicContact CD1-CB 4.11Å; L269-R277 HydrophobicContact CD2-CB 4.43Å; L269-V280 HydrophobicContact CD1-CB 4.11Å; L269-V280 HydrophobicContact CD1-CG1 4.16Å; L269-V280 HydrophobicContact CD2-CG1 4.3Å; L269-V281 HydrophobicContact CD1-CG2 3.74Å; L269-I310 HydrophobicContact CD2-CG2 3.8Å; L269-I310 HydrophobicContact CG-CD1 4.42Å; L269-I310 HydrophobicContact CG-CG2 4.47Å; L269-L314 HydrophobicContact CD2-CD1 4.25Å; L269-L314 HydrophobicContact CD2-CD2 4.21Å |
| 270 | C | 96 | Very high | 96.2 | Very high | 42 Ų | 42 | 60.3 Ų | 60.3 | 28% | 0.284 | 32% | 0.319 | S | S | . | . | H | α-helix | trans | -61.7 | -40.3 | 174.8 | -82.8 | 0 | 0 | 0 | 0 | 113.4 | H266 A267 Q268 R272 G273 C275 | H266-C270 VanDerWaalsContact CE1-SG 3.58Å; H266-C270 WeakPolarHBondContact O-CB 3.29Å; H266-C270 PolarHBondContact O-N 3.1Å; A267-C270 PolarHBondContact O-N 3.11Å; Q268-C270 VanDerWaalsContact C-N 3.32Å; C270-R272 PolarHBondContact O-N 3.02Å; C270-G273 PolarHBondContact O-N 3.28Å; C270-C275 WeakPolarHBondContact CA-SG 3.48Å; C270-C275 HydrophobicContact CB-CB 4.29Å; C270-C275 WeakPolarHBondContact CB-SG 3.32Å; C270-C275 VanDerWaalsContact SG-CA 3.52Å; C270-C275 WeakPolarHBondContact SG-CB 3.35Å; C270-C275 CovalentContact SG-SG 2.04Å; C270-C275 PolarHBondContact SG-SG 2.87Å |
| 271 | Q | 93.8 | Very high | 96.2 | Very high | 161 Ų | 161 | 60 Ų | 60 | 75% | 0.752 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -62.1 | -26.9 | 173.8 | -71.2 | 172.2 | 5.9 | 0 | 0 | 112.7 | A267 Q268 L269 | A267-Q271 WeakPolarHBondContact O-CG 3.47Å; A267-Q271 PolarHBondContact O-N 2.87Å; A267-Q271 VanDerWaalsContact O-N 3.1Å; Q268-Q271 PolarHBondContact O-N 2.7Å; L269-Q271 PolarHBondContact O-N 3.36Å |
| 272 | R | 93.9 | Very high | 96.2 | Very high | 107 Ų | 107 | 66.4 Ų | 66.4 | 40% | 0.404 | 35% | 0.348 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.9 | 2 | 174.7 | -61.9 | 179.2 | -167.9 | -165 | 6.8 | 113.6 | Q268 L269 C270 A307 S311 | Q268-R272 WeakPolarHBondContact O-CG 3.35Å; Q268-R272 PolarHBondContact O-N 3.25Å; L269-R272 CarbonylContact O-C 3.59Å; L269-R272 WeakPolarHBondContact O-CA 3.41Å; L269-R272 PolarHBondContact O-N 2.99Å; C270-R272 PolarHBondContact O-N 3.02Å; R272-A307 PolarHBondContact NH2-O 3.24Å; R272-S311 PolarHBondContact NH1-OG 2.87Å; R272-S311 VanDerWaalsContact NH1-OG 3.13Å |
| 273 | G | 94.9 | Very high | 96.1 | Very high | 72 Ų | 72 | 66 Ų | 66 | 74% | 0.742 | 35% | 0.352 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 80.6 | 10.6 | -177.4 | 0 | 0 | 0 | 0 | 0 | 115.1 | L269 C270 | L269-G273 PolarHBondContact O-N 3.37Å; C270-G273 PolarHBondContact O-N 3.28Å |
| 274 | S | 94.6 | Very high | 96.1 | Very high | 46 Ų | 46 | 60 Ų | 60 | 32% | 0.322 | 33% | 0.33 | S | S | . | . | trans | -116.4 | 44.1 | -174 | -61.1 | 0 | 0 | 0 | 0 | 112.8 | L269 N276 R277 | L269-S274 PolarHBondContact O-N 2.98Å; S274-N276 PolarHBondContact O-N 3.35Å; S274-N276 VanDerWaalsContact O-N 3.15Å; S274-R277 PolarHBondContact O-N 3.05Å | ||
| 275 | C | 94.2 | Very high | 96 | Very high | 47 Ų | 47 | 59.2 Ų | 59.2 | 32% | 0.318 | 32% | 0.324 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -55.1 | -32.5 | -175.9 | -72.6 | 0 | 0 | 0 | 0 | 114.7 | C270 R277 | C270-C275 WeakPolarHBondContact CA-SG 3.48Å; C270-C275 HydrophobicContact CB-CB 4.29Å; C270-C275 WeakPolarHBondContact CB-SG 3.32Å; C270-C275 VanDerWaalsContact SG-CA 3.52Å; C270-C275 WeakPolarHBondContact SG-CB 3.35Å; C270-C275 CovalentContact SG-SG 2.04Å; C270-C275 PolarHBondContact SG-SG 2.87Å; C275-R277 PolarHBondContact O-N 3.11Å |
