| 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 | 56.8 | Low | 223 Ų | 223 | 131.2 Ų | 131.2 | 100% | 1.099 | 66% | 0.658 | S | S | * | * | 0 | -51.2 | 0 | -101.8 | -176.3 | 177.1 | 0 | 0 | 114.3 | V3 A4 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.08Å; M1-A4 PolarHBondContact O-N 3.46Å; M1-A4 VanDerWaalsContact O-N 3.13Å | |||
| 2 | Q | 45.7 | Very low | 58.4 | Low | 174 Ų | 174 | 128.3 Ų | 128.3 | 81% | 0.813 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -53.9 | -41.1 | -172.8 | -69.2 | 174 | -9.6 | 0 | 0 | 114.8 | A4 K5 K6 | Q2-A4 VanDerWaalsContact C-N 3.31Å; Q2-A4 PolarHBondContact O-N 3.3Å; Q2-K5 WeakPolarHBondContact O-CB 3.26Å; Q2-K5 PolarHBondContact O-N 3.18Å; Q2-K5 VanDerWaalsContact O-N 3.07Å; Q2-K6 PolarHBondContact O-N 3.29Å |
| 3 | V | 48 | Very low | 59.9 | Low | 104 Ų | 104 | 126.2 Ų | 126.2 | 63% | 0.63 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -55.8 | -42.6 | 178.4 | 178.4 | 0 | 0 | 0 | 0 | 112.5 | M1 K5 K6 Y7 | M1-V3 VanDerWaalsContact C-N 3.33Å; M1-V3 PolarHBondContact O-N 3.08Å; V3-K5 VanDerWaalsContact C-N 3.3Å; V3-K5 PolarHBondContact O-N 3.26Å; V3-K6 PolarHBondContact O-N 3.11Å; V3-Y7 HydrophobicContact CG1-CD2 4.08Å; V3-Y7 HydrophobicContact CG1-CE2 3.62Å; V3-Y7 WeakPolarHBondContact O-CD2 3.44Å |
| 4 | A | 49.7 | Very low | 61.1 | Low | 67 Ų | 67 | 125.9 Ų | 125.9 | 55% | 0.554 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.5 | -31.7 | 178.9 | 0 | 0 | 0 | 0 | 0 | 112.7 | M1 Q2 F8 | M1-A4 PolarHBondContact O-N 3.46Å; M1-A4 VanDerWaalsContact O-N 3.13Å; Q2-A4 VanDerWaalsContact C-N 3.31Å; Q2-A4 PolarHBondContact O-N 3.3Å; A4-F8 PolarHBondContact O-N 3.3Å |
| 5 | K | 51.8 | Low | 62.1 | Low | 166 Ų | 166 | 123.5 Ų | 123.5 | 72% | 0.722 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -64.9 | -40.8 | 175.6 | -76.8 | -166.3 | 170.5 | -170 | 0 | 112 | Q2 V3 F8 T9 | Q2-K5 WeakPolarHBondContact O-CB 3.26Å; Q2-K5 PolarHBondContact O-N 3.18Å; Q2-K5 VanDerWaalsContact O-N 3.07Å; V3-K5 VanDerWaalsContact C-N 3.3Å; V3-K5 PolarHBondContact O-N 3.26Å; K5-F8 PolarHBondContact O-N 3.4Å; K5-T9 PolarHBondContact O-N 3Å; K5-T9 PolarHBondContact O-OG1 2.98Å; K5-T9 VanDerWaalsContact O-OG1 3.07Å |
| 6 | K | 56.3 | Low | 62.8 | Low | 155 Ų | 155 | 119.8 Ų | 119.8 | 67% | 0.674 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -58.9 | -53.1 | 178.4 | -90.5 | -164 | 169.9 | -167.6 | 0 | 112 | Q2 V3 F8 T9 E10 | Q2-K6 PolarHBondContact O-N 3.29Å; V3-K6 PolarHBondContact O-N 3.11Å; K6-F8 VanDerWaalsContact C-N 3.28Å; K6-F8 PolarHBondContact O-N 2.82Å; K6-T9 PolarHBondContact O-N 3.26Å; K6-T9 PolarHBondContact O-OG1 2.63Å; K6-E10 WeakPolarHBondContact O-CB 3.4Å; K6-E10 PolarHBondContact O-N 2.95Å |
| 7 | Y | 54.8 | Low | 63.6 | Low | 171 Ų | 171 | 118.2 Ų | 118.2 | 67% | 0.671 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -61.7 | -36.1 | 179.6 | -67.5 | -63.4 | 0 | 0 | 0 | 112.7 | V3 E10 G11 | V3-Y7 HydrophobicContact CG1-CD2 4.08Å; V3-Y7 HydrophobicContact CG1-CE2 3.62Å; V3-Y7 WeakPolarHBondContact O-CD2 3.44Å; Y7-E10 PolarHBondContact O-N 3.37Å; Y7-G11 PolarHBondContact O-N 3.35Å |
| 8 | F | 57.1 | Low | 64.5 | Low | 159 Ų | 159 | 117.6 Ų | 117.6 | 70% | 0.697 | 60% | 0.596 | S | S | * | * | H | α-helix | trans | -67.1 | -42.9 | 176.2 | -145.7 | -82.6 | 0 | 0 | 0 | 112.1 | A4 K5 K6 L12 | A4-F8 PolarHBondContact O-N 3.3Å; K5-F8 PolarHBondContact O-N 3.4Å; K6-F8 VanDerWaalsContact C-N 3.28Å; K6-F8 PolarHBondContact O-N 2.82Å; F8-L12 VanDerWaalsContact O-CB 3.27Å; F8-L12 WeakPolarHBondContact O-CB 3.25Å; F8-L12 PolarHBondContact O-N 3.12Å; F8-L12 VanDerWaalsContact O-N 3.12Å |
| 9 | T | 65.9 | Low | 64.8 | Low | 80 Ų | 80 | 114.6 Ų | 114.6 | 49% | 0.491 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -65.6 | -40.1 | 175.2 | 45.9 | 0 | 0 | 0 | 0 | 112.6 | K5 K6 L12 I13 | K5-T9 PolarHBondContact O-N 3Å; K5-T9 PolarHBondContact O-OG1 2.98Å; K5-T9 VanDerWaalsContact O-OG1 3.07Å; K6-T9 PolarHBondContact O-N 3.26Å; K6-T9 PolarHBondContact O-OG1 2.63Å; T9-L12 PolarHBondContact O-N 2.92Å; T9-I13 WeakPolarHBondContact O-CD1 3.34Å; T9-I13 VanDerWaalsContact O-CG1 3.23Å; T9-I13 WeakPolarHBondContact O-CG1 3.33Å; T9-I13 PolarHBondContact O-N 3.18Å |
| 10 | E | 71.9 | Confident | 65.1 | Low | 106 Ų | 106 | 113 Ų | 113 | 50% | 0.495 | 58% | 0.581 | S | S | . | * | H | α-helix | trans | -73.3 | -40.9 | -175.3 | -165 | 161.3 | 175.7 | 0 | 0 | 111.9 | K6 Y7 L12 I13 Q14 | K6-E10 WeakPolarHBondContact O-CB 3.4Å; K6-E10 PolarHBondContact O-N 2.95Å; Y7-E10 PolarHBondContact O-N 3.37Å; E10-L12 PolarHBondContact O-N 3.01Å; E10-I13 PolarHBondContact O-N 2.91Å; E10-Q14 WeakPolarHBondContact O-CG 3.26Å; E10-Q14 PolarHBondContact O-N 3.48Å |
| 11 | G | 76.5 | Confident | 65.4 | Low | 38 Ų | 38 | 114.2 Ų | 114.2 | 39% | 0.392 | 59% | 0.588 | S | S | . | * | H | α-helix | trans | -63.7 | -37.4 | 170.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y7 Q14 L15 | Y7-G11 PolarHBondContact O-N 3.35Å; G11-Q14 PolarHBondContact O-N 3.06Å; G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 PolarHBondContact O-N 2.85Å |
| 12 | L | 76.5 | Confident | 66.8 | Low | 97 Ų | 97 | 108.6 Ų | 108.6 | 51% | 0.508 | 57% | 0.566 | S | S | . | * | H | α-helix | trans | -68.1 | -39.4 | 176.5 | -164.5 | 73.1 | 0 | 0 | 0 | 112.1 | F8 T9 E10 L15 T16 | F8-L12 VanDerWaalsContact O-CB 3.27Å; F8-L12 WeakPolarHBondContact O-CB 3.25Å; F8-L12 PolarHBondContact O-N 3.12Å; F8-L12 VanDerWaalsContact O-N 3.12Å; T9-L12 PolarHBondContact O-N 2.92Å; E10-L12 PolarHBondContact O-N 3.01Å; L12-L15 PolarHBondContact O-N 2.85Å; L12-T16 WeakPolarHBondContact O-CB 3.26Å; L12-T16 PolarHBondContact O-N 3.24Å; L12-T16 PolarHBondContact O-OG1 2.86Å |
| 13 | I | 77.4 | Confident | 67.1 | Low | 100 Ų | 100 | 103.2 Ų | 103.2 | 51% | 0.513 | 56% | 0.557 | S | S | . | * | H | α-helix | trans | -62.9 | -48.1 | 173.4 | -71.5 | 163.1 | 0 | 0 | 0 | 110.6 | T9 E10 L15 T16 I17 | T9-I13 WeakPolarHBondContact O-CD1 3.34Å; T9-I13 VanDerWaalsContact O-CG1 3.23Å; T9-I13 WeakPolarHBondContact O-CG1 3.33Å; T9-I13 PolarHBondContact O-N 3.18Å; E10-I13 PolarHBondContact O-N 2.91Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.92Å; I13-T16 PolarHBondContact O-N 2.82Å; I13-T16 VanDerWaalsContact O-N 3.16Å; I13-I17 HydrophobicContact CG2-CD1 3.76Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.32Å |
| 14 | Q | 77.2 | Confident | 67.8 | Low | 122 Ų | 122 | 101.7 Ų | 101.7 | 57% | 0.57 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -60.5 | -41.8 | 177.9 | -71.3 | 173.8 | 10.4 | 0 | 0 | 112.1 | E10 G11 I17 L18 | E10-Q14 WeakPolarHBondContact O-CG 3.26Å; E10-Q14 PolarHBondContact O-N 3.48Å; G11-Q14 PolarHBondContact O-N 3.06Å; Q14-I17 PolarHBondContact O-N 3.03Å; Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 2.96Å |
| 15 | L | 76.3 | Confident | 67.8 | Low | 91 Ų | 91 | 109.7 Ų | 109.7 | 48% | 0.476 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -63.5 | -40.4 | 174.3 | -179.1 | 61.3 | 0 | 0 | 0 | 112.2 | G11 L12 I13 L18 L19 | G11-L15 WeakPolarHBondContact O-CB 3.43Å; G11-L15 PolarHBondContact O-N 2.85Å; L12-L15 PolarHBondContact O-N 2.85Å; I13-L15 VanDerWaalsContact C-N 3.34Å; I13-L15 PolarHBondContact O-N 2.92Å; L15-L18 PolarHBondContact O-N 2.89Å; L15-L19 HydrophobicContact CD1-CD1 4.28Å; L15-L19 HydrophobicContact CD1-CG 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 WeakPolarHBondContact O-CB 3.16Å; L15-L19 WeakPolarHBondContact O-CD1 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 3.39Å |
| 16 | T | 72.6 | Confident | 68 | Low | 63 Ų | 63 | 104.8 Ų | 104.8 | 39% | 0.387 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -67.2 | -40.5 | 179.6 | -56.3 | 0 | 0 | 0 | 0 | 111.4 | L12 I13 S20 | L12-T16 WeakPolarHBondContact O-CB 3.26Å; L12-T16 PolarHBondContact O-N 3.24Å; L12-T16 PolarHBondContact O-OG1 2.86Å; I13-T16 PolarHBondContact O-N 2.82Å; I13-T16 VanDerWaalsContact O-N 3.16Å; T16-S20 WeakPolarHBondContact O-CB 3.43Å; T16-S20 PolarHBondContact O-N 2.94Å; T16-S20 PolarHBondContact O-OG 2.82Å |
| 17 | I | 77.2 | Confident | 67.8 | Low | 93 Ų | 93 | 102.6 Ų | 102.6 | 48% | 0.477 | 54% | 0.543 | S | S | . | . | H | α-helix | trans | -63.2 | -44.4 | 173.1 | -67.7 | 165.4 | 0 | 0 | 0 | 110.2 | I13 Q14 S20 L21 | I13-I17 HydrophobicContact CG2-CD1 3.76Å; I13-I17 WeakPolarHBondContact O-CG1 3.47Å; I13-I17 PolarHBondContact O-N 3.32Å; Q14-I17 PolarHBondContact O-N 3.03Å; I17-S20 WeakPolarHBondContact O-CB 3.4Å; I17-S20 PolarHBondContact O-N 3Å; I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 VanDerWaalsContact O-CG 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.92Å |
| 18 | L | 78.7 | Confident | 67.7 | Low | 108 Ų | 108 | 99 Ų | 99 | 57% | 0.565 | 53% | 0.534 | S | S | * | . | H | α-helix | trans | -62.7 | -44.9 | 178.5 | -169.1 | 69.2 | 0 | 0 | 0 | 112.2 | Q14 L15 S20 L21 V22 | Q14-L18 WeakPolarHBondContact O-CB 3.31Å; Q14-L18 PolarHBondContact O-N 2.96Å; L15-L18 PolarHBondContact O-N 2.89Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.73Å; L18-L21 PolarHBondContact O-N 3.17Å; L18-V22 WeakPolarHBondContact O-CG2 3.39Å; L18-V22 PolarHBondContact O-N 3.16Å |