| 276 | N | 94.1 | Very high | 95.9 | Very high | 152 Ų | 152 | 61.2 Ų | 61.2 | 81% | 0.813 | 35% | 0.345 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -86.1 | 19.4 | -169.5 | -56.4 | -21.3 | 0 | 0 | 0 | 113.9 | S274 D278 | S274-N276 PolarHBondContact O-N 3.35Å; S274-N276 VanDerWaalsContact O-N 3.15Å; N276-D278 PolarHBondContact O-N 3.48Å |
| 277 | R | 95.4 | Very high | 95.7 | Very high | 81 Ų | 81 | 61 Ų | 61 | 31% | 0.306 | 35% | 0.347 | S | S | . | . | trans | -96.6 | 60.5 | -177.9 | -70.7 | -63.6 | -58.4 | -84.5 | 2.5 | 111.4 | L269 S274 C275 D279 V280 V281 L314 | L269-R277 HydrophobicContact CD1-CB 4.11Å; L269-R277 HydrophobicContact CD2-CB 4.43Å; S274-R277 PolarHBondContact O-N 3.05Å; C275-R277 PolarHBondContact O-N 3.11Å; R277-D279 VanDerWaalsContact C-OD1 3.24Å; R277-D279 VanDerWaalsContact CA-OD1 3.25Å; R277-D279 WeakPolarHBondContact CA-OD1 3.46Å; R277-D279 WeakPolarHBondContact CD-OD1 3.46Å; R277-D279 IonicContact CZ-OD1 2.82Å; R277-D279 IonicContact CZ-OD2 3.91Å; R277-D279 IonicContact NE-OD1 3.47Å; R277-D279 PolarHBondContact NE-OD1 3Å; R277-D279 IonicContact NE-OD2 3.29Å; R277-D279 PolarHBondContact NE-OD2 2.91Å; R277-D279 VanDerWaalsContact NE-OD2 3.11Å; R277-D279 IonicContact NH2-OD1 3.12Å; R277-D279 IonicContact NH2-OD2 2.79Å; R277-D279 PolarHBondContact NH2-OD2 2.98Å; R277-D279 PolarHBondContact O-N 2.91Å; R277-V280 HydrophobicContact CB-CB 4.1Å; R277-V280 HydrophobicContact CB-CG2 3.91Å; R277-V280 HydrophobicContact CG-CG2 4.47Å; R277-V280 WeakPolarHBondContact O-CB 3.25Å; R277-V280 PolarHBondContact O-N 3.23Å; R277-V281 PolarHBondContact O-N 3.07Å; R277-V281 VanDerWaalsContact O-N 3.13Å; R277-L314 VanDerWaalsContact NH1-CD2 3.29Å | ||
| 278 | D | 96.4 | Very high | 95.6 | Very high | 109 Ų | 109 | 60.2 Ų | 60.2 | 58% | 0.583 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -60.8 | -28.6 | 177.4 | -66.4 | -35 | 0 | 0 | 0 | 112 | N276 V280 V281 E282 | N276-D278 PolarHBondContact O-N 3.48Å; D278-V280 VanDerWaalsContact C-N 3.32Å; D278-V280 PolarHBondContact O-N 3.49Å; D278-V281 WeakPolarHBondContact O-CB 3.28Å; D278-V281 PolarHBondContact O-N 3.03Å; D278-E282 PolarHBondContact O-N 2.92Å |
| 279 | D | 96.7 | Very high | 95.6 | Very high | 86 Ų | 86 | 62.5 Ų | 62.5 | 46% | 0.46 | 36% | 0.356 | S | S | . | . | H | α-helix | trans | -58.9 | -41 | 171.6 | 64.2 | -51.7 | 0 | 0 | 0 | 112.3 | R277 A283 | R277-D279 VanDerWaalsContact C-OD1 3.24Å; R277-D279 VanDerWaalsContact CA-OD1 3.25Å; R277-D279 WeakPolarHBondContact CA-OD1 3.46Å; R277-D279 WeakPolarHBondContact CD-OD1 3.46Å; R277-D279 IonicContact CZ-OD1 2.82Å; R277-D279 IonicContact CZ-OD2 3.91Å; R277-D279 IonicContact NE-OD1 3.47Å; R277-D279 PolarHBondContact NE-OD1 3Å; R277-D279 IonicContact NE-OD2 3.29Å; R277-D279 PolarHBondContact NE-OD2 2.91Å; R277-D279 VanDerWaalsContact NE-OD2 3.11Å; R277-D279 IonicContact NH2-OD1 3.12Å; R277-D279 IonicContact NH2-OD2 2.79Å; R277-D279 PolarHBondContact NH2-OD2 2.98Å; R277-D279 PolarHBondContact O-N 2.91Å; D279-A283 VanDerWaalsContact O-CB 3.27Å; D279-A283 WeakPolarHBondContact O-CB 3.42Å; D279-A283 PolarHBondContact O-N 3.06Å |
| 280 | V | 96.9 | Very high | 95.5 | Very high | 2 Ų | 2 | 63.3 Ų | 63.3 | 1% | 0.012 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -73.9 | -35.9 | 176.6 | 180 | 0 | 0 | 0 | 0 | 110.7 | L269 R277 D278 A283 V284 F313 L314 | L269-V280 HydrophobicContact CD1-CB 4.11Å; L269-V280 HydrophobicContact CD1-CG1 4.16Å; L269-V280 HydrophobicContact CD2-CG1 4.3Å; R277-V280 HydrophobicContact CB-CB 4.1Å; R277-V280 HydrophobicContact CB-CG2 3.91Å; R277-V280 HydrophobicContact CG-CG2 4.47Å; R277-V280 WeakPolarHBondContact O-CB 3.25Å; R277-V280 PolarHBondContact O-N 3.23Å; D278-V280 VanDerWaalsContact C-N 3.32Å; D278-V280 PolarHBondContact O-N 3.49Å; V280-A283 PolarHBondContact O-N 3.41Å; V280-V284 HydrophobicContact CG1-CG2 3.94Å; V280-V284 WeakPolarHBondContact O-CB 3.48Å; V280-V284 WeakPolarHBondContact O-CG2 3.05Å; V280-V284 PolarHBondContact O-N 3.06Å; V280-F313 HydrophobicContact CG1-CB 4.13Å; V280-L314 HydrophobicContact CG2-CD2 3.98Å |