| 19 | L | 71.9 | Confident | 67.3 | Low | 60 Ų | 60 | 97.2 Ų | 97.2 | 31% | 0.314 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -60.5 | -41.6 | 175.1 | -74.2 | 161.9 | 0 | 0 | 0 | 111.9 | L15 V22 G23 V24 V26 | L15-L19 HydrophobicContact CD1-CD1 4.28Å; L15-L19 HydrophobicContact CD1-CG 4.46Å; L15-L19 HydrophobicContact CG-CD1 4.01Å; L15-L19 WeakPolarHBondContact O-CB 3.16Å; L15-L19 WeakPolarHBondContact O-CD1 3.43Å; L15-L19 WeakPolarHBondContact O-CG 3.27Å; L15-L19 PolarHBondContact O-N 3.39Å; L19-V22 PolarHBondContact O-N 2.99Å; L19-G23 PolarHBondContact O-N 3.5Å; L19-V24 HydrophobicContact CD2-CB 4.28Å; L19-V24 HydrophobicContact CD2-CG1 4.41Å; L19-V24 PolarHBondContact O-N 2.94Å; L19-V26 HydrophobicContact CD1-CG2 4.13Å; L19-V26 HydrophobicContact CD2-CG2 4.17Å |
| 20 | S | 69.2 | Low | 66.5 | Low | 83 Ų | 83 | 97.6 Ų | 97.6 | 58% | 0.58 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -63.6 | -42.2 | 176.5 | -56.9 | 0 | 0 | 0 | 0 | 112 | T16 I17 L18 V22 G23 | T16-S20 WeakPolarHBondContact O-CB 3.43Å; T16-S20 PolarHBondContact O-N 2.94Å; T16-S20 PolarHBondContact O-OG 2.82Å; I17-S20 WeakPolarHBondContact O-CB 3.4Å; I17-S20 PolarHBondContact O-N 3Å; L18-S20 VanDerWaalsContact C-N 3.32Å; L18-S20 PolarHBondContact O-N 2.73Å; S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 2.91Å; S20-G23 PolarHBondContact O-N 2.9Å; S20-G23 VanDerWaalsContact O-N 3.08Å |
| 21 | L | 72.8 | Confident | 65.3 | Low | 139 Ų | 139 | 100.8 Ų | 100.8 | 73% | 0.728 | 55% | 0.547 | S | S | * | . | H | α-helix | trans | -70.3 | -26.1 | 178.1 | -71.9 | 170.2 | 0 | 0 | 0 | 113.4 | I17 L18 | I17-L21 HydrophobicContact CG2-CD1 3.84Å; I17-L21 HydrophobicContact CG2-CG 4.41Å; I17-L21 VanDerWaalsContact O-CG 3.32Å; I17-L21 WeakPolarHBondContact O-CG 3.46Å; I17-L21 PolarHBondContact O-N 2.92Å; L18-L21 PolarHBondContact O-N 3.17Å |
| 22 | V | 75.3 | Confident | 63.9 | Low | 105 Ų | 105 | 103.9 Ų | 103.9 | 64% | 0.636 | 55% | 0.554 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -84.9 | 1 | 172.1 | -177.9 | 0 | 0 | 0 | 0 | 111.5 | L18 L19 S20 V24 | L18-V22 WeakPolarHBondContact O-CG2 3.39Å; L18-V22 PolarHBondContact O-N 3.16Å; L19-V22 PolarHBondContact O-N 2.99Å; S20-V22 VanDerWaalsContact C-N 3.33Å; S20-V22 PolarHBondContact O-N 2.91Å; V22-V24 HydrophobicContact CB-CG2 4.37Å; V22-V24 HydrophobicContact CG1-CG2 4.01Å; V22-V24 PolarHBondContact O-N 2.95Å |
| 23 | G | 51 | Low | 62.5 | Low | 60 Ų | 60 | 104.7 Ų | 104.7 | 62% | 0.619 | 56% | 0.563 | S | S | * | * | T | Hydrogen-bonded Turn | trans | 74.5 | 9.6 | 177.5 | 0 | 0 | 0 | 0 | 0 | 114.6 | L19 S20 R25 | L19-G23 PolarHBondContact O-N 3.5Å; S20-G23 PolarHBondContact O-N 2.9Å; S20-G23 VanDerWaalsContact O-N 3.08Å; G23-R25 PolarHBondContact O-N 3.43Å; G23-R25 VanDerWaalsContact O-N 3.16Å |
| 24 | V | 63.3 | Low | 60.8 | Low | 72 Ų | 72 | 102.9 Ų | 102.9 | 44% | 0.436 | 57% | 0.569 | S | S | . | * | trans | -80.8 | 99.5 | -178.5 | -175.1 | 0 | 0 | 0 | 0 | 109.1 | L19 V22 V26 | L19-V24 HydrophobicContact CD2-CB 4.28Å; L19-V24 HydrophobicContact CD2-CG1 4.41Å; L19-V24 PolarHBondContact O-N 2.94Å; V22-V24 HydrophobicContact CB-CG2 4.37Å; V22-V24 HydrophobicContact CG1-CG2 4.01Å; V22-V24 PolarHBondContact O-N 2.95Å; V24-V26 HydrophobicContact CG1-CG2 3.85Å; V24-V26 PolarHBondContact O-N 2.88Å | ||
| 25 | R | 51.1 | Low | 59.2 | Low | 236 Ų | 236 | 106.6 Ų | 106.6 | 89% | 0.891 | 58% | 0.579 | S | S | * | * | trans | -65.4 | 97.2 | 165.4 | -78.1 | -175.4 | 164.3 | -129.5 | -1.3 | 109.6 | G23 | G23-R25 PolarHBondContact O-N 3.43Å; G23-R25 VanDerWaalsContact O-N 3.16Å | ||
| 26 | V | 54.8 | Low | 57.3 | Low | 63 Ų | 63 | 110.3 Ų | 110.3 | 38% | 0.382 | 59% | 0.588 | S | S | . | * | trans | -86.9 | 107.5 | 168.6 | -178.4 | 0 | 0 | 0 | 0 | 108.2 | L19 V24 I28 Y31 | L19-V26 HydrophobicContact CD1-CG2 4.13Å; L19-V26 HydrophobicContact CD2-CG2 4.17Å; V24-V26 HydrophobicContact CG1-CG2 3.85Å; V24-V26 PolarHBondContact O-N 2.88Å; V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 HydrophobicContact CG1-CG1 4.42Å; V26-I28 PolarHBondContact O-N 3Å; V26-Y31 HydrophobicContact CG1-CD2 4.43Å | ||
| 27 | D | 51.3 | Low | 55.8 | Low | 109 Ų | 109 | 112 Ų | 112 | 58% | 0.583 | 60% | 0.6 | S | S | * | * | trans | -70 | 93.3 | 167.9 | -79.5 | -26.1 | 0 | 0 | 0 | 109.2 | D29 S30 | D27-D29 PolarHBondContact O-N 3.23Å; D27-S30 PolarHBondContact O-N 3.17Å; D27-S30 VanDerWaalsContact O-N 3.16Å | ||
| 28 | I | 54.3 | Low | 54.1 | Low | 94 Ų | 94 | 113 Ų | 113 | 48% | 0.482 | 61% | 0.613 | S | S | . | * | H | α-helix | trans | -57.5 | -35.9 | -178.4 | -67.8 | 170.1 | 0 | 0 | 0 | 110.9 | V26 S30 Y31 L32 | V26-I28 VanDerWaalsContact C-N 3.34Å; V26-I28 HydrophobicContact CG1-CG1 4.42Å; V26-I28 PolarHBondContact O-N 3Å; I28-S30 VanDerWaalsContact C-N 3.31Å; I28-S30 PolarHBondContact O-N 3.02Å; I28-Y31 PolarHBondContact O-N 3.15Å; I28-Y31 VanDerWaalsContact O-N 3.1Å; I28-L32 HydrophobicContact CG2-CD1 3.62Å; I28-L32 HydrophobicContact CG2-CG 3.98Å; I28-L32 PolarHBondContact O-N 3.26Å |
| 29 | D | 47.7 | Very low | 52.2 | Low | 122 Ų | 122 | 113.6 Ų | 113.6 | 65% | 0.652 | 62% | 0.616 | S | S | * | * | H | α-helix | trans | -61.5 | -37.2 | 179.7 | -60.2 | -36.7 | 0 | 0 | 0 | 112.6 | D27 Y31 T33 | D27-D29 PolarHBondContact O-N 3.23Å; D29-Y31 VanDerWaalsContact C-N 3.29Å; D29-Y31 PolarHBondContact O-N 3.27Å; D29-T33 WeakPolarHBondContact O-CB 3.49Å; D29-T33 PolarHBondContact O-N 2.86Å; D29-T33 VanDerWaalsContact O-N 3.11Å; D29-T33 PolarHBondContact O-OG1 3.5Å |
| 30 | S | 48.6 | Very low | 50.9 | Low | 88 Ų | 88 | 116.3 Ų | 116.3 | 62% | 0.615 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -66.3 | -31 | 176.4 | -70 | 0 | 0 | 0 | 0 | 112.5 | D27 I28 | D27-S30 PolarHBondContact O-N 3.17Å; D27-S30 VanDerWaalsContact O-N 3.16Å; I28-S30 VanDerWaalsContact C-N 3.31Å; I28-S30 PolarHBondContact O-N 3.02Å |
| 31 | Y | 47.6 | Very low | 49.7 | Very low | 174 Ų | 174 | 120.4 Ų | 120.4 | 68% | 0.682 | 65% | 0.645 | S | S | * | * | H | α-helix | trans | -85.7 | -35.8 | 178.6 | -83.2 | -87.6 | 0 | 0 | 0 | 113.3 | V26 I28 D29 | V26-Y31 HydrophobicContact CG1-CD2 4.43Å; I28-Y31 PolarHBondContact O-N 3.15Å; I28-Y31 VanDerWaalsContact O-N 3.1Å; D29-Y31 VanDerWaalsContact C-N 3.29Å; D29-Y31 PolarHBondContact O-N 3.27Å |
| 32 | L | 47.7 | Very low | 48.2 | Very low | 102 Ų | 102 | 120 Ų | 120 | 53% | 0.534 | 64% | 0.642 | S | S | . | * | H | α-helix | trans | -71.7 | -37.3 | 178.2 | -69.7 | 179.6 | 0 | 0 | 0 | 112.6 | I28 G34 Y35 | I28-L32 HydrophobicContact CG2-CD1 3.62Å; I28-L32 HydrophobicContact CG2-CG 3.98Å; I28-L32 PolarHBondContact O-N 3.26Å; L32-G34 PolarHBondContact O-N 3.04Å; L32-Y35 PolarHBondContact O-N 3.05Å |
| 33 | T | 46.1 | Very low | 46.2 | Very low | 115 Ų | 115 | 122.6 Ų | 122.6 | 71% | 0.706 | 65% | 0.653 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -61 | -26.1 | 178.6 | -56.9 | 0 | 0 | 0 | 0 | 112.8 | D29 | D29-T33 WeakPolarHBondContact O-CB 3.49Å; D29-T33 PolarHBondContact O-N 2.86Å; D29-T33 VanDerWaalsContact O-N 3.11Å; D29-T33 PolarHBondContact O-OG1 3.5Å |
| 34 | G | 41.2 | Very low | 45.5 | Very low | 62 Ų | 62 | 126.4 Ų | 126.4 | 64% | 0.639 | 66% | 0.658 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -78.8 | -16.5 | -178 | 0 | 0 | 0 | 0 | 0 | 116 | L32 | L32-G34 PolarHBondContact O-N 3.04Š|
| 35 | Y | 45.5 | Very low | 44.3 | Very low | 199 Ų | 199 | 125.5 Ų | 125.5 | 78% | 0.78 | 66% | 0.664 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -127.4 | -5.1 | -167.4 | -81.6 | -80.8 | 0 | 0 | 0 | 116.3 | L32 | L32-Y35 PolarHBondContact O-N 3.05Š|
| 36 | Y | 35.7 | Very low | 43.9 | Very low | 169 Ų | 169 | 121.3 Ų | 121.3 | 66% | 0.663 | 67% | 0.667 | S | S | * | * | trans | -134.7 | 131.1 | 174 | -72.1 | -86.2 | 0 | 0 | 0 | 111.7 | ||||
| 37 | P | 40.3 | Very low | 43.3 | Very low | 98 Ų | 98 | 123.5 Ų | 123.5 | 64% | 0.636 | 69% | 0.685 | S | S | * | * | trans | -67.9 | 159 | 166.9 | 31.4 | -34.6 | 0 | 0 | 0 | 110.4 | L39 | P37-L39 PolarHBondContact O-N 2.82Š| ||
| 38 | P | 41.8 | Very low | 42.7 | Very low | 116 Ų | 116 | 123.3 Ų | 123.3 | 75% | 0.753 | 69% | 0.693 | S | S | * | * | trans | -64.5 | 100.4 | -171.5 | -23.3 | 35.1 | 0 | 0 | 0 | 113.6 | T40 | P38-T40 PolarHBondContact O-N 3.25Š| ||
| 39 | L | 39.9 | Very low | 41.8 | Very low | 120 Ų | 120 | 123.1 Ų | 123.1 | 63% | 0.628 | 71% | 0.705 | S | S | * | * | trans | -79.4 | 39.1 | 176.8 | -73.6 | 172.9 | 0 | 0 | 0 | 113.1 | P37 I42 | P37-L39 PolarHBondContact O-N 2.82Å; L39-I42 HydrophobicContact CD2-CD1 3.67Å; L39-I42 HydrophobicContact CD2-CG1 4.38Å | ||
| 40 | T | 44.2 | Very low | 41.3 | Very low | 116 Ų | 116 | 127.1 Ų | 127.1 | 71% | 0.712 | 71% | 0.712 | S | S | * | * | trans | -81.5 | -15.5 | -174.9 | -35.1 | 0 | 0 | 0 | 0 | 113.1 | P38 | P38-T40 PolarHBondContact O-N 3.25Š| ||
| 41 | E | 44.2 | Very low | 40.7 | Very low | 170 Ų | 170 | 129 Ų | 129 | 79% | 0.794 | 71% | 0.714 | S | S | * | * | S | Bend | trans | -102.1 | -16.2 | -168.6 | -62.8 | -168.9 | 135.6 | 0 | 0 | 115.6 | N43 | E41-N43 VanDerWaalsContact C-N 3.34Å; E41-N43 PolarHBondContact O-N 3.03Å |
| 42 | I | 41.5 | Very low | 40.3 | Very low | 129 Ų | 129 | 128.5 Ų | 128.5 | 66% | 0.662 | 72% | 0.718 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93 | 27.8 | -166 | -28 | -175.5 | 0 | 0 | 0 | 114.2 | L39 | L39-I42 HydrophobicContact CD2-CD1 3.67Å; L39-I42 HydrophobicContact CD2-CG1 4.38Å |
| 43 | N | 32.7 | Very low | 39.7 | Very low | 160 Ų | 160 | 127.5 Ų | 127.5 | 86% | 0.856 | 72% | 0.716 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -140.7 | 22 | 172.7 | -87.4 | -72.4 | 0 | 0 | 0 | 114.4 | E41 G45 | E41-N43 VanDerWaalsContact C-N 3.34Å; E41-N43 PolarHBondContact O-N 3.03Å; N43-G45 PolarHBondContact O-N 3.42Å |
| 44 | L | 36.2 | Very low | 39.5 | Very low | 140 Ų | 140 | 128 Ų | 128 | 73% | 0.733 | 72% | 0.721 | S | S | * | * | trans | -87 | 88.1 | 166.1 | -84 | 83.9 | 0 | 0 | 0 | 111.3 | ||||
| 45 | G | 37 | Very low | 39.3 | Very low | 54 Ų | 54 | 133.1 Ų | 133.1 | 56% | 0.557 | 73% | 0.726 | S | S | * | * | trans | -66.8 | 153.2 | 145 | 0 | 0 | 0 | 0 | 0 | 109.8 | N43 S47 | N43-G45 PolarHBondContact O-N 3.42Å; G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 2.74Å | ||
| 46 | P | 42.6 | Very low | 39.2 | Very low | 147 Ų | 147 | 132.1 Ų | 132.1 | 96% | 0.955 | 73% | 0.728 | S | S | * | * | S | Bend | trans | -77.6 | 74.1 | -165.1 | 31.6 | -37.4 | 0 | 0 | 0 | 113.6 | ||
| 47 | S | 43.3 | Very low | 39.6 | Very low | 109 Ų | 109 | 129.4 Ų | 129.4 | 76% | 0.762 | 73% | 0.729 | S | S | * | * | trans | -157.4 | 87.2 | 167.2 | -164.7 | 0 | 0 | 0 | 0 | 113.7 | G45 | G45-S47 VanDerWaalsContact C-N 3.34Å; G45-S47 PolarHBondContact O-N 2.74Å | ||
| 48 | S | 37.8 | Very low | 39.8 | Very low | 106 Ų | 106 | 132.5 Ų | 132.5 | 74% | 0.741 | 74% | 0.74 | S | S | * | * | trans | -169.5 | 125.3 | 142.1 | 33.1 | 0 | 0 | 0 | 0 | 109.6 | Y50 | S48-Y50 PolarHBondContact O-N 2.94Å; S48-Y50 VanDerWaalsContact O-N 3.09Å | ||
| 49 | A | 36.3 | Very low | 39.9 | Very low | 89 Ų | 89 | 136 Ų | 136 | 74% | 0.736 | 74% | 0.738 | S | S | * | * | trans | -81.6 | 90.8 | -175.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I51 | A49-I51 HydrophobicContact CB-CD1 4.36Å; A49-I51 HydrophobicContact CB-CG1 4.21Å; A49-I51 PolarHBondContact O-N 3.49Å | ||
| 50 | Y | 37 | Very low | 40.1 | Very low | 206 Ų | 206 | 137.7 Ų | 137.7 | 81% | 0.808 | 75% | 0.747 | S | S | * | * | trans | -72.9 | 67.6 | 166.3 | -164.9 | -92 | 0 | 0 | 0 | 109.9 | S48 Q52 | S48-Y50 PolarHBondContact O-N 2.94Å; S48-Y50 VanDerWaalsContact O-N 3.09Å; Y50-Q52 HydrophobicContact CE1-CB 4.25Å; Y50-Q52 PolarHBondContact O-N 3.33Å | ||
| 51 | I | 36.6 | Very low | 40.1 | Very low | 127 Ų | 127 | 134.9 Ų | 134.9 | 65% | 0.651 | 73% | 0.73 | S | S | * | * | trans | -79.3 | 102.8 | 169.1 | -60.1 | 175.6 | 0 | 0 | 0 | 106.6 | A49 T53 | A49-I51 HydrophobicContact CB-CD1 4.36Å; A49-I51 HydrophobicContact CB-CG1 4.21Å; A49-I51 PolarHBondContact O-N 3.49Å; I51-T53 HydrophobicContact CG2-CG2 4.16Å; I51-T53 PolarHBondContact O-N 3.25Å; I51-T53 PolarHBondContact O-OG1 2.89Å | ||
| 52 | Q | 39.4 | Very low | 40.1 | Very low | 164 Ų | 164 | 135 Ų | 135 | 77% | 0.766 | 74% | 0.735 | S | S | * | * | trans | -65 | 82.7 | 174.8 | -171.8 | 177.5 | 6.6 | 0 | 0 | 109.8 | Y50 | Y50-Q52 HydrophobicContact CE1-CB 4.25Å; Y50-Q52 PolarHBondContact O-N 3.33Å | ||
| 53 | T | 33.7 | Very low | 40.6 | Very low | 82 Ų | 82 | 135.4 Ų | 135.4 | 50% | 0.503 | 74% | 0.739 | S | S | . | * | trans | -78.4 | 126.9 | 178 | 26.5 | 0 | 0 | 0 | 0 | 109.3 | I51 F55 | I51-T53 HydrophobicContact CG2-CG2 4.16Å; I51-T53 PolarHBondContact O-N 3.25Å; I51-T53 PolarHBondContact O-OG1 2.89Å; T53-F55 VanDerWaalsContact C-N 3.26Å; T53-F55 HydrophobicContact CG2-CE2 4.31Å; T53-F55 PolarHBondContact O-N 3.02Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.35Å | ||
| 54 | P | 43.7 | Very low | 41.3 | Very low | 125 Ų | 125 | 131 Ų | 131 | 81% | 0.812 | 73% | 0.731 | S | S | * | * | trans | -79.6 | 71.4 | -174 | 33 | -36.4 | 0 | 0 | 0 | 111.4 | ||||
| 55 | F | 36.2 | Very low | 42 | Very low | 169 Ų | 169 | 134.2 Ų | 134.2 | 74% | 0.741 | 74% | 0.735 | S | S | * | * | P | Polyproline II helix | trans | -74.2 | 139.6 | 170.5 | -73.2 | -72.1 | 0 | 0 | 0 | 110.9 | T53 V57 | T53-F55 VanDerWaalsContact C-N 3.26Å; T53-F55 HydrophobicContact CG2-CE2 4.31Å; T53-F55 PolarHBondContact O-N 3.02Å; T53-F55 WeakPolarHBondContact OG1-CE2 3.35Å; F55-V57 PolarHBondContact O-N 2.99Å |
| 56 | H | 43.9 | Very low | 42.8 | Very low | 178 Ų | 178 | 134.7 Ų | 134.7 | 82% | 0.824 | 74% | 0.739 | S | S | * | * | P | Polyproline II helix | trans | -62.2 | 125.1 | -162.8 | -57.7 | -76.8 | 0 | 0 | 0 | 113.7 | L58 | H56-L58 PolarHBondContact O-N 2.93Š|
| 57 | V | 42.7 | Very low | 43.5 | Very low | 113 Ų | 113 | 130.6 Ų | 130.6 | 69% | 0.685 | 71% | 0.712 | S | S | * | * | P | Polyproline II helix | trans | -59.6 | 119.6 | 159.7 | 176.1 | 0 | 0 | 0 | 0 | 107.6 | F55 R59 | F55-V57 PolarHBondContact O-N 2.99Å; V57-R59 PolarHBondContact O-N 2.95Å |
| 58 | L | 46.1 | Very low | 44.3 | Very low | 163 Ų | 163 | 131.2 Ų | 131.2 | 85% | 0.853 | 70% | 0.702 | S | S | * | * | S | Bend | trans | -76.3 | 102.2 | -176.9 | -158.9 | 83 | 0 | 0 | 0 | 110.2 | H56 | H56-L58 PolarHBondContact O-N 2.93Š|
| 59 | R | 43.9 | Very low | 45.1 | Very low | 190 Ų | 190 | 131.3 Ų | 131.3 | 72% | 0.717 | 70% | 0.7 | S | S | * | * | trans | 69.1 | 89.6 | 168.7 | -164.5 | -179.8 | -166.2 | 164.7 | 2.6 | 114.7 | V57 T61 | V57-R59 PolarHBondContact O-N 2.95Å; R59-T61 PolarHBondContact O-N 3.39Å; R59-T61 PolarHBondContact O-OG1 2.96Å | ||
| 60 | D | 42.2 | Very low | 45.8 | Very low | 154 Ų | 154 | 135.7 Ų | 135.7 | 82% | 0.824 | 70% | 0.703 | S | S | * | * | trans | -42.5 | 121.9 | 156 | -146.9 | -9.3 | 0 | 0 | 0 | 109.5 | ||||
| 61 | T | 45 | Very low | 46.9 | Very low | 57 Ų | 57 | 128.1 Ų | 128.1 | 35% | 0.35 | 68% | 0.68 | S | S | . | * | trans | -135.9 | 148.4 | 175.4 | -13.5 | 0 | 0 | 0 | 0 | 109.4 | R59 D63 G64 R81 | R59-T61 PolarHBondContact O-N 3.39Å; R59-T61 PolarHBondContact O-OG1 2.96Å; T61-D63 PolarHBondContact O-N 3.49Å; T61-G64 PolarHBondContact O-N 3.34Å; T61-R81 PolarHBondContact OG1-NH2 3.25Å | ||
| 62 | L | 44.6 | Very low | 47.7 | Very low | 174 Ų | 174 | 127.4 Ų | 127.4 | 91% | 0.911 | 68% | 0.683 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.2 | -15.1 | -156.6 | -155.5 | 65.5 | 0 | 0 | 0 | 116.5 | ||
| 63 | D | 51.9 | Low | 48.6 | Very low | 137 Ų | 137 | 125 Ų | 125 | 73% | 0.733 | 67% | 0.672 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -99.3 | 6.3 | -177.3 | -49.3 | -61.3 | 0 | 0 | 0 | 114.1 | T61 Y65 | T61-D63 PolarHBondContact O-N 3.49Å; D63-Y65 VanDerWaalsContact O-CD2 3.3Å; D63-Y65 WeakPolarHBondContact O-CD2 3.41Å; D63-Y65 PolarHBondContact O-N 3.06Å; D63-Y65 VanDerWaalsContact O-N 3.17Å |
| 64 | G | 48.3 | Very low | 50.1 | Low | 66 Ų | 66 | 123.3 Ų | 123.3 | 68% | 0.68 | 66% | 0.659 | S | S | * | * | trans | 78.8 | -7 | 161.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | T61 G66 | T61-G64 PolarHBondContact O-N 3.34Å; G64-G66 PolarHBondContact O-N 3.42Å | ||
| 65 | Y | 49.4 | Very low | 51 | Low | 209 Ų | 209 | 123.7 Ų | 123.7 | 82% | 0.82 | 66% | 0.655 | S | S | * | * | trans | -86.7 | 91 | 179.1 | -73.8 | -85.2 | 0 | 0 | 0 | 113 | D63 | D63-Y65 VanDerWaalsContact O-CD2 3.3Å; D63-Y65 WeakPolarHBondContact O-CD2 3.41Å; D63-Y65 PolarHBondContact O-N 3.06Å; D63-Y65 VanDerWaalsContact O-N 3.17Å | ||
| 66 | G | 54.6 | Low | 52.4 | Low | 63 Ų | 63 | 124.3 Ų | 124.3 | 65% | 0.649 | 65% | 0.653 | S | S | * | * | trans | -79.2 | 113.3 | 170.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | G64 | G64-G66 PolarHBondContact O-N 3.42Š| ||
| 67 | V | 57.1 | Low | 53.6 | Low | 62 Ų | 62 | 118.8 Ų | 118.8 | 38% | 0.376 | 63% | 0.627 | S | S | . | * | trans | -96.2 | 132.6 | -178.2 | -169.2 | 0 | 0 | 0 | 0 | 111.1 | C71 L74 F77 | V67-C71 HydrophobicContact CG1-CB 3.67Å; V67-L74 HydrophobicContact CB-CD1 4.31Å; V67-L74 HydrophobicContact CG1-CD1 3.55Å; V67-F77 HydrophobicContact CG2-CD2 4.32Å; V67-F77 HydrophobicContact CG2-CE2 4.37Å | ||
| 68 | H | 60.8 | Low | 55.1 | Low | 121 Ų | 121 | 119 Ų | 119 | 56% | 0.56 | 62% | 0.619 | S | S | * | * | trans | -74.2 | 140.1 | -177.6 | -179.8 | -97.9 | 0 | 0 | 0 | 111.8 | K70 C71 | H68-K70 PolarHBondContact ND1-N 3.03Å; H68-K70 PolarHBondContact O-N 3.45Å; H68-C71 WeakPolarHBondContact O-CB 3.35Å; H68-C71 PolarHBondContact O-N 3.27Å | ||
| 69 | P | 52.8 | Low | 56.2 | Low | 109 Ų | 109 | 113.4 Ų | 113.4 | 71% | 0.708 | 60% | 0.597 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.9 | 21.6 | -175.9 | 30 | -38.7 | 0 | 0 | 0 | 115.8 | ||
| 70 | K | 51 | Low | 57.5 | Low | 180 Ų | 180 | 106.1 Ų | 106.1 | 78% | 0.783 | 58% | 0.575 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -134.8 | 17.2 | 169.2 | -58.4 | -172.5 | 179 | -179.4 | 0 | 112.8 | H68 | H68-K70 PolarHBondContact ND1-N 3.03Å; H68-K70 PolarHBondContact O-N 3.45Å |
| 71 | C | 60.1 | Low | 58.7 | Low | 48 Ų | 48 | 102.9 Ų | 102.9 | 32% | 0.324 | 55% | 0.551 | S | S | . | * | trans | -74.5 | 127.8 | 174.9 | -133.8 | 0 | 0 | 0 | 0 | 109.5 | V67 H68 E73 L74 | V67-C71 HydrophobicContact CG1-CB 3.67Å; H68-C71 WeakPolarHBondContact O-CB 3.35Å; H68-C71 PolarHBondContact O-N 3.27Å; C71-E73 PolarHBondContact O-N 3.05Å; C71-E73 PolarHBondContact SG-OE2 3.05Å; C71-L74 HydrophobicContact CB-CD1 4.05Å; C71-L74 PolarHBondContact O-N 3.07Å | ||