| 281 | V | 97.8 | Very high | 95.3 | Very high | 16 Ų | 16 | 64.8 Ų | 64.8 | 10% | 0.097 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -59.1 | -49.8 | 175.1 | 177.5 | 0 | 0 | 0 | 0 | 110.2 | E262 V265 H266 L269 R277 D278 G285 | E262-V281 HydrophobicContact CB-CG1 3.63Å; E262-V281 HydrophobicContact CG-CG1 3.91Å; V265-V281 HydrophobicContact CB-CG2 4.45Å; V265-V281 HydrophobicContact CG1-CB 4.36Å; V265-V281 HydrophobicContact CG1-CG2 4Å; H266-V281 HydrophobicContact CB-CG2 4.06Å; L269-V281 HydrophobicContact CD1-CG2 3.74Å; R277-V281 PolarHBondContact O-N 3.07Å; R277-V281 VanDerWaalsContact O-N 3.13Å; D278-V281 WeakPolarHBondContact O-CB 3.28Å; D278-V281 PolarHBondContact O-N 3.03Å; V281-G285 PolarHBondContact O-N 2.93Å |
| 282 | E | 97.1 | Very high | 95.2 | Very high | 134 Ų | 134 | 58.8 Ų | 58.8 | 63% | 0.626 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -65.5 | -45.2 | 178.9 | -173.5 | 175.8 | -172 | 0 | 0 | 112 | D278 G285 G286 | D278-E282 PolarHBondContact O-N 2.92Å; E282-G285 PolarHBondContact O-N 3.47Å; E282-G286 PolarHBondContact O-N 3.26Å |
| 283 | A | 96.9 | Very high | 94.6 | Very high | 35 Ų | 35 | 57 Ų | 57 | 29% | 0.289 | 35% | 0.348 | S | S | . | . | H | α-helix | trans | -61.9 | -48.1 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | D279 V280 G286 D287 F313 | D279-A283 VanDerWaalsContact O-CB 3.27Å; D279-A283 WeakPolarHBondContact O-CB 3.42Å; D279-A283 PolarHBondContact O-N 3.06Å; V280-A283 PolarHBondContact O-N 3.41Å; A283-G286 PolarHBondContact O-N 2.71Å; A283-D287 VanDerWaalsContact O-CB 3.27Å; A283-D287 WeakPolarHBondContact O-CB 3.5Å; A283-D287 PolarHBondContact O-N 3.46Å; A283-F313 HydrophobicContact CB-CD1 3.83Å; A283-F313 HydrophobicContact CB-CD2 4.47Å; A283-F313 HydrophobicContact CB-CE1 3.97Å; A283-F313 HydrophobicContact CB-CG 4.1Å; A283-F313 HydrophobicContact CB-CZ 4.37Å |
| 284 | V | 96.8 | Very high | 93.9 | Very high | 0 Ų | 0 | 61.9 Ų | 61.9 | 0% | 0 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -66 | -43.9 | 177.4 | 177.1 | 0 | 0 | 0 | 0 | 110.5 | V265 V280 G286 D287 M288 K309 I310 F313 | V265-V284 HydrophobicContact CG1-CB 4.18Å; V265-V284 HydrophobicContact CG1-CG2 4.29Å; V265-V284 HydrophobicContact CG2-CB 3.82Å; V265-V284 HydrophobicContact CG2-CG1 3.45Å; V265-V284 VanDerWaalsContact CG2-CG1 3.45Å; V280-V284 HydrophobicContact CG1-CG2 3.94Å; V280-V284 WeakPolarHBondContact O-CB 3.48Å; V280-V284 WeakPolarHBondContact O-CG2 3.05Å; V280-V284 PolarHBondContact O-N 3.06Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.42Å; V284-D287 PolarHBondContact O-N 3.33Å; V284-M288 VanDerWaalsContact O-CG 3.27Å; V284-M288 WeakPolarHBondContact O-CG 3.33Å; V284-M288 PolarHBondContact O-N 3.44Å; V284-K309 HydrophobicContact CB-CB 4.47Å; V284-K309 HydrophobicContact CG1-CB 3.72Å; V284-K309 HydrophobicContact CG1-CD 4.18Å; V284-K309 HydrophobicContact CG2-CB 4.07Å; V284-I310 HydrophobicContact CG2-CG1 4.24Å; V284-F313 HydrophobicContact CG2-CD2 3.59Å; V284-F313 HydrophobicContact CG2-CE2 4.23Å; V284-F313 HydrophobicContact CG2-CG 4.4Å |
| 285 | G | 95.8 | Very high | 93.1 | Very high | 0 Ų | 0 | 62 Ų | 62 | 0% | 0 | 36% | 0.36 | C | S | . | . | H | α-helix | trans | -59.2 | -39.8 | 178.1 | 0 | 0 | 0 | 0 | 0 | 112.8 | V281 E282 Y290 | V281-G285 PolarHBondContact O-N 2.93Å; E282-G285 PolarHBondContact O-N 3.47Å; G285-Y290 WeakPolarHBondContact O-CE2 3.48Å; G285-Y290 PolarHBondContact O-OH 3.07Å |