| 72 | P | 54.7 | Low | 60 | Low | 111 Ų | 111 | 109 Ų | 109 | 72% | 0.721 | 57% | 0.567 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -58.5 | -26.3 | 177.3 | -26.1 | 35.7 | 0 | 0 | 0 | 114.3 | L74 | P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.16Å |
| 73 | E | 58.3 | Low | 61.3 | Low | 114 Ų | 114 | 105.6 Ų | 105.6 | 53% | 0.533 | 55% | 0.55 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -82.6 | 6.8 | -175.7 | -54.5 | 75.2 | -164.3 | 0 | 0 | 113.8 | C71 D75 Y76 F77 | C71-E73 PolarHBondContact O-N 3.05Å; C71-E73 PolarHBondContact SG-OE2 3.05Å; E73-D75 VanDerWaalsContact C-N 3.26Å; E73-D75 PolarHBondContact O-N 3.5Å; E73-Y76 WeakPolarHBondContact O-CB 3.28Å; E73-Y76 PolarHBondContact O-N 3.36Å; E73-F77 PolarHBondContact O-N 3.2Å; E73-F77 VanDerWaalsContact O-N 3.09Å |
| 74 | L | 65.2 | Low | 62.2 | Low | 47 Ų | 47 | 103.8 Ų | 103.8 | 25% | 0.246 | 54% | 0.54 | C | S | . | . | H | α-helix | trans | -56.8 | -39.3 | -177.7 | -127.7 | 69.3 | 0 | 0 | 0 | 112.5 | V67 C71 P72 Y76 F77 F78 | V67-L74 HydrophobicContact CB-CD1 4.31Å; V67-L74 HydrophobicContact CG1-CD1 3.55Å; C71-L74 HydrophobicContact CB-CD1 4.05Å; C71-L74 PolarHBondContact O-N 3.07Å; P72-L74 VanDerWaalsContact C-N 3.25Å; P72-L74 PolarHBondContact O-N 3.16Å; L74-Y76 VanDerWaalsContact C-N 3.32Å; L74-Y76 PolarHBondContact O-N 3.02Å; L74-F77 WeakPolarHBondContact O-CB 3.33Å; L74-F77 PolarHBondContact O-N 3.25Å; L74-F78 HydrophobicContact CB-CE2 4.44Å; L74-F78 HydrophobicContact CD2-CE2 3.93Å; L74-F78 HydrophobicContact CG-CD2 4.36Å; L74-F78 HydrophobicContact CG-CE2 3.8Å; L74-F78 WeakPolarHBondContact O-CD2 3.32Å; L74-F78 PolarHBondContact O-N 3.08Å |
| 75 | D | 62.6 | Low | 63.2 | Low | 133 Ų | 133 | 104.2 Ų | 104.2 | 71% | 0.711 | 53% | 0.526 | S | S | * | . | H | α-helix | trans | -63.7 | -37.4 | 178 | -67.7 | -20.9 | 0 | 0 | 0 | 111.8 | E73 F78 A79 | E73-D75 VanDerWaalsContact C-N 3.26Å; E73-D75 PolarHBondContact O-N 3.5Å; D75-F78 PolarHBondContact O-N 2.78Å; D75-A79 WeakPolarHBondContact O-CB 3.46Å; D75-A79 PolarHBondContact O-N 3.34Å |
| 76 | Y | 65.4 | Low | 64.2 | Low | 182 Ų | 182 | 99 Ų | 99 | 71% | 0.714 | 51% | 0.509 | S | S | * | . | H | α-helix | trans | -68.1 | -38.4 | 174.8 | -175.9 | -95.9 | 0 | 0 | 0 | 111.6 | E73 L74 S80 | E73-Y76 WeakPolarHBondContact O-CB 3.28Å; E73-Y76 PolarHBondContact O-N 3.36Å; L74-Y76 VanDerWaalsContact C-N 3.32Å; L74-Y76 PolarHBondContact O-N 3.02Å; Y76-S80 VanDerWaalsContact O-CB 3.28Å; Y76-S80 WeakPolarHBondContact O-CB 3.44Å; Y76-S80 PolarHBondContact O-N 3.28Å; Y76-S80 PolarHBondContact O-OG 3.24Å |
| 77 | F | 69.8 | Low | 64.9 | Low | 61 Ų | 61 | 100.7 Ų | 100.7 | 27% | 0.268 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -64.6 | -42.7 | 175.3 | -177.4 | -96.8 | 0 | 0 | 0 | 112.3 | V67 E73 L74 S80 R81 | V67-F77 HydrophobicContact CG2-CD2 4.32Å; V67-F77 HydrophobicContact CG2-CE2 4.37Å; E73-F77 PolarHBondContact O-N 3.2Å; E73-F77 VanDerWaalsContact O-N 3.09Å; L74-F77 WeakPolarHBondContact O-CB 3.33Å; L74-F77 PolarHBondContact O-N 3.25Å; F77-S80 PolarHBondContact O-OG 3.29Å; F77-S80 VanDerWaalsContact O-OG 3.11Å; F77-R81 PolarHBondContact O-N 3.36Å; F77-R81 VanDerWaalsContact O-N 3.15Å |
| 78 | F | 72.8 | Confident | 65.5 | Low | 117 Ų | 117 | 106.2 Ų | 106.2 | 51% | 0.513 | 52% | 0.521 | S | S | . | . | H | α-helix | trans | -72.8 | -39.7 | 176.7 | -70 | -59.1 | 0 | 0 | 0 | 112.9 | L74 D75 R81 R82 | L74-F78 HydrophobicContact CB-CE2 4.44Å; L74-F78 HydrophobicContact CD2-CE2 3.93Å; L74-F78 HydrophobicContact CG-CD2 4.36Å; L74-F78 HydrophobicContact CG-CE2 3.8Å; L74-F78 WeakPolarHBondContact O-CD2 3.32Å; L74-F78 PolarHBondContact O-N 3.08Å; D75-F78 PolarHBondContact O-N 2.78Å; F78-R81 PolarHBondContact O-N 3.05Å; F78-R82 WeakPolarHBondContact O-CB 3.49Å; F78-R82 PolarHBondContact O-N 3.4Å |
| 79 | A | 70.5 | Confident | 65.8 | Low | 47 Ų | 47 | 107.1 Ų | 107.1 | 39% | 0.388 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -62.5 | -46.7 | 175.4 | 0 | 0 | 0 | 0 | 0 | 111.9 | D75 R82 L83 | D75-A79 WeakPolarHBondContact O-CB 3.46Å; D75-A79 PolarHBondContact O-N 3.34Å; A79-R82 PolarHBondContact O-N 3.46Å; A79-L83 WeakPolarHBondContact O-CB 3.22Å; A79-L83 WeakPolarHBondContact O-CG 3.46Å; A79-L83 PolarHBondContact O-N 2.92Å |
| 80 | S | 69.6 | Low | 66.5 | Low | 37 Ų | 37 | 108.7 Ų | 108.7 | 26% | 0.259 | 53% | 0.532 | S | S | . | . | H | α-helix | trans | -64.6 | -39.5 | 178.3 | 55 | 0 | 0 | 0 | 0 | 112.7 | Y76 F77 L83 L84 | Y76-S80 VanDerWaalsContact O-CB 3.28Å; Y76-S80 WeakPolarHBondContact O-CB 3.44Å; Y76-S80 PolarHBondContact O-N 3.28Å; Y76-S80 PolarHBondContact O-OG 3.24Å; F77-S80 PolarHBondContact O-OG 3.29Å; F77-S80 VanDerWaalsContact O-OG 3.11Å; S80-L83 PolarHBondContact O-N 2.99Å; S80-L84 WeakPolarHBondContact O-CB 3.45Å; S80-L84 VanDerWaalsContact O-CG 3.27Å; S80-L84 WeakPolarHBondContact O-CG 3.43Å; S80-L84 PolarHBondContact O-N 3.3Å |
| 81 | R | 67.9 | Low | 66.5 | Low | 85 Ų | 85 | 102.2 Ų | 102.2 | 32% | 0.321 | 52% | 0.516 | S | S | . | . | H | α-helix | trans | -61.4 | -47.4 | 171.4 | -100.2 | -172.5 | 176.7 | 167.9 | 3.7 | 112.6 | T61 F77 F78 L83 L84 D85 | T61-R81 PolarHBondContact OG1-NH2 3.25Å; F77-R81 PolarHBondContact O-N 3.36Å; F77-R81 VanDerWaalsContact O-N 3.15Å; F78-R81 PolarHBondContact O-N 3.05Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 2.85Å; R81-L84 PolarHBondContact O-N 3.38Å; R81-D85 PolarHBondContact O-N 2.69Å |
| 82 | R | 72.9 | Confident | 66.3 | Low | 185 Ų | 185 | 105.2 Ų | 105.2 | 70% | 0.698 | 54% | 0.538 | S | S | * | . | H | α-helix | trans | -57.6 | -46.9 | 177.5 | 174.9 | 177.1 | 160.4 | 177.3 | -5.1 | 111.4 | F78 A79 L84 D85 E86 | F78-R82 WeakPolarHBondContact O-CB 3.49Å; F78-R82 PolarHBondContact O-N 3.4Å; A79-R82 PolarHBondContact O-N 3.46Å; R82-L84 PolarHBondContact O-N 3.35Å; R82-D85 PolarHBondContact O-N 3.14Å; R82-E86 VanDerWaalsContact O-CB 3.26Å; R82-E86 WeakPolarHBondContact O-CB 3.29Å; R82-E86 PolarHBondContact O-N 3.24Å |
| 83 | L | 72.1 | Confident | 66 | Low | 104 Ų | 104 | 104 Ų | 104 | 55% | 0.545 | 53% | 0.53 | S | S | . | . | H | α-helix | trans | -63.6 | -38 | 177.1 | -70.9 | 168.4 | 0 | 0 | 0 | 112.6 | A79 S80 R81 E86 V87 | A79-L83 WeakPolarHBondContact O-CB 3.22Å; A79-L83 WeakPolarHBondContact O-CG 3.46Å; A79-L83 PolarHBondContact O-N 2.92Å; S80-L83 PolarHBondContact O-N 2.99Å; R81-L83 VanDerWaalsContact C-N 3.35Å; R81-L83 PolarHBondContact O-N 2.85Å; L83-E86 PolarHBondContact O-N 3.1Å; L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.37Å; L83-V87 PolarHBondContact O-N 2.71Å |
| 84 | L | 71.1 | Confident | 65.6 | Low | 99 Ų | 99 | 109.6 Ų | 109.6 | 52% | 0.518 | 55% | 0.546 | S | S | . | . | H | α-helix | trans | -68.5 | -39.1 | 177 | -76.3 | 168.9 | 0 | 0 | 0 | 112.8 | S80 R81 R82 R88 | S80-L84 WeakPolarHBondContact O-CB 3.45Å; S80-L84 VanDerWaalsContact O-CG 3.27Å; S80-L84 WeakPolarHBondContact O-CG 3.43Å; S80-L84 PolarHBondContact O-N 3.3Å; R81-L84 PolarHBondContact O-N 3.38Å; R82-L84 PolarHBondContact O-N 3.35Å; L84-R88 WeakPolarHBondContact O-CD 3.45Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 2.95Å |
| 85 | D | 67.8 | Low | 64.5 | Low | 74 Ų | 74 | 115 Ų | 115 | 40% | 0.396 | 57% | 0.568 | S | S | . | * | H | α-helix | trans | -74.1 | -32.4 | 175.3 | -70.6 | -26.6 | 0 | 0 | 0 | 111.6 | R81 R82 R88 N89 | R81-D85 PolarHBondContact O-N 2.69Å; R82-D85 PolarHBondContact O-N 3.14Å; D85-R88 PolarHBondContact O-N 3.28Å; D85-R88 IonicContact OD1-NH1 3.59Å; D85-R88 PolarHBondContact OD1-NH1 2.81Å; D85-N89 VanDerWaalsContact O-CB 3.31Å; D85-N89 WeakPolarHBondContact O-CB 3.34Å; D85-N89 PolarHBondContact O-N 3.35Å; D85-N89 PolarHBondContact O-ND2 3.46Å; D85-N89 VanDerWaalsContact O-ND2 3.13Å |
| 86 | E | 70.4 | Confident | 63.3 | Low | 100 Ų | 100 | 117.5 Ų | 117.5 | 47% | 0.467 | 58% | 0.575 | S | S | . | * | H | α-helix | trans | -62.2 | -46.4 | 169.4 | -168.8 | 162.9 | -174.6 | 0 | 0 | 111.4 | R82 L83 R88 N89 L90 | R82-E86 VanDerWaalsContact O-CB 3.26Å; R82-E86 WeakPolarHBondContact O-CB 3.29Å; R82-E86 PolarHBondContact O-N 3.24Å; L83-E86 PolarHBondContact O-N 3.1Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.39Å; E86-N89 PolarHBondContact O-N 3.32Å; E86-N89 VanDerWaalsContact O-N 3.16Å; E86-L90 WeakPolarHBondContact O-CG 3.5Å; E86-L90 PolarHBondContact O-N 3.19Å |
| 87 | V | 70.9 | Confident | 62.2 | Low | 99 Ų | 99 | 114.8 Ų | 114.8 | 60% | 0.6 | 58% | 0.577 | S | S | * | * | H | α-helix | trans | -61.7 | -33.1 | 173.2 | 166 | 0 | 0 | 0 | 0 | 112.9 | L83 | L83-V87 WeakPolarHBondContact O-CB 3.42Å; L83-V87 VanDerWaalsContact O-CG2 3.26Å; L83-V87 WeakPolarHBondContact O-CG2 3.37Å; L83-V87 PolarHBondContact O-N 2.71Å |
| 88 | R | 69.3 | Low | 61 | Low | 178 Ų | 178 | 119.9 Ų | 119.9 | 67% | 0.672 | 60% | 0.602 | S | S | * | * | H | α-helix | trans | -72.3 | -40.5 | 173 | -73.7 | 162.6 | 171.7 | 175.9 | -4.6 | 112 | L84 D85 E86 L90 G91 | L84-R88 WeakPolarHBondContact O-CD 3.45Å; L84-R88 VanDerWaalsContact O-CG 3.25Å; L84-R88 WeakPolarHBondContact O-CG 3.41Å; L84-R88 PolarHBondContact O-N 2.95Å; D85-R88 PolarHBondContact O-N 3.28Å; D85-R88 IonicContact OD1-NH1 3.59Å; D85-R88 PolarHBondContact OD1-NH1 2.81Å; E86-R88 VanDerWaalsContact C-N 3.3Å; E86-R88 PolarHBondContact O-N 3.39Å; R88-L90 VanDerWaalsContact C-N 3.32Å; R88-L90 PolarHBondContact O-N 3.32Å; R88-G91 PolarHBondContact O-N 3.09Å |