| 286 | G | 94.3 | Very high | 92.7 | Very high | 43 Ų | 43 | 65.4 Ų | 65.4 | 44% | 0.443 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -73.5 | -32.4 | 176.9 | 0 | 0 | 0 | 0 | 0 | 114.7 | E282 A283 V284 M288 | E282-G286 PolarHBondContact O-N 3.26Å; A283-G286 PolarHBondContact O-N 2.71Å; V284-G286 VanDerWaalsContact C-N 3.3Å; V284-G286 PolarHBondContact O-N 3.42Å; G286-M288 VanDerWaalsContact C-N 3.27Å; G286-M288 PolarHBondContact O-N 3.26Å |
| 287 | D | 94.9 | Very high | 92.5 | Very high | 73 Ų | 73 | 61.5 Ų | 61.5 | 39% | 0.39 | 35% | 0.345 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82 | 0.1 | -177.1 | -174 | 53.7 | 0 | 0 | 0 | 113.7 | A283 V284 K309 F313 | A283-D287 VanDerWaalsContact O-CB 3.27Å; A283-D287 WeakPolarHBondContact O-CB 3.5Å; A283-D287 PolarHBondContact O-N 3.46Å; V284-D287 PolarHBondContact O-N 3.33Å; D287-K309 VanDerWaalsContact CG-NZ 3.33Å; D287-K309 PolarHBondContact O-NZ 3.48Å; D287-K309 IonicContact OD1-NZ 2.57Å; D287-K309 IonicContact OD2-NZ 3.34Å; D287-K309 PolarHBondContact OD2-NZ 2.97Å; D287-F313 HydrophobicContact CB-CE2 3.9Å; D287-F313 HydrophobicContact CB-CZ 3.79Å |
| 288 | M | 94.6 | Very high | 92.5 | Very high | 11 Ų | 11 | 58 Ų | 58 | 5% | 0.054 | 33% | 0.332 | C | S | . | . | S | Bend | trans | -79.7 | 150.8 | 176.7 | -67.7 | -72.4 | -72.6 | 0 | 0 | 111.8 | V261 V284 G286 Y290 S299 T301 G302 T305 K309 | V261-M288 HydrophobicContact CG1-CE 4.27Å; V261-M288 HydrophobicContact CG1-CG 4.05Å; V284-M288 VanDerWaalsContact O-CG 3.27Å; V284-M288 WeakPolarHBondContact O-CG 3.33Å; V284-M288 PolarHBondContact O-N 3.44Å; G286-M288 VanDerWaalsContact C-N 3.27Å; G286-M288 PolarHBondContact O-N 3.26Å; M288-Y290 HydrophobicContact CB-CD2 4.43Å; M288-Y290 HydrophobicContact CB-CE2 3.64Å; M288-Y290 WeakPolarHBondContact O-CD2 3.27Å; M288-Y290 WeakPolarHBondContact O-CE2 3.26Å; M288-S299 VanDerWaalsContact CE-OG 3.29Å; M288-S299 WeakPolarHBondContact CE-OG 3.3Å; M288-T301 VanDerWaalsContact CE-OG1 3.25Å; M288-T301 WeakPolarHBondContact CE-OG1 3.35Å; M288-G302 WeakPolarHBondContact CE-O 3.27Å; M288-T305 WeakPolarHBondContact CE-OG1 3.24Å; M288-K309 HydrophobicContact CG-CD 4.3Å; M288-K309 HydrophobicContact SD-CD 3.45Å; M288-K309 WeakPolarHBondContact SD-CD 3.36Å; M288-K309 WeakPolarHBondContact SD-CE 3.5Å |
| 289 | T | 94.8 | Very high | 92.5 | Very high | 95 Ų | 95 | 53.2 Ų | 53.2 | 58% | 0.583 | 31% | 0.307 | S | S | * | . | trans | -84.7 | 131.4 | 172.2 | -48.3 | 0 | 0 | 0 | 0 | 110.2 | S299 T300 | T289-S299 WeakPolarHBondContact O-CA 3.23Å; T289-T300 HydrophobicContact CG2-CG2 4.08Å; T289-T300 PolarHBondContact O-N 2.84Å; T289-T300 PolarHBondContact O-OG1 3.46Å | ||
| 290 | Y | 95.6 | Very high | 92.4 | Very high | 17 Ų | 17 | 52.4 Ų | 52.4 | 7% | 0.067 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121 | 146.2 | -179.7 | -62.4 | -89.2 | 0 | 0 | 0 | 112 | R258 G285 M288 H296 F298 | R258-Y290 WeakPolarHBondContact CA-OH 3.46Å; R258-Y290 HydrophobicContact CB-CE1 3.77Å; R258-Y290 WeakPolarHBondContact CB-OH 3.25Å; R258-Y290 WeakPolarHBondContact CG-OH 3.31Å; G285-Y290 WeakPolarHBondContact O-CE2 3.48Å; G285-Y290 PolarHBondContact O-OH 3.07Å; M288-Y290 HydrophobicContact CB-CD2 4.43Å; M288-Y290 HydrophobicContact CB-CE2 3.64Å; M288-Y290 WeakPolarHBondContact O-CD2 3.27Å; M288-Y290 WeakPolarHBondContact O-CE2 3.26Å; Y290-H296 HydrophobicContact CD2-CB 4.28Å; Y290-H296 HydrophobicContact CG-CB 4.06Å; Y290-F298 CarbonylContact C-O 3.49Å; Y290-F298 WeakPolarHBondContact CA-O 3.3Å |
| 291 | D | 92.4 | Very high | 92.3 | Very high | 73 Ų | 73 | 54.4 Ų | 54.4 | 39% | 0.39 | 32% | 0.317 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 141.5 | 176.3 | -171.5 | 70.1 | 0 | 0 | 0 | 110.7 | H199 F298 T300 | H199-D291 IonicContact CE1-OD2 2.72Å; H199-D291 PolarHBondContact CE1-OD2 3.07Å; H199-D291 IonicContact NE2-OD2 3.86Å; D291-F298 PolarHBondContact N-O 2.93Å; D291-F298 PolarHBondContact O-N 3.39Å; D291-T300 HydrophobicContact CB-CG2 3.97Å |
| 292 | P | 90.4 | Very high | 92.2 | Very high | 35 Ų | 35 | 53.7 Ų | 53.7 | 23% | 0.227 | 31% | 0.313 | C | S | . | . | S | Bend | cis | -57.7 | 153.3 | -16.4 | 25.3 | -33.8 | 0 | 0 | 0 | 112.3 | L203 E294 H296 Y297 | L203-P292 HydrophobicContact CD1-CG 4.03Å; P292-E294 PolarHBondContact O-N 3.09Å; P292-H296 PolarHBondContact O-N 3.28Å; P292-Y297 HydrophobicContact CG-CD2 3.77Å; P292-Y297 HydrophobicContact CG-CE2 4.17Å |
| 293 | A | 82.4 | Confident | 92.2 | Very high | 71 Ų | 71 | 48.3 Ų | 48.3 | 59% | 0.587 | 29% | 0.29 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | -37.4 | 179 | 0 | 0 | 0 | 0 | 0 | 111.4 | G295 H296 | A293-G295 PolarHBondContact O-N 3.28Å; A293-H296 PolarHBondContact O-CE1 2.85Å; A293-H296 VanDerWaalsContact O-CE1 3.29Å; A293-H296 PolarHBondContact O-ND1 3.19Å |
| 294 | E | 79.1 | Confident | 92.2 | Very high | 174 Ų | 174 | 53.5 Ų | 53.5 | 81% | 0.813 | 31% | 0.306 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | 117.1 | 169.1 | -64.9 | -179 | -178.3 | 0 | 0 | 109.8 | P292 | P292-E294 PolarHBondContact O-N 3.09Š|
| 295 | G | 78.4 | Confident | 92.1 | Very high | 48 Ų | 48 | 55.8 Ų | 55.8 | 50% | 0.495 | 32% | 0.32 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 92.1 | -14 | 178.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | A293 Y297 | A293-G295 PolarHBondContact O-N 3.28Å; G295-Y297 VanDerWaalsContact C-N 3.33Å; G295-Y297 WeakPolarHBondContact O-CD1 3.48Å; G295-Y297 PolarHBondContact O-N 3.49Å |
| 296 | H | 85.7 | Confident | 92.1 | Very high | 119 Ų | 119 | 55.8 Ų | 55.8 | 55% | 0.551 | 32% | 0.32 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 48.8 | 47 | 174.4 | -61.4 | -64.2 | 0 | 0 | 0 | 114 | Y290 P292 A293 | Y290-H296 HydrophobicContact CD2-CB 4.28Å; Y290-H296 HydrophobicContact CG-CB 4.06Å; P292-H296 PolarHBondContact O-N 3.28Å; A293-H296 PolarHBondContact O-CE1 2.85Å; A293-H296 VanDerWaalsContact O-CE1 3.29Å; A293-H296 PolarHBondContact O-ND1 3.19Å |
| 297 | Y | 89.5 | Confident | 92.1 | Very high | 70 Ų | 70 | 55.6 Ų | 55.6 | 28% | 0.275 | 31% | 0.314 | S | S | . | . | trans | -73.2 | -48.7 | -169.6 | -61.9 | -47.1 | 0 | 0 | 0 | 113.7 | L203 R206 L207 T257 P292 G295 | L203-Y297 HydrophobicContact CD1-CD2 3.81Å; L203-Y297 HydrophobicContact CD1-CE2 4.31Å; R206-Y297 HydrophobicContact CG-CD1 4.34Å; R206-Y297 HydrophobicContact CG-CG 4.4Å; L207-Y297 HydrophobicContact CD2-CE2 4.17Å; T257-Y297 WeakPolarHBondContact CA-O 3.16Å; P292-Y297 HydrophobicContact CG-CD2 3.77Å; P292-Y297 HydrophobicContact CG-CE2 4.17Å; G295-Y297 VanDerWaalsContact C-N 3.33Å; G295-Y297 WeakPolarHBondContact O-CD1 3.48Å; G295-Y297 PolarHBondContact O-N 3.49Å | ||
| 298 | F | 95.9 | Very high | 92.1 | Very high | 8 Ų | 8 | 55.4 Ų | 55.4 | 4% | 0.035 | 32% | 0.323 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -129.9 | 133.4 | -168.9 | -52.4 | -58.1 | 0 | 0 | 0 | 113.5 | H199 V202 L203 R206 P255 L256 T257 Y290 D291 T300 | H199-F298 AromaticContact NE2-CD2 3.56Å; V202-F298 HydrophobicContact CG1-CE1 3.9Å; V202-F298 HydrophobicContact CG1-CE2 4.21Å; V202-F298 HydrophobicContact CG1-CZ 3.57Å; L203-F298 HydrophobicContact CB-CE2 4.17Å; L203-F298 HydrophobicContact CD1-CE2 4.1Å; R206-F298 HydrophobicContact CB-CZ 4.29Å; R206-F298 HydrophobicContact CG-CZ 4.5Å; P255-F298 HydrophobicContact CB-CB 3.98Å; P255-F298 HydrophobicContact CB-CD1 4.37Å; P255-F298 HydrophobicContact CB-CG 4.11Å; P255-F298 HydrophobicContact CG-CB 4.41Å; P255-F298 HydrophobicContact CG-CD1 4.09Å; P255-F298 HydrophobicContact CG-CD2 4.29Å; P255-F298 HydrophobicContact CG-CG 3.99Å; L256-F298 CarbonylContact O-C 3.49Å; L256-F298 VanDerWaalsContact O-CA 3.31Å; L256-F298 WeakPolarHBondContact O-CA 3.46Å; T257-F298 HydrophobicContact CG2-CD1 4.24Å; T257-F298 HydrophobicContact CG2-CE1 4.2Å; Y290-F298 CarbonylContact C-O 3.49Å; Y290-F298 WeakPolarHBondContact CA-O 3.3Å; D291-F298 PolarHBondContact N-O 2.93Å; D291-F298 PolarHBondContact O-N 3.39Å; F298-T300 PolarHBondContact O-N 3.47Å |