| 89 | N | 66.6 | Low | 59.8 | Low | 140 Ų | 140 | 121.6 Ų | 121.6 | 75% | 0.749 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -71.3 | -23.4 | -179.6 | -71.3 | -25 | 0 | 0 | 0 | 113.4 | D85 E86 G91 | D85-N89 VanDerWaalsContact O-CB 3.31Å; D85-N89 WeakPolarHBondContact O-CB 3.34Å; D85-N89 PolarHBondContact O-N 3.35Å; D85-N89 PolarHBondContact O-ND2 3.46Å; D85-N89 VanDerWaalsContact O-ND2 3.13Å; E86-N89 PolarHBondContact O-N 3.32Å; E86-N89 VanDerWaalsContact O-N 3.16Å; N89-G91 PolarHBondContact O-N 3.34Å; N89-G91 VanDerWaalsContact O-N 3.11Å |
| 90 | L | 67.8 | Low | 58.7 | Low | 142 Ų | 142 | 125 Ų | 125 | 74% | 0.743 | 63% | 0.627 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -59.6 | -16.8 | 171.1 | -77.2 | 174 | 0 | 0 | 0 | 113.8 | E86 R88 | E86-L90 WeakPolarHBondContact O-CG 3.5Å; E86-L90 PolarHBondContact O-N 3.19Å; R88-L90 VanDerWaalsContact C-N 3.32Å; R88-L90 PolarHBondContact O-N 3.32Å |
| 91 | G | 51.7 | Low | 58.1 | Low | 44 Ų | 44 | 127.5 Ų | 127.5 | 45% | 0.454 | 65% | 0.65 | S | S | . | * | trans | 76.6 | 111.8 | 171.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | R88 N89 P93 | R88-G91 PolarHBondContact O-N 3.09Å; N89-G91 PolarHBondContact O-N 3.34Å; N89-G91 VanDerWaalsContact O-N 3.11Å; G91-P93 WeakPolarHBondContact O-CD 3.41Å | ||
| 92 | S | 55.3 | Low | 57.1 | Low | 111 Ų | 111 | 134 Ų | 134 | 78% | 0.776 | 68% | 0.675 | S | S | * | * | trans | -55 | 112.1 | -176.5 | -176.2 | 0 | 0 | 0 | 0 | 112.5 | R94 | S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 VanDerWaalsContact O-N 3.14Å | ||
| 93 | P | 48.2 | Very low | 55.8 | Low | 85 Ų | 85 | 133.5 Ų | 133.5 | 55% | 0.552 | 69% | 0.685 | S | S | * | * | trans | -74.4 | 110 | 176.4 | -8.4 | 25.2 | 0 | 0 | 0 | 108.1 | G91 F95 | G91-P93 WeakPolarHBondContact O-CD 3.41Å; P93-F95 HydrophobicContact CB-CD2 4.15Å; P93-F95 HydrophobicContact CB-CE1 4.39Å; P93-F95 HydrophobicContact CB-CE2 3.65Å; P93-F95 HydrophobicContact CB-CZ 3.78Å; P93-F95 HydrophobicContact CG-CE2 4.1Å; P93-F95 HydrophobicContact CG-CZ 4.36Å; P93-F95 WeakPolarHBondContact O-CD2 3.48Å; P93-F95 PolarHBondContact O-N 3.23Å | ||
| 94 | R | 49 | Very low | 55 | Low | 231 Ų | 231 | 134.7 Ų | 134.7 | 87% | 0.872 | 70% | 0.697 | S | S | * | * | trans | -72.7 | 74.6 | 177 | -72.4 | -176.2 | 175.6 | 169 | -0.9 | 111.1 | S92 H96 | S92-R94 PolarHBondContact O-N 3.31Å; S92-R94 VanDerWaalsContact O-N 3.14Å; R94-H96 PolarHBondContact O-N 2.94Å | ||
| 95 | F | 42.7 | Very low | 53.6 | Low | 162 Ų | 162 | 137.7 Ų | 137.7 | 71% | 0.711 | 71% | 0.707 | S | S | * | * | trans | -65.5 | 119.6 | 167.4 | -60.1 | -65.5 | 0 | 0 | 0 | 109.5 | P93 T97 | P93-F95 HydrophobicContact CB-CD2 4.15Å; P93-F95 HydrophobicContact CB-CE1 4.39Å; P93-F95 HydrophobicContact CB-CE2 3.65Å; P93-F95 HydrophobicContact CB-CZ 3.78Å; P93-F95 HydrophobicContact CG-CE2 4.1Å; P93-F95 HydrophobicContact CG-CZ 4.36Å; P93-F95 WeakPolarHBondContact O-CD2 3.48Å; P93-F95 PolarHBondContact O-N 3.23Å; F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 HydrophobicContact CB-CG2 4.45Å; F95-T97 PolarHBondContact O-N 3.41Å | ||
| 96 | H | 38.2 | Very low | 52.4 | Low | 185 Ų | 185 | 142.7 Ų | 142.7 | 86% | 0.856 | 73% | 0.728 | S | S | * | * | trans | -73.4 | 86.4 | 167.9 | -80.1 | -75.7 | 0 | 0 | 0 | 109.6 | R94 Q98 | R94-H96 PolarHBondContact O-N 2.94Å; H96-Q98 VanDerWaalsContact C-N 3.32Å; H96-Q98 PolarHBondContact O-N 3.1Å | ||
| 97 | T | 41.4 | Very low | 51 | Low | 125 Ų | 125 | 144.1 Ų | 144.1 | 77% | 0.767 | 74% | 0.744 | S | S | * | * | trans | -72.7 | 81.2 | 175.4 | 42 | 0 | 0 | 0 | 0 | 111.2 | F95 L99 | F95-T97 VanDerWaalsContact C-N 3.3Å; F95-T97 HydrophobicContact CB-CG2 4.45Å; F95-T97 PolarHBondContact O-N 3.41Å; T97-L99 VanDerWaalsContact C-N 3.32Å; T97-L99 PolarHBondContact O-N 3.16Å | ||
| 98 | Q | 44.5 | Very low | 49.6 | Very low | 168 Ų | 168 | 144.3 Ų | 144.3 | 79% | 0.785 | 75% | 0.75 | S | S | * | * | trans | -66.1 | 95.1 | 160.8 | -82 | -168 | -24.7 | 0 | 0 | 109 | H96 N100 | H96-Q98 VanDerWaalsContact C-N 3.32Å; H96-Q98 PolarHBondContact O-N 3.1Å; Q98-N100 VanDerWaalsContact C-N 3.31Å; Q98-N100 PolarHBondContact O-N 3.37Å | ||
| 99 | L | 47.7 | Very low | 48 | Very low | 152 Ų | 152 | 141.5 Ų | 141.5 | 80% | 0.796 | 76% | 0.757 | S | S | * | * | trans | -78.7 | 79.7 | -176.9 | -157.2 | 168.1 | 0 | 0 | 0 | 109.9 | T97 A101 | T97-L99 VanDerWaalsContact C-N 3.32Å; T97-L99 PolarHBondContact O-N 3.16Å; L99-A101 HydrophobicContact CD2-CB 4.23Å; L99-A101 PolarHBondContact O-N 2.96Å | ||
| 100 | N | 48.3 | Very low | 46.6 | Very low | 118 Ų | 118 | 141.2 Ų | 141.2 | 63% | 0.631 | 76% | 0.761 | S | S | * | * | trans | -76.2 | 86.8 | 176.3 | -68.3 | -25.8 | 0 | 0 | 0 | 110.3 | Q98 | Q98-N100 VanDerWaalsContact C-N 3.31Å; Q98-N100 PolarHBondContact O-N 3.37Å | ||
| 101 | A | 55.8 | Low | 45 | Very low | 90 Ų | 90 | 137.8 Ų | 137.8 | 74% | 0.744 | 76% | 0.759 | S | S | * | * | trans | -73.4 | 126.6 | 171.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | L99 | L99-A101 HydrophobicContact CD2-CB 4.23Å; L99-A101 PolarHBondContact O-N 2.96Å | ||
| 102 | W | 46.6 | Very low | 44.8 | Very low | 221 Ų | 221 | 142 Ų | 142 | 84% | 0.837 | 78% | 0.779 | S | S | * | * | trans | -108.6 | 121.6 | 175.6 | -64.7 | 83 | 0 | 0 | 0 | 109.7 | V104 | W102-V104 PolarHBondContact O-N 2.98Š| ||
| 103 | L | 46.9 | Very low | 43.8 | Very low | 176 Ų | 176 | 142.7 Ų | 142.7 | 92% | 0.921 | 78% | 0.784 | S | S | * | * | trans | -80.3 | 97.8 | -179.8 | -160 | 86.9 | 0 | 0 | 0 | 110.5 | H105 | L103-H105 PolarHBondContact O-N 3.26Š| ||
| 104 | V | 55.1 | Low | 43.1 | Very low | 129 Ų | 129 | 144.8 Ų | 144.8 | 78% | 0.782 | 80% | 0.795 | S | S | * | * | trans | -83.5 | 101.1 | 176.5 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | W102 Q106 | W102-V104 PolarHBondContact O-N 2.98Å; V104-Q106 PolarHBondContact O-N 2.74Å | ||
| 105 | H | 40.8 | Very low | 42.4 | Very low | 161 Ų | 161 | 139.6 Ų | 139.6 | 75% | 0.745 | 80% | 0.795 | S | S | * | * | trans | -69.7 | 115.2 | 174.9 | -162.6 | 154.5 | 0 | 0 | 0 | 109.9 | L103 V107 | L103-H105 PolarHBondContact O-N 3.26Å; H105-V107 PolarHBondContact O-N 3.28Å; H105-V107 VanDerWaalsContact O-N 3.11Å | ||
| 106 | Q | 43.5 | Very low | 41.7 | Very low | 179 Ų | 179 | 135.6 Ų | 135.6 | 84% | 0.836 | 80% | 0.798 | S | S | * | * | trans | -71.5 | 101.7 | 170.7 | -70.1 | -170.6 | 12.9 | 0 | 0 | 110.2 | V104 S108 | V104-Q106 PolarHBondContact O-N 2.74Å; Q106-S108 PolarHBondContact O-N 3.02Å | ||
| 107 | V | 41.2 | Very low | 41.4 | Very low | 130 Ų | 130 | 134.5 Ų | 134.5 | 79% | 0.788 | 80% | 0.799 | S | S | * | * | trans | -74.9 | 109.3 | 166.5 | 180 | 0 | 0 | 0 | 0 | 107.9 | H105 S109 | H105-V107 PolarHBondContact O-N 3.28Å; H105-V107 VanDerWaalsContact O-N 3.11Å; V107-S109 PolarHBondContact O-N 3.48Å | ||
| 108 | S | 41.5 | Very low | 42 | Very low | 104 Ų | 104 | 133.4 Ų | 133.4 | 73% | 0.727 | 79% | 0.794 | S | S | * | * | trans | -64.8 | 131.2 | 178.7 | -169.5 | 0 | 0 | 0 | 0 | 111.1 | Q106 T110 | Q106-S108 PolarHBondContact O-N 3.02Å; S108-T110 PolarHBondContact O-N 3.45Å; S108-T110 VanDerWaalsContact O-N 3.08Å | ||
| 109 | S | 34.5 | Very low | 41.3 | Very low | 118 Ų | 118 | 132.7 Ų | 132.7 | 83% | 0.825 | 80% | 0.795 | S | S | * | * | trans | -85.1 | 82.1 | -167.3 | 60.8 | 0 | 0 | 0 | 0 | 113.3 | V107 | V107-S109 PolarHBondContact O-N 3.48Š| ||
| 110 | T | 38.8 | Very low | 40.6 | Very low | 134 Ų | 134 | 129.6 Ų | 129.6 | 82% | 0.822 | 79% | 0.792 | S | S | * | * | trans | -102.1 | 97.3 | 163.8 | 55.2 | 0 | 0 | 0 | 0 | 110.7 | S108 | S108-T110 PolarHBondContact O-N 3.45Å; S108-T110 VanDerWaalsContact O-N 3.08Å | ||
| 111 | G | 33.3 | Very low | 39.8 | Very low | 70 Ų | 70 | 128.9 Ų | 128.9 | 72% | 0.722 | 80% | 0.796 | S | S | * | * | trans | -96.4 | -177.6 | 161.7 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 112 | P | 47.8 | Very low | 38.7 | Very low | 132 Ų | 132 | 131.7 Ų | 131.7 | 86% | 0.857 | 80% | 0.804 | S | S | * | * | cis | -127.4 | 139.9 | -10 | 36.5 | -21.5 | 0 | 0 | 0 | 113 | ||||
| 113 | S | 33.3 | Very low | 37.8 | Very low | 126 Ų | 126 | 124.4 Ų | 124.4 | 88% | 0.881 | 80% | 0.797 | S | S | * | * | trans | -151.6 | 151.8 | 161.9 | 55.9 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 114 | T | 33.8 | Very low | 37.1 | Very low | 130 Ų | 130 | 123.9 Ų | 123.9 | 80% | 0.798 | 80% | 0.795 | S | S | * | * | trans | -78.9 | 154.4 | -160.2 | -26.4 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 115 | S | 34.3 | Very low | 35.9 | Very low | 122 Ų | 122 | 126 Ų | 126 | 85% | 0.853 | 80% | 0.796 | S | S | * | * | trans | 74.9 | 143.6 | 151.1 | 74 | 0 | 0 | 0 | 0 | 120.3 | ||||
| 116 | G | 28.5 | Very low | 35.3 | Very low | 77 Ų | 77 | 122.6 Ų | 122.6 | 79% | 0.794 | 79% | 0.79 | S | S | * | * | trans | 125.8 | 107.7 | 162.1 | 0 | 0 | 0 | 0 | 0 | 116.5 | ||||
| 117 | N | 32.5 | Very low | 34.7 | Very low | 163 Ų | 163 | 119.3 Ų | 119.3 | 87% | 0.872 | 78% | 0.782 | S | S | * | * | trans | -113.8 | 161.9 | 156.6 | -98.5 | -8.1 | 0 | 0 | 0 | 107 | ||||
| 118 | P | 53.8 | Low | 34.1 | Very low | 101 Ų | 101 | 120.7 Ų | 120.7 | 66% | 0.656 | 78% | 0.78 | S | S | * | * | cis | -138.1 | -157.2 | -17.7 | 34.5 | -11.4 | 0 | 0 | 0 | 112.9 | ||||
| 119 | D | 29.2 | Very low | 33.5 | Very low | 153 Ų | 153 | 122.6 Ų | 122.6 | 82% | 0.818 | 78% | 0.782 | S | S | * | * | trans | 92.4 | 149.1 | 151.8 | -63.9 | -22.3 | 0 | 0 | 0 | 123.3 | ||||
| 120 | A | 32.6 | Very low | 33.2 | Very low | 87 Ų | 87 | 124.9 Ų | 124.9 | 72% | 0.719 | 78% | 0.78 | S | S | * | * | trans | 82.1 | 86.2 | 151.4 | 0 | 0 | 0 | 0 | 0 | 123.5 | ||||
| 121 | S | 31.3 | Very low | 33.4 | Very low | 104 Ų | 104 | 124 Ų | 124 | 73% | 0.727 | 78% | 0.776 | S | S | * | * | 68.2 | 134.7 | 112 | 71.3 | 0 | 0 | 0 | 0 | 125.7 | |||||
| 122 | V | 33.6 | Very low | 33.2 | Very low | 149 Ų | 149 | 124.6 Ų | 124.6 | 90% | 0.903 | 78% | 0.775 | S | S | * | * | trans | 82.3 | 143.4 | 138.9 | 168.2 | 0 | 0 | 0 | 0 | 121.2 | ||||
| 123 | G | 27.2 | Very low | 32.3 | Very low | 67 Ų | 67 | 126 Ų | 126 | 69% | 0.691 | 78% | 0.775 | S | S | * | * | trans | 94 | 109.8 | 170.2 | 0 | 0 | 0 | 0 | 0 | 113.9 | ||||
| 124 | L | 32.9 | Very low | 32.4 | Very low | 166 Ų | 166 | 124.1 Ų | 124.1 | 87% | 0.869 | 77% | 0.767 | S | S | * | * | cis | 82.3 | 126.3 | 17.3 | -120.7 | 170.8 | 0 | 0 | 0 | 115.8 | ||||
| 125 | E | 29.7 | Very low | 32.1 | Very low | 174 Ų | 174 | 121.6 Ų | 121.6 | 81% | 0.813 | 77% | 0.767 | S | S | * | * | trans | 78.1 | 151.8 | 171 | -53.7 | -154.5 | 109.4 | 0 | 0 | 119.4 | ||||
| 126 | S | 28.7 | Very low | 32 | Very low | 88 Ų | 88 | 123.6 Ų | 123.6 | 62% | 0.615 | 76% | 0.763 | S | S | * | * | cis | -174.2 | 174.3 | -29.9 | -91.1 | 0 | 0 | 0 | 0 | 109.9 | ||||
| 127 | T | 29.5 | Very low | 32 | Very low | 111 Ų | 111 | 128.7 Ų | 128.7 | 68% | 0.681 | 77% | 0.766 | S | S | * | * | trans | 81.9 | 98.5 | 149.2 | -52.8 | 0 | 0 | 0 | 0 | 120.4 | ||||
| 128 | E | 29 | Very low | 31.5 | Very low | 159 Ų | 159 | 131.7 Ų | 131.7 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | 35.3 | 126.4 | 122.3 | -48.6 | 168.1 | 148.5 | 0 | 0 | 120.6 | |||||
| 129 | N | 29.1 | Very low | 31 | Very low | 144 Ų | 144 | 131.3 Ų | 131.3 | 77% | 0.77 | 76% | 0.762 | S | S | * | * | 176.4 | 136.9 | 90.5 | -92.1 | -70.6 | 0 | 0 | 0 | 113.5 | |||||
| 130 | E | 29.1 | Very low | 30.9 | Very low | 166 Ų | 166 | 130.1 Ų | 130.1 | 78% | 0.776 | 76% | 0.76 | S | S | * | * | trans | -79.3 | 170.8 | 156.6 | -83 | -73.3 | 131.7 | 0 | 0 | 109.2 | ||||
| 131 | P | 41.5 | Very low | 30.7 | Very low | 114 Ų | 114 | 135.3 Ų | 135.3 | 74% | 0.74 | 76% | 0.761 | S | S | * | * | cis | -148.8 | -176 | 26.5 | 44.7 | -24.5 | 0 | 0 | 0 | 118.9 | ||||
| 132 | A | 29.1 | Very low | 30.4 | Very low | 84 Ų | 84 | 135.1 Ų | 135.1 | 69% | 0.694 | 75% | 0.752 | S | S | * | * | trans | 89.1 | 107.6 | 136.9 | 0 | 0 | 0 | 0 | 0 | 122.6 | ||||
| 133 | D | 30.5 | Very low | 30.2 | Very low | 162 Ų | 162 | 134.7 Ų | 134.7 | 87% | 0.866 | 74% | 0.74 | S | S | * | * | 90.9 | 143.5 | 120.8 | -154.5 | 31 | 0 | 0 | 0 | 123.2 | |||||
| 134 | A | 35.3 | Very low | 30.1 | Very low | 86 Ų | 86 | 139 Ų | 139 | 71% | 0.711 | 74% | 0.743 | S | S | * | * | trans | 54.5 | 117.5 | 159.2 | 0 | 0 | 0 | 0 | 0 | 123.2 | ||||
| 135 | G | 26.9 | Very low | 29.8 | Very low | 77 Ų | 77 | 137.3 Ų | 137.3 | 79% | 0.794 | 74% | 0.738 | S | S | * | * | trans | 142.3 | 152.8 | 147.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | ||||
| 136 | E | 32.1 | Very low | 29.5 | Very low | 164 Ų | 164 | 135.4 Ų | 135.4 | 77% | 0.766 | 73% | 0.729 | S | S | * | * | cis | -165.4 | 165.4 | -27.6 | -146.9 | -178.5 | -177.9 | 0 | 0 | 109.9 | ||||
| 137 | H | 28.3 | Very low | 29.3 | Very low | 184 Ų | 184 | 137.4 Ų | 137.4 | 85% | 0.852 | 74% | 0.742 | S | S | * | * | trans | 78.5 | 175.9 | 152.2 | -81.6 | -42.3 | 0 | 0 | 0 | 123.7 | ||||
| 138 | R | 22.7 | Very low | 29.2 | Very low | 225 Ų | 225 | 138.9 Ų | 138.9 | 85% | 0.849 | 74% | 0.741 | S | S | * | * | trans | -145.7 | -161.4 | -151.9 | -141.7 | -173.2 | 170.6 | -159.7 | 2 | 105.2 | ||||
| 139 | P | 43.7 | Very low | 29 | Very low | 93 Ų | 93 | 137.2 Ų | 137.2 | 60% | 0.604 | 75% | 0.747 | S | S | * | * | cis | -134.7 | -161.8 | -22.6 | 41 | -21.9 | 0 | 0 | 0 | 113.3 | ||||
| 140 | V | 26.5 | Very low | 28.8 | Very low | 129 Ų | 129 | 136.7 Ų | 136.7 | 78% | 0.782 | 74% | 0.744 | S | S | * | * | trans | 71.7 | 149.4 | 150.5 | 155.6 | 0 | 0 | 0 | 0 | 117.3 | ||||
| 141 | R | 27.6 | Very low | 28.8 | Very low | 195 Ų | 195 | 134.4 Ų | 134.4 | 74% | 0.736 | 75% | 0.746 | S | S | * | * | cis | -175.2 | 178.9 | -27.2 | -160.1 | -179 | 116.7 | 135.7 | 13.4 | 107.3 | ||||
| 142 | D | 25.8 | Very low | 28 | Very low | 100 Ų | 100 | 137.1 Ų | 137.1 | 54% | 0.535 | 75% | 0.749 | S | S | . | * | trans | 74.5 | 152 | 154.3 | -67.8 | -41.5 | 0 | 0 | 0 | 117.4 | ||||
| 143 | Q | 29 | Very low | 27.9 | Very low | 141 Ų | 141 | 141.2 Ų | 141.2 | 66% | 0.659 | 76% | 0.758 | S | S | * | * | cis | -171.6 | 179.7 | -10.1 | 163.3 | 167.3 | -11 | 0 | 0 | 110.4 | ||||
| 144 | E | 25.6 | Very low | 27.6 | Very low | 158 Ų | 158 | 136.7 Ų | 136.7 | 74% | 0.738 | 75% | 0.75 | S | S | * | * | trans | 79.2 | 154.8 | 154.5 | -104.4 | 162.4 | -124.7 | 0 | 0 | 119.4 | ||||
| 145 | V | 26.6 | Very low | 27.2 | Very low | 129 Ų | 129 | 142.1 Ų | 142.1 | 78% | 0.782 | 76% | 0.761 | S | S | * | * | cis | -136.5 | 165.3 | -6.5 | -154.1 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 146 | H | 23.6 | Very low | 27.1 | Very low | 135 Ų | 135 | 141.7 Ų | 141.7 | 63% | 0.625 | 76% | 0.756 | S | S | * | * | trans | -103.4 | 147.4 | 167.5 | 171.1 | 75.2 | 0 | 0 | 0 | 111.5 | Q148 | H146-Q148 VanDerWaalsContact NE2-CG 3.26Å; H146-Q148 WeakPolarHBondContact NE2-CG 3.49Å; H146-Q148 PolarHBondContact NE2-NE2 3.06Å | ||
| 147 | C | 23.4 | Very low | 27.8 | Very low | 130 Ų | 130 | 139.5 Ų | 139.5 | 88% | 0.878 | 76% | 0.756 | S | S | * | * | trans | -155.9 | 163.2 | 160.4 | -126.8 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 148 | Q | 27.3 | Very low | 27.7 | Very low | 142 Ų | 142 | 136.8 Ų | 136.8 | 66% | 0.664 | 76% | 0.757 | S | S | * | * | trans | -125 | 161.9 | -162.3 | -57.4 | 171.3 | 2.3 | 0 | 0 | 113.5 | H146 | H146-Q148 VanDerWaalsContact NE2-CG 3.26Å; H146-Q148 WeakPolarHBondContact NE2-CG 3.49Å; H146-Q148 PolarHBondContact NE2-NE2 3.06Å | ||
| 149 | S | 24.6 | Very low | 27.9 | Very low | 124 Ų | 124 | 129.9 Ų | 129.9 | 87% | 0.867 | 76% | 0.755 | S | S | * | * | trans | -153.1 | 147.7 | 149.3 | 57.1 | 0 | 0 | 0 | 0 | 111.5 | ||||
| 150 | N | 26 | Very low | 27.2 | Very low | 133 Ų | 133 | 130.5 Ų | 130.5 | 71% | 0.711 | 77% | 0.768 | S | S | * | * | trans | -116.5 | 157.2 | -170.7 | -61.6 | -30.6 | 0 | 0 | 0 | 112.6 | ||||
| 151 | S | 28.1 | Very low | 27.1 | Very low | 117 Ų | 117 | 128.3 Ų | 128.3 | 82% | 0.818 | 77% | 0.772 | S | S | * | * | trans | 163.4 | 122.2 | 140.7 | -71.5 | 0 | 0 | 0 | 0 | 107.7 | ||||
| 152 | E | 25.8 | Very low | 27.1 | Very low | 171 Ų | 171 | 123.4 Ų | 123.4 | 80% | 0.799 | 77% | 0.773 | S | S | * | * | cis | 91.9 | 140.1 | 36.1 | -68.5 | -146.4 | 101.1 | 0 | 0 | 116.3 | ||||
| 153 | L | 26.7 | Very low | 26.9 | Very low | 170 Ų | 170 | 127.8 Ų | 127.8 | 89% | 0.89 | 79% | 0.788 | S | S | * | * | trans | 65.7 | 140.9 | -179 | -59.2 | 106.8 | 0 | 0 | 0 | 118 | ||||
| 154 | G | 24.4 | Very low | 26.9 | Very low | 67 Ų | 67 | 127.4 Ų | 127.4 | 69% | 0.691 | 79% | 0.79 | S | S | * | * | cis | 165.8 | 152.4 | -13 | 0 | 0 | 0 | 0 | 0 | 116.2 | ||||
| 155 | Q | 27.3 | Very low | 27 | Very low | 201 Ų | 201 | 127.4 Ų | 127.4 | 94% | 0.939 | 80% | 0.795 | S | S | * | * | trans | 74.3 | 150.3 | 159.1 | -57.4 | 179.8 | -4.4 | 0 | 0 | 121 | ||||
| 156 | G | 23.2 | Very low | 27.2 | Very low | 67 Ų | 67 | 130.1 Ų | 130.1 | 69% | 0.691 | 80% | 0.799 | S | S | * | * | trans | -117.9 | -137.5 | 169 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 157 | P | 46.8 | Very low | 27.5 | Very low | 118 Ų | 118 | 132 Ų | 132 | 77% | 0.766 | 81% | 0.813 | S | S | * | * | cis | -145.9 | -167.2 | -5 | 43.8 | -23.5 | 0 | 0 | 0 | 116.2 | ||||
| 158 | C | 26.6 | Very low | 27.8 | Very low | 128 Ų | 128 | 132.6 Ų | 132.6 | 87% | 0.865 | 80% | 0.803 | S | S | * | * | trans | 78.5 | 126.2 | 147.2 | -71.3 | 0 | 0 | 0 | 0 | 125.6 | ||||
| 159 | G | 28 | Very low | 27.9 | Very low | 80 Ų | 80 | 132.2 Ų | 132.2 | 83% | 0.825 | 81% | 0.81 | S | S | * | * | trans | 104.6 | 160.8 | 137.2 | 0 | 0 | 0 | 0 | 0 | 119.4 | ||||
| 160 | A | 27.8 | Very low | 28 | Very low | 106 Ų | 106 | 133.4 Ų | 133.4 | 88% | 0.876 | 80% | 0.8 | S | S | * | * | cis | -172.3 | 138.7 | -27.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 161 | G | 25.9 | Very low | 28.1 | Very low | 83 Ų | 83 | 133 Ų | 133 | 86% | 0.856 | 80% | 0.797 | S | S | * | * | trans | 76.6 | 173.6 | 164.3 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 162 | A | 26.6 | Very low | 28.1 | Very low | 92 Ų | 92 | 134.7 Ų | 134.7 | 76% | 0.76 | 79% | 0.789 | S | S | * | * | cis | -169.7 | 139.3 | -19.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | ||||
| 163 | F | 22.6 | Very low | 28.5 | Very low | 191 Ų | 191 | 132.3 Ų | 132.3 | 84% | 0.838 | 78% | 0.778 | S | S | * | * | trans | 64.1 | 125.4 | 148 | -83.6 | -107.3 | 0 | 0 | 0 | 125.5 | ||||
| 164 | L | 28 | Very low | 28.7 | Very low | 134 Ų | 134 | 132.2 Ų | 132.2 | 70% | 0.702 | 77% | 0.773 | S | S | * | * | trans | 31 | 135.6 | 138.7 | -56.3 | -177.5 | 0 | 0 | 0 | 123.8 | ||||