| 299 | S | 96.4 | Very high | 92.1 | Very high | 7 Ų | 7 | 57 Ų | 57 | 5% | 0.049 | 33% | 0.33 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.4 | 129 | 177.9 | -179.3 | 0 | 0 | 0 | 0 | 111.3 | L256 M288 T289 T301 G302 | L256-S299 PolarHBondContact O-N 2.77Å; M288-S299 VanDerWaalsContact CE-OG 3.29Å; M288-S299 WeakPolarHBondContact CE-OG 3.3Å; T289-S299 WeakPolarHBondContact O-CA 3.23Å; S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 PolarHBondContact O-N 3.33Å; S299-G302 PolarHBondContact OG-N 3.35Å; S299-G302 PolarHBondContact OG-O 2.96Å |
| 300 | T | 94.3 | Very high | 92.1 | Very high | 69 Ų | 69 | 52.5 Ų | 52.5 | 42% | 0.423 | 30% | 0.302 | S | S | . | . | S | Bend | trans | -68.5 | -25.1 | 179.8 | 60.1 | 0 | 0 | 0 | 0 | 113.1 | T289 D291 F298 | T289-T300 HydrophobicContact CG2-CG2 4.08Å; T289-T300 PolarHBondContact O-N 2.84Å; T289-T300 PolarHBondContact O-OG1 3.46Å; D291-T300 HydrophobicContact CB-CG2 3.97Å; F298-T300 PolarHBondContact O-N 3.47Å |
| 301 | T | 95.4 | Very high | 92.1 | Very high | 44 Ų | 44 | 55 Ų | 55 | 27% | 0.27 | 32% | 0.323 | S | S | . | . | S | Bend | trans | -114.1 | 1.6 | -178.2 | 56.9 | 0 | 0 | 0 | 0 | 113.6 | M288 S299 C303 K304 T305 | M288-T301 VanDerWaalsContact CE-OG1 3.25Å; M288-T301 WeakPolarHBondContact CE-OG1 3.35Å; S299-T301 VanDerWaalsContact C-N 3.26Å; S299-T301 PolarHBondContact O-N 3.33Å; T301-C303 PolarHBondContact O-N 3.5Å; T301-K304 VanDerWaalsContact O-CB 3.3Å; T301-K304 WeakPolarHBondContact O-CB 3.23Å; T301-K304 PolarHBondContact O-N 3.22Å; T301-K304 VanDerWaalsContact O-N 3.1Å; T301-T305 HydrophobicContact CG2-CG2 4.25Å; T301-T305 PolarHBondContact OG1-OG1 2.96Å |
| 302 | G | 96.2 | Very high | 92.2 | Very high | 1 Ų | 1 | 58.8 Ų | 58.8 | 1% | 0.01 | 34% | 0.336 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 52.1 | -132.1 | -173.8 | 0 | 0 | 0 | 0 | 0 | 111.1 | M288 S299 | M288-G302 WeakPolarHBondContact CE-O 3.27Å; S299-G302 PolarHBondContact OG-N 3.35Å; S299-G302 PolarHBondContact OG-O 2.96Å |
| 303 | C | 97.4 | Very high | 92.3 | Very high | 21 Ų | 21 | 60.2 Ų | 60.2 | 14% | 0.142 | 34% | 0.338 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -94.3 | 10.7 | 177.8 | -60.5 | 0 | 0 | 0 | 0 | 114.2 | G89 L256 C264 T301 T305 V306 | G89-C303 PolarHBondContact O-N 3.49Å; L256-C303 HydrophobicContact CD1-CB 4.39Å; L256-C303 WeakPolarHBondContact CD1-SG 3.41Å; C264-C303 HydrophobicContact CB-CB 3.65Å; C264-C303 WeakPolarHBondContact CB-SG 3.1Å; C264-C303 WeakPolarHBondContact SG-CB 3.36Å; C264-C303 CovalentContact SG-SG 2.03Å; C264-C303 PolarHBondContact SG-SG 2.94Å; T301-C303 PolarHBondContact O-N 3.5Å; C303-T305 PolarHBondContact O-N 2.85Å; C303-V306 HydrophobicContact CB-CG2 4.15Å |
| 304 | K | 95.5 | Very high | 92.6 | Very high | 144 Ų | 144 | 62 Ų | 62 | 63% | 0.626 | 34% | 0.337 | S | S | * | . | S | Bend | trans | -66.8 | -37 | -172.9 | -171.3 | 168.3 | -176.5 | 172.1 | 0 | 113.3 | S88 T301 | S88-K304 VanDerWaalsContact OG-CD 3.29Å; S88-K304 WeakPolarHBondContact OG-CD 3.48Å; T301-K304 VanDerWaalsContact O-CB 3.3Å; T301-K304 WeakPolarHBondContact O-CB 3.23Å; T301-K304 PolarHBondContact O-N 3.22Å; T301-K304 VanDerWaalsContact O-N 3.1Å |