| 165 | N | 27.1 | Very low | 29 | Very low | 158 Ų | 158 | 138.1 Ų | 138.1 | 85% | 0.845 | 78% | 0.783 | S | S | * | * | -166.7 | 163.7 | 99.1 | -95.1 | -11.2 | 0 | 0 | 0 | 112.9 | |||||
| 166 | E | 32.2 | Very low | 29.2 | Very low | 185 Ų | 185 | 136.6 Ų | 136.6 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -107.3 | 162.3 | 177.2 | -59.4 | 168.6 | 117.3 | 0 | 0 | 110.5 | ||||
| 167 | D | 28.8 | Very low | 29.4 | Very low | 174 Ų | 174 | 137.3 Ų | 137.3 | 93% | 0.93 | 78% | 0.775 | S | S | * | * | trans | -166.6 | 166.4 | 139.6 | -118.4 | -38 | 0 | 0 | 0 | 113.4 | ||||
| 168 | E | 30.4 | Very low | 28.7 | Very low | 143 Ų | 143 | 137.3 Ų | 137.3 | 67% | 0.668 | 77% | 0.773 | S | S | * | * | trans | -112.4 | -155.6 | -159.2 | -148.9 | -156.6 | 134.9 | 0 | 0 | 115.5 | K170 | E168-K170 VanDerWaalsContact OE1-CE 3.31Å; E168-K170 WeakPolarHBondContact OE1-CE 3.21Å; E168-K170 IonicContact OE1-NZ 2.75Å | ||
| 169 | V | 28.6 | Very low | 29.5 | Very low | 135 Ų | 135 | 137.2 Ų | 137.2 | 82% | 0.818 | 77% | 0.77 | S | S | * | * | trans | 91.7 | 146.7 | 168.8 | -176.6 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 170 | K | 27.7 | Very low | 29.5 | Very low | 148 Ų | 148 | 140.4 Ų | 140.4 | 64% | 0.643 | 77% | 0.768 | S | S | * | * | -178.1 | 132.6 | -59.2 | -108 | -171.1 | 170.4 | 171.9 | 0 | 111.9 | E168 | E168-K170 VanDerWaalsContact OE1-CE 3.31Å; E168-K170 WeakPolarHBondContact OE1-CE 3.21Å; E168-K170 IonicContact OE1-NZ 2.75Å | |||
| 171 | I | 28.6 | Very low | 29.6 | Very low | 126 Ų | 126 | 141.8 Ų | 141.8 | 65% | 0.646 | 77% | 0.766 | S | S | * | * | trans | 58.6 | 121.3 | 146.1 | -48.9 | 167.7 | 0 | 0 | 0 | 121.7 | E173 | I171-E173 WeakPolarHBondContact CG2-OE1 3.47Š| ||
| 172 | K | 26.6 | Very low | 29.7 | Very low | 151 Ų | 151 | 145.3 Ų | 145.3 | 66% | 0.657 | 76% | 0.759 | S | S | * | * | 176.1 | 175.4 | 128.9 | -99.2 | -125.6 | 152.1 | -126 | 0 | 110.1 | E174 | K172-E174 IonicContact NZ-OE1 2.95Š| |||
| 173 | E | 34.1 | Very low | 29.7 | Very low | 122 Ų | 122 | 147.4 Ų | 147.4 | 57% | 0.57 | 76% | 0.757 | S | S | * | * | -177.5 | 168.9 | -63.2 | -102 | 166.5 | -112.3 | 0 | 0 | 109.2 | I171 | I171-E173 WeakPolarHBondContact CG2-OE1 3.47Š| |||
| 174 | E | 30.7 | Very low | 29.9 | Very low | 167 Ų | 167 | 143.1 Ų | 143.1 | 78% | 0.78 | 76% | 0.757 | S | S | * | * | trans | 69.9 | 133.3 | 175.4 | -59.9 | 165.4 | -158.7 | 0 | 0 | 115.4 | K172 | K172-E174 IonicContact NZ-OE1 2.95Š| ||
| 175 | E | 31.9 | Very low | 30 | Very low | 191 Ų | 191 | 144.6 Ų | 144.6 | 89% | 0.893 | 76% | 0.76 | S | S | * | * | cis | 88.2 | 137.2 | 12 | -153.3 | 166.5 | -87.7 | 0 | 0 | 115.8 | ||||
| 176 | E | 30.2 | Very low | 29.9 | Very low | 169 Ų | 169 | 143.1 Ų | 143.1 | 79% | 0.79 | 76% | 0.762 | S | S | * | * | cis | -106.4 | -129.1 | 2.2 | -154.9 | -147.2 | 125.1 | 0 | 0 | 111.3 | ||||
| 177 | A | 27.6 | Very low | 29.7 | Very low | 82 Ų | 82 | 139.4 Ų | 139.4 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | cis | -155.2 | 159 | -0.9 | 0 | 0 | 0 | 0 | 0 | 114 | ||||
| 178 | V | 33.6 | Very low | 29.5 | Very low | 119 Ų | 119 | 137.8 Ų | 137.8 | 72% | 0.721 | 75% | 0.753 | S | S | * | * | trans | -139.2 | 150.5 | 173 | -175.4 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 179 | P | 41.7 | Very low | 29.4 | Very low | 126 Ų | 126 | 137.6 Ų | 137.6 | 82% | 0.818 | 76% | 0.756 | S | S | * | * | trans | -141 | 161.9 | 134.3 | 34.1 | -18.4 | 0 | 0 | 0 | 116.7 | ||||
| 180 | L | 28.3 | Very low | 29.6 | Very low | 146 Ų | 146 | 138.2 Ų | 138.2 | 76% | 0.764 | 75% | 0.75 | S | S | * | * | trans | -71.4 | 164.7 | -178.1 | -107 | 66.9 | 0 | 0 | 0 | 115.7 | ||||
| 181 | T | 30 | Very low | 29.5 | Very low | 136 Ų | 136 | 138.8 Ų | 138.8 | 83% | 0.834 | 76% | 0.755 | S | S | * | * | -169.5 | 161.3 | 119.6 | 18.4 | 0 | 0 | 0 | 0 | 115.2 | |||||
| 182 | H | 28.2 | Very low | 29.4 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 72% | 0.722 | 76% | 0.763 | S | S | * | * | trans | -58.3 | 151.4 | -171.2 | -59.8 | -89.5 | 0 | 0 | 0 | 115.8 | ||||
| 183 | L | 25.8 | Very low | 29.4 | Very low | 136 Ų | 136 | 139.2 Ų | 139.2 | 71% | 0.712 | 77% | 0.769 | S | S | * | * | cis | 82.4 | 104.5 | 38.6 | -155.3 | -172.5 | 0 | 0 | 0 | 114 | ||||
| 184 | A | 28.1 | Very low | 29 | Very low | 101 Ų | 101 | 140 Ų | 140 | 84% | 0.835 | 78% | 0.776 | S | S | * | * | trans | -159.7 | 159.4 | 159.9 | 0 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 185 | H | 29.4 | Very low | 29 | Very low | 165 Ų | 165 | 140.5 Ų | 140.5 | 76% | 0.764 | 78% | 0.776 | S | S | * | * | trans | -126.6 | 158.1 | -176.3 | -58.7 | -111.3 | 0 | 0 | 0 | 111.8 | ||||
| 186 | S | 26.4 | Very low | 28.8 | Very low | 127 Ų | 127 | 139.3 Ų | 139.3 | 89% | 0.888 | 77% | 0.77 | S | S | * | * | 169.5 | 163.5 | 116.6 | -77.7 | 0 | 0 | 0 | 0 | 114.6 | |||||
| 187 | S | 26.1 | Very low | 28.6 | Very low | 108 Ų | 108 | 134.4 Ų | 134.4 | 76% | 0.755 | 77% | 0.765 | S | S | * | * | trans | -118.7 | 164 | 175.3 | 177.1 | 0 | 0 | 0 | 0 | 110.2 | ||||
| 188 | T | 24.8 | Very low | 28.7 | Very low | 139 Ų | 139 | 137 Ų | 137 | 85% | 0.853 | 77% | 0.766 | S | S | * | * | trans | -160.5 | 153.1 | 156.2 | -73 | 0 | 0 | 0 | 0 | 109.7 | ||||
| 189 | L | 28 | Very low | 28.4 | Very low | 140 Ų | 140 | 137 Ų | 137 | 73% | 0.733 | 77% | 0.766 | S | S | * | * | trans | -133.8 | -178.1 | -175.6 | -162.5 | 135.3 | 0 | 0 | 0 | 109 | ||||
| 190 | E | 33.5 | Very low | 27.7 | Very low | 148 Ų | 148 | 137.1 Ų | 137.1 | 69% | 0.692 | 77% | 0.765 | S | S | * | * | trans | 112 | 144.1 | 158 | -60.1 | -76.8 | 121.5 | 0 | 0 | 119.9 | ||||
| 191 | Q | 25 | Very low | 27.7 | Very low | 159 Ų | 159 | 137 Ų | 137 | 74% | 0.743 | 76% | 0.764 | S | S | * | * | trans | 79 | 82 | 148 | -76.3 | 171.2 | 10.4 | 0 | 0 | 124.4 | ||||
| 192 | E | 27.1 | Very low | 27.8 | Very low | 176 Ų | 176 | 136.7 Ų | 136.7 | 82% | 0.822 | 77% | 0.765 | S | S | * | * | 48.7 | 144.2 | 103.6 | -60.5 | -173 | 160.2 | 0 | 0 | 125.3 | |||||
| 193 | S | 26.5 | Very low | 27.7 | Very low | 111 Ų | 111 | 135.7 Ų | 135.7 | 78% | 0.776 | 77% | 0.765 | S | S | * | * | trans | 78.8 | 153.5 | 149.9 | 85.8 | 0 | 0 | 0 | 0 | 119 | ||||
| 194 | L | 26.7 | Very low | 28.7 | Very low | 137 Ų | 137 | 133.8 Ų | 133.8 | 72% | 0.717 | 76% | 0.76 | S | S | * | * | cis | -166.3 | 167.2 | -19.9 | -119.2 | 173.4 | 0 | 0 | 0 | 110.8 | ||||
| 195 | F | 29.7 | Very low | 28.5 | Very low | 178 Ų | 178 | 136 Ų | 136 | 78% | 0.781 | 76% | 0.763 | S | S | * | * | trans | 66.9 | 160.2 | 168.6 | -64.4 | -66.6 | 0 | 0 | 0 | 117.7 | ||||
| 196 | E | 28.3 | Very low | 28.5 | Very low | 167 Ų | 167 | 134.6 Ų | 134.6 | 78% | 0.78 | 76% | 0.761 | S | S | * | * | cis | -154.3 | 167.2 | 6.2 | -142.7 | 174.7 | 145.2 | 0 | 0 | 113 | I198 | E196-I198 HydrophobicContact CG-CD1 4.44Š| ||
| 197 | G | 26.8 | Very low | 28.6 | Very low | 65 Ų | 65 | 136.2 Ų | 136.2 | 67% | 0.67 | 75% | 0.754 | S | S | * | * | trans | 116.5 | 101.6 | 164.6 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 198 | I | 29.4 | Very low | 28.5 | Very low | 136 Ų | 136 | 139.3 Ų | 139.3 | 70% | 0.697 | 76% | 0.756 | S | S | * | * | 71.1 | 115 | 50.8 | -54 | 169.5 | 0 | 0 | 0 | 111.3 | E196 | E196-I198 HydrophobicContact CG-CD1 4.44Š| |||
| 199 | T | 26.3 | Very low | 29.2 | Very low | 120 Ų | 120 | 138.8 Ų | 138.8 | 74% | 0.736 | 75% | 0.753 | S | S | * | * | cis | -149.6 | -166.6 | -1.9 | 22.1 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 200 | T | 27.7 | Very low | 29.4 | Very low | 128 Ų | 128 | 137.8 Ų | 137.8 | 79% | 0.785 | 75% | 0.754 | S | S | * | * | cis | -170 | 165.9 | 31.2 | -29.7 | 0 | 0 | 0 | 0 | 111.1 | ||||
| 201 | L | 27.9 | Very low | 29.7 | Very low | 144 Ų | 144 | 136.5 Ų | 136.5 | 75% | 0.754 | 76% | 0.759 | S | S | * | * | trans | -102.9 | 165.6 | 169.3 | -142.2 | 88.3 | 0 | 0 | 0 | 111.7 | D203 | L201-D203 HydrophobicContact CD2-CB 4.12Š| ||
| 202 | P | 32.7 | Very low | 30.4 | Very low | 130 Ų | 130 | 133.9 Ų | 133.9 | 84% | 0.844 | 76% | 0.764 | S | S | * | * | -149.4 | 171.6 | 101.4 | 40.4 | -24.2 | 0 | 0 | 0 | 116.7 | |||||
| 203 | D | 24.6 | Very low | 30.8 | Very low | 134 Ų | 134 | 129.8 Ų | 129.8 | 72% | 0.717 | 76% | 0.761 | S | S | * | * | trans | -159.3 | 174 | -175.8 | -174.6 | 49.8 | 0 | 0 | 0 | 107.8 | L201 | L201-D203 HydrophobicContact CD2-CB 4.12Š| ||
| 204 | P | 46.8 | Very low | 31.3 | Very low | 96 Ų | 96 | 132.2 Ų | 132.2 | 62% | 0.623 | 77% | 0.765 | S | S | * | * | cis | -120.1 | 177.3 | -25.2 | 21.1 | 0.8 | 0 | 0 | 0 | 113.9 | ||||
| 205 | V | 25.3 | Very low | 32.2 | Very low | 148 Ų | 148 | 132.2 Ų | 132.2 | 90% | 0.897 | 76% | 0.764 | S | S | * | * | trans | -141.1 | 135.1 | 153.6 | -176.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 206 | L | 28.1 | Very low | 32.6 | Very low | 136 Ų | 136 | 128.1 Ų | 128.1 | 71% | 0.712 | 75% | 0.75 | S | S | * | * | trans | -92.2 | 141.1 | 177.7 | -70.7 | 157.1 | 0 | 0 | 0 | 113 | ||||
| 207 | H | 28.4 | Very low | 33.7 | Very low | 160 Ų | 160 | 129.2 Ų | 129.2 | 74% | 0.741 | 75% | 0.748 | S | S | * | * | 155.3 | 149.6 | 109.5 | -91.6 | -67.4 | 0 | 0 | 0 | 117 | |||||
| 208 | H | 25.4 | Very low | 34.9 | Very low | 173 Ų | 173 | 131.8 Ų | 131.8 | 80% | 0.801 | 75% | 0.746 | S | S | * | * | trans | 83.3 | 131.2 | 147.3 | -95.2 | -71.1 | 0 | 0 | 0 | 122.4 | ||||
| 209 | V | 38.3 | Very low | 35.6 | Very low | 129 Ų | 129 | 131 Ų | 131 | 78% | 0.782 | 74% | 0.743 | S | S | * | * | trans | -110.3 | 137.1 | 173.8 | 173.7 | 0 | 0 | 0 | 0 | 110.5 | ||||
| 210 | P | 33.7 | Very low | 36.4 | Very low | 118 Ų | 118 | 130.9 Ų | 130.9 | 77% | 0.766 | 74% | 0.737 | S | S | * | * | trans | -123.2 | 168.7 | 148.7 | 21.6 | -1.4 | 0 | 0 | 0 | 112.3 | ||||
| 211 | P | 39.6 | Very low | 37.2 | Very low | 121 Ų | 121 | 130.6 Ų | 130.6 | 79% | 0.786 | 73% | 0.731 | S | S | * | * | trans | -108.3 | 153 | -156.9 | 39.2 | -34.9 | 0 | 0 | 0 | 117.8 | ||||
| 212 | A | 39 | Very low | 38 | Very low | 104 Ų | 104 | 128.7 Ų | 128.7 | 86% | 0.86 | 73% | 0.729 | S | S | * | * | trans | 52.2 | 94 | 140.9 | 0 | 0 | 0 | 0 | 0 | 120.9 | ||||
| 213 | A | 36.5 | Very low | 38.4 | Very low | 91 Ų | 91 | 127 Ų | 127 | 75% | 0.752 | 72% | 0.716 | S | S | * | * | trans | -156.1 | 155.8 | 138.1 | 0 | 0 | 0 | 0 | 0 | 110.3 | ||||
| 214 | D | 35.3 | Very low | 39.3 | Very low | 161 Ų | 161 | 124.5 Ų | 124.5 | 86% | 0.861 | 71% | 0.714 | S | S | * | * | trans | 38.7 | 103.2 | 162.7 | -56.8 | -18.9 | 0 | 0 | 0 | 119.6 | ||||
| 215 | I | 46 | Very low | 39.3 | Very low | 138 Ų | 138 | 126.8 Ų | 126.8 | 71% | 0.708 | 72% | 0.721 | S | S | * | * | trans | -83.4 | 113.1 | 163.5 | -63 | 174.3 | 0 | 0 | 0 | 108.8 | W217 | I215-W217 PolarHBondContact O-N 3.17Š| ||
| 216 | D | 38 | Very low | 40.2 | Very low | 91 Ų | 91 | 123.8 Ų | 123.8 | 49% | 0.487 | 70% | 0.699 | S | S | . | * | trans | -79.2 | 109.3 | 174.6 | -176.2 | -0.1 | 0 | 0 | 0 | 111 | N218 N219 | D216-N218 PolarHBondContact O-N 2.88Å; D216-N218 VanDerWaalsContact O-N 3.15Å; D216-N218 PolarHBondContact OD1-N 3.33Å; D216-N218 VanDerWaalsContact OD1-N 3.15Å; D216-N218 PolarHBondContact OD1-ND2 3.44Å; D216-N219 PolarHBondContact O-N 2.92Å | ||
| 217 | W | 51.1 | Low | 41.2 | Very low | 191 Ų | 191 | 122.9 Ų | 122.9 | 72% | 0.723 | 70% | 0.696 | S | S | * | * | G | 310 helix | trans | -63.8 | -16.8 | -176.2 | -75.1 | 91.5 | 0 | 0 | 0 | 114.8 | I215 N219 L220 | I215-W217 PolarHBondContact O-N 3.17Å; W217-N219 VanDerWaalsContact C-N 3.28Å; W217-N219 PolarHBondContact O-N 3.47Å; W217-L220 HydrophobicContact CE3-CD1 4.29Å; W217-L220 HydrophobicContact CZ3-CD1 4.23Å; W217-L220 PolarHBondContact O-N 2.95Å |
| 218 | N | 53.7 | Low | 42.3 | Very low | 118 Ų | 118 | 122.1 Ų | 122.1 | 63% | 0.631 | 70% | 0.697 | S | S | * | * | G | 310 helix | trans | -66.1 | -30.1 | -179.7 | -63.2 | -66.6 | 0 | 0 | 0 | 112.6 | D216 L220 | D216-N218 PolarHBondContact O-N 2.88Å; D216-N218 VanDerWaalsContact O-N 3.15Å; D216-N218 PolarHBondContact OD1-N 3.33Å; D216-N218 VanDerWaalsContact OD1-N 3.15Å; D216-N218 PolarHBondContact OD1-ND2 3.44Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 3.16Å |
| 219 | N | 43.8 | Very low | 43.3 | Very low | 121 Ų | 121 | 119 Ų | 119 | 65% | 0.647 | 69% | 0.685 | S | S | * | * | G | 310 helix | trans | -78.2 | -10.2 | -177.7 | -74.9 | -73.2 | 0 | 0 | 0 | 114.5 | D216 W217 | D216-N219 PolarHBondContact O-N 2.92Å; W217-N219 VanDerWaalsContact C-N 3.28Å; W217-N219 PolarHBondContact O-N 3.47Å |
| 220 | L | 41.7 | Very low | 43.8 | Very low | 116 Ų | 116 | 117.7 Ų | 117.7 | 61% | 0.607 | 67% | 0.674 | S | S | * | * | G | 310 helix | trans | -89.4 | -3.5 | 177.7 | -87.7 | 168.8 | 0 | 0 | 0 | 114 | W217 N218 | W217-L220 HydrophobicContact CE3-CD1 4.29Å; W217-L220 HydrophobicContact CZ3-CD1 4.23Å; W217-L220 PolarHBondContact O-N 2.95Å; N218-L220 VanDerWaalsContact C-N 3.33Å; N218-L220 PolarHBondContact O-N 3.16Å |
| 221 | L | 46.2 | Very low | 44.6 | Very low | 123 Ų | 123 | 115.8 Ų | 115.8 | 64% | 0.644 | 66% | 0.663 | S | S | * | * | S | Bend | trans | -96.1 | -16.6 | 175.7 | -67.3 | 174 | 0 | 0 | 0 | 113.1 | V223 L226 | L221-V223 PolarHBondContact O-N 2.94Å; L221-L226 WeakPolarHBondContact O-CD1 3.35Å |
| 222 | S | 42.8 | Very low | 44.9 | Very low | 104 Ų | 104 | 115.5 Ų | 115.5 | 73% | 0.727 | 66% | 0.655 | S | S | * | * | trans | -78.4 | 60 | 175.7 | -60.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 223 | V | 41.1 | Very low | 45.4 | Very low | 94 Ų | 94 | 113.7 Ų | 113.7 | 57% | 0.57 | 63% | 0.633 | S | S | * | * | trans | -91.8 | 126.7 | 158.1 | -179.9 | 0 | 0 | 0 | 0 | 107 | L221 D225 L226 | L221-V223 PolarHBondContact O-N 2.94Å; V223-D225 PolarHBondContact O-N 2.92Å; V223-L226 PolarHBondContact O-N 3.31Å; V223-L226 VanDerWaalsContact O-N 3.15Å | ||
| 224 | A | 45.2 | Very low | 46.1 | Very low | 81 Ų | 81 | 112.5 Ų | 112.5 | 67% | 0.669 | 62% | 0.617 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -62 | -8.8 | -165.6 | 0 | 0 | 0 | 0 | 0 | 116.2 | L226 | A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.42Å |
| 225 | D | 45.7 | Very low | 46.6 | Very low | 145 Ų | 145 | 110.7 Ų | 110.7 | 78% | 0.775 | 61% | 0.607 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -79.1 | -2.9 | 175.5 | -66.6 | -22.9 | 0 | 0 | 0 | 113.8 | V223 | V223-D225 PolarHBondContact O-N 2.92Š|
| 226 | L | 45.6 | Very low | 46.8 | Very low | 84 Ų | 84 | 112.1 Ų | 112.1 | 44% | 0.44 | 60% | 0.603 | S | S | . | * | S | Bend | trans | -92.9 | -29.4 | 179.6 | -89 | 167.3 | 0 | 0 | 0 | 114.7 | L221 V223 A224 D228 L229 D230 | L221-L226 WeakPolarHBondContact O-CD1 3.35Å; V223-L226 PolarHBondContact O-N 3.31Å; V223-L226 VanDerWaalsContact O-N 3.15Å; A224-L226 VanDerWaalsContact C-N 3.28Å; A224-L226 PolarHBondContact O-N 3.42Å; L226-D228 VanDerWaalsContact C-N 3.33Å; L226-D228 PolarHBondContact O-N 3.49Å; L226-L229 HydrophobicContact CD2-CD2 4.5Å; L226-L229 PolarHBondContact O-N 2.98Å; L226-D230 PolarHBondContact O-N 2.87Å |
| 227 | D | 48.3 | Very low | 47.2 | Very low | 118 Ų | 118 | 112.7 Ų | 112.7 | 63% | 0.631 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -63.4 | -37.8 | -176 | -69.4 | -42.5 | 0 | 0 | 0 | 112.2 | L229 D230 S231 | D227-L229 PolarHBondContact O-N 3.47Å; D227-D230 PolarHBondContact O-N 2.87Å; D227-S231 WeakPolarHBondContact O-CB 3.32Å; D227-S231 PolarHBondContact O-N 2.95Å |
| 228 | D | 51.4 | Low | 47.1 | Very low | 143 Ų | 143 | 106.5 Ų | 106.5 | 77% | 0.765 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -62.9 | -28.4 | 174.6 | -102.6 | 7.9 | 0 | 0 | 0 | 112.7 | L226 | L226-D228 VanDerWaalsContact C-N 3.33Å; L226-D228 PolarHBondContact O-N 3.49Å |
| 229 | L | 47.3 | Very low | 46.8 | Very low | 107 Ų | 107 | 107.3 Ų | 107.3 | 56% | 0.56 | 59% | 0.592 | S | S | * | * | H | α-helix | trans | -85.2 | -41.8 | 178.1 | -171.5 | 65.2 | 0 | 0 | 0 | 111.7 | L226 D227 L232 V233 | L226-L229 HydrophobicContact CD2-CD2 4.5Å; L226-L229 PolarHBondContact O-N 2.98Å; D227-L229 PolarHBondContact O-N 3.47Å; L229-L232 PolarHBondContact O-N 2.93Å; L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 2.93Å; L229-V233 VanDerWaalsContact O-N 3.08Å |
| 230 | D | 48.4 | Very low | 46.9 | Very low | 103 Ų | 103 | 106.4 Ų | 106.4 | 55% | 0.551 | 59% | 0.586 | S | S | * | * | H | α-helix | trans | -71 | -34.5 | -178.7 | -153 | 50.6 | 0 | 0 | 0 | 111.7 | L226 D227 V233 T234 | L226-D230 PolarHBondContact O-N 2.87Å; D227-D230 PolarHBondContact O-N 2.87Å; D230-V233 PolarHBondContact O-N 2.97Å; D230-T234 VanDerWaalsContact O-CB 3.24Å; D230-T234 WeakPolarHBondContact O-CB 3.39Å; D230-T234 PolarHBondContact O-N 3.09Å; D230-T234 PolarHBondContact O-OG1 2.84Å |
| 231 | S | 49.5 | Very low | 47.3 | Very low | 77 Ų | 77 | 105.7 Ų | 105.7 | 54% | 0.538 | 58% | 0.583 | S | S | . | * | H | α-helix | trans | -54.5 | -52.2 | 167.9 | 179.1 | 0 | 0 | 0 | 0 | 111.8 | D227 V233 T234 D235 | D227-S231 WeakPolarHBondContact O-CB 3.32Å; D227-S231 PolarHBondContact O-N 2.95Å; S231-V233 VanDerWaalsContact C-N 3.29Å; S231-V233 PolarHBondContact O-N 2.74Å; S231-T234 PolarHBondContact O-N 3.18Å; S231-D235 PolarHBondContact O-N 3.06Å |
| 232 | L | 46.3 | Very low | 47.6 | Very low | 115 Ų | 115 | 103.6 Ų | 103.6 | 60% | 0.602 | 58% | 0.579 | S | S | * | * | H | α-helix | trans | -72.5 | -21.4 | -175.3 | -154.9 | 143.6 | 0 | 0 | 0 | 113.2 | L229 | L229-L232 PolarHBondContact O-N 2.93Å |
| 233 | V | 49.4 | Very low | 47.8 | Very low | 66 Ų | 66 | 104 Ų | 104 | 40% | 0.4 | 57% | 0.573 | S | S | . | * | H | α-helix | trans | -80.6 | -41.6 | 169.3 | 170.3 | 0 | 0 | 0 | 0 | 111.4 | L229 D230 S231 R236 L237 | L229-V233 WeakPolarHBondContact O-CG2 3.39Å; L229-V233 PolarHBondContact O-N 2.93Å; L229-V233 VanDerWaalsContact O-N 3.08Å; D230-V233 PolarHBondContact O-N 2.97Å; S231-V233 VanDerWaalsContact C-N 3.29Å; S231-V233 PolarHBondContact O-N 2.74Å; V233-R236 PolarHBondContact O-N 3.42Å; V233-L237 HydrophobicContact CG1-CD1 3.84Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 WeakPolarHBondContact O-CG 3.5Å; V233-L237 PolarHBondContact O-N 2.7Å |
| 234 | T | 51.4 | Low | 48.3 | Very low | 67 Ų | 67 | 103.4 Ų | 103.4 | 41% | 0.411 | 57% | 0.565 | S | S | . | * | H | α-helix | trans | -67.7 | -40.5 | -177 | -62.3 | 0 | 0 | 0 | 0 | 112.4 | D230 S231 R236 L237 S238 | D230-T234 VanDerWaalsContact O-CB 3.24Å; D230-T234 WeakPolarHBondContact O-CB 3.39Å; D230-T234 PolarHBondContact O-N 3.09Å; D