| 305 | T | 94.9 | Very high | 93.2 | Very high | 48 Ų | 48 | 56.4 Ų | 56.4 | 29% | 0.294 | 31% | 0.313 | S | S | . | . | S | Bend | trans | -96.8 | -4.3 | -175.7 | 54.7 | 0 | 0 | 0 | 0 | 113.3 | M288 T301 C303 A307 A308 K309 | M288-T305 WeakPolarHBondContact CE-OG1 3.24Å; T301-T305 HydrophobicContact CG2-CG2 4.25Å; T301-T305 PolarHBondContact OG1-OG1 2.96Å; C303-T305 PolarHBondContact O-N 2.85Å; T305-A307 VanDerWaalsContact C-N 3.32Å; T305-A307 PolarHBondContact O-N 2.82Å; T305-A308 PolarHBondContact O-N 3.13Å; T305-A308 VanDerWaalsContact O-N 3.16Å; T305-K309 PolarHBondContact O-N 2.78Å; T305-K309 VanDerWaalsContact O-N 3.13Å |
| 306 | V | 95.4 | Very high | 94 | Very high | 0 Ų | 0 | 56.8 Ų | 56.8 | 0% | 0 | 30% | 0.304 | C | S | . | . | H | α-helix | trans | -55.1 | -45 | -176.9 | 164.2 | 0 | 0 | 0 | 0 | 112 | V261 C264 V265 C303 A308 K309 I310 | V261-V306 HydrophobicContact CG1-CG2 3.78Å; C264-V306 HydrophobicContact CB-CG2 4.5Å; V265-V306 HydrophobicContact CB-CG1 4.26Å; V265-V306 HydrophobicContact CG2-CG1 3.61Å; V265-V306 HydrophobicContact CG2-CG2 4.19Å; C303-V306 HydrophobicContact CB-CG2 4.15Å; V306-A308 VanDerWaalsContact C-N 3.27Å; V306-A308 PolarHBondContact O-N 3.34Å; V306-K309 PolarHBondContact O-N 2.75Å; V306-K309 VanDerWaalsContact O-N 3.17Å; V306-I310 HydrophobicContact CG1-CD1 3.66Å; V306-I310 HydrophobicContact CG1-CG1 4.15Å; V306-I310 WeakPolarHBondContact O-CG1 3.33Å; V306-I310 PolarHBondContact O-N 3.08Å |
| 307 | A | 94.7 | Very high | 94.5 | Very high | 39 Ų | 39 | 53.3 Ų | 53.3 | 32% | 0.322 | 29% | 0.29 | S | S | . | . | H | α-helix | trans | -60 | -37.2 | -177.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | Q268 R272 T305 S311 | Q268-A307 VanDerWaalsContact OE1-CA 3.25Å; R272-A307 PolarHBondContact NH2-O 3.24Å; T305-A307 VanDerWaalsContact C-N 3.32Å; T305-A307 PolarHBondContact O-N 2.82Å; A307-S311 PolarHBondContact O-N 3.19Å; A307-S311 PolarHBondContact O-OG 3.43Å |
| 308 | A | 94.6 | Very high | 94.8 | Very high | 70 Ų | 70 | 52.4 Ų | 52.4 | 58% | 0.579 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -73.4 | -41.1 | 177.7 | 0 | 0 | 0 | 0 | 0 | 111.5 | T305 V306 S311 F312 | T305-A308 PolarHBondContact O-N 3.13Å; T305-A308 VanDerWaalsContact O-N 3.16Å; V306-A308 VanDerWaalsContact C-N 3.27Å; V306-A308 PolarHBondContact O-N 3.34Å; A308-S311 PolarHBondContact O-N 3.37Å; A308-F312 PolarHBondContact O-N 2.96Å; A308-F312 VanDerWaalsContact O-N 3.15Å |
| 309 | K | 95.3 | Very high | 94.7 | Very high | 45 Ų | 45 | 55.1 Ų | 55.1 | 20% | 0.196 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -66.3 | -40.7 | 176.6 | -71.7 | -175.2 | -178.9 | -90.2 | 0 | 112.3 | V284 D287 M288 T305 V306 S311 F312 F313 | V284-K309 HydrophobicContact CB-CB 4.47Å; V284-K309 HydrophobicContact CG1-CB 3.72Å; V284-K309 HydrophobicContact CG1-CD 4.18Å; V284-K309 HydrophobicContact CG2-CB 4.07Å; D287-K309 VanDerWaalsContact CG-NZ 3.33Å; D287-K309 PolarHBondContact O-NZ 3.48Å; D287-K309 IonicContact OD1-NZ 2.57Å; D287-K309 IonicContact OD2-NZ 3.34Å; D287-K309 PolarHBondContact OD2-NZ 2.97Å; M288-K309 HydrophobicContact CG-CD 4.3Å; M288-K309 HydrophobicContact SD-CD 3.45Å; M288-K309 WeakPolarHBondContact SD-CD 3.36Å; M288-K309 WeakPolarHBondContact SD-CE 3.5Å; T305-K309 PolarHBondContact O-N 2.78Å; T305-K309 VanDerWaalsContact O-N 3.13Å; V306-K309 PolarHBondContact O-N 2.75Å; V306-K309 VanDerWaalsContact O-N 3.17Å; K309-S311 VanDerWaalsContact C-N 3.26Å; K309-S311 PolarHBondContact O-N 2.91Å; K309-F312 WeakPolarHBondContact O-CA 3.46Å; K309-F312 WeakPolarHBondContact O-CB 3.42Å; K309-F312 PolarHBondContact O-N 3.17Å; K309-F313 WeakPolarHBondContact O-CD2 3.49Å; K309-F313 PolarHBondContact O-N 3.46Å; K309-F313 VanDerWaalsContact O-N 3.08Å |
| 310 | I | 95.4 | Very high | 94.6 | Very high | 0 Ų | 0 | 58.3 Ų | 58.3 | 0% | 0 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.1 | -48 | 172.8 | -70.7 | 169.5 | 0 | 0 | 0 | 110.1 | V265 Q268 L269 V284 V306 F312 F313 L314 | V265-I310 HydrophobicContact CG1-CD1 4.01Å; V265-I310 HydrophobicContact CG1-CG1 3.85Å; Q268-I310 HydrophobicContact CB-CD1 3.62Å; L269-I310 HydrophobicContact CD2-CG2 3.8Å; L269-I310 HydrophobicContact CG-CD1 4.42Å; L269-I310 HydrophobicContact CG-CG2 4.47Å; V284-I310 HydrophobicContact CG2-CG1 4.24Å; V306-I310 HydrophobicContact CG1-CD1 3.66Å; V306-I310 HydrophobicContact CG1-CG1 4.15Å; V306-I310 WeakPolarHBondContact O-CG1 3.33Å; V306-I310 PolarHBondContact O-N 3.08Å; I310-F312 PolarHBondContact O-N 3.27Å; I310-F313 PolarHBondContact O-N 3.39Å; I310-L314 HydrophobicContact CG2-CD1 3.48Å; I310-L314 VanDerWaalsContact CG2-CD1 3.48Å; I310-L314 HydrophobicContact CG2-CG 3.95Å; I310-L314 WeakPolarHBondContact O-CB 3.37Å; I310-L314 VanDerWaalsContact O-CG 3.29Å; I310-L314 WeakPolarHBondContact O-CG 3.19Å; I310-L314 PolarHBondContact O-N 3.28Å |
| 311 | S | 94.4 | Very high | 94.6 | Very high | 70 Ų | 70 | 57.6 Ų | 57.6 | 49% | 0.49 | 32% | 0.317 | S | S | . | . | H | α-helix | trans | -67.4 | -18.4 | 179.5 | -58.8 | 0 | 0 | 0 | 0 | 113.9 | R272 A307 A308 K309 | R272-S311 PolarHBondContact NH1-OG 2.87Å; R272-S311 VanDerWaalsContact NH1-OG 3.13Å; A307-S311 PolarHBondContact O-N 3.19Å; A307-S311 PolarHBondContact O-OG 3.43Å; A308-S311 PolarHBondContact O-N 3.37Å; K309-S311 VanDerWaalsContact C-N 3.26Å; K309-S311 PolarHBondContact O-N 2.91Å |
| 312 | F | 94.7 | Very high | 94.5 | Very high | 152 Ų | 152 | 58.6 Ų | 58.6 | 67% | 0.667 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -81.9 | -32.8 | 174.2 | 175.1 | -98.8 | 0 | 0 | 0 | 112.5 | A308 K309 I310 | A308-F312 PolarHBondContact O-N 2.96Å; A308-F312 VanDerWaalsContact O-N 3.15Å; K309-F312 WeakPolarHBondContact O-CA 3.46Å; K309-F312 WeakPolarHBondContact O-CB 3.42Å; K309-F312 PolarHBondContact O-N 3.17Å; I310-F312 PolarHBondContact O-N 3.27Å |
| 313 | F | 92.4 | Very high | 94.4 | Very high | 64 Ų | 64 | 63.4 Ų | 63.4 | 28% | 0.281 | 35% | 0.347 | S | S | . | . | H | α-helix | trans | -96.4 | -5.9 | -178.7 | -70.7 | -72.6 | 0 | 0 | 0 | 114.5 | V280 A283 V284 D287 K309 I310 | V280-F313 HydrophobicContact CG1-CB 4.13Å; A283-F313 HydrophobicContact CB-CD1 3.83Å; A283-F313 HydrophobicContact CB-CD2 4.47Å; A283-F313 HydrophobicContact CB-CE1 3.97Å; A283-F313 HydrophobicContact CB-CG 4.1Å; A283-F313 HydrophobicContact CB-CZ 4.37Å; V284-F313 HydrophobicContact CG2-CD2 3.59Å; V284-F313 HydrophobicContact CG2-CE2 4.23Å; V284-F313 HydrophobicContact CG2-CG 4.4Å; D287-F313 HydrophobicContact CB-CE2 3.9Å; D287-F313 HydrophobicContact CB-CZ 3.79Å; K309-F313 WeakPolarHBondContact O-CD2 3.49Å; K309-F313 PolarHBondContact O-N 3.46Å; K309-F313 VanDerWaalsContact O-N 3.08Å; I310-F313 PolarHBondContact O-N 3.39Å |
| 314 | L | 88.1 | Confident | 94.1 | Very high | 108 Ų | 108 | 67.3 Ų | 67.3 | 57% | 0.565 | 37% | 0.365 | S | S | * | . | trans | -89.6 | 0 | 171.7 | -76.1 | 179.7 | 0 | 0 | 0 | 111.3 | L269 R277 V280 I310 | L269-L314 HydrophobicContact CD2-CD1 4.25Å; L269-L314 HydrophobicContact CD2-CD2 4.21Å; R277-L314 VanDerWaalsContact NH1-CD2 3.29Å; V280-L314 HydrophobicContact CG2-CD2 3.98Å; I310-L314 HydrophobicContact CG2-CD1 3.48Å; I310-L314 VanDerWaalsContact CG2-CD1 3.48Å; I310-L314 HydrophobicContact CG2-CG 3.95Å; I310-L314 WeakPolarHBondContact O-CB 3.37Å; I310-L314 VanDerWaalsContact O-CG 3.29Å; I310-L314 WeakPolarHBondContact O-CG 3.19Å; I310-L314 PolarHBondContact O-N 3.28Å |
Retrieved 314 of 314 residues in 157.2 ms
(Link to these results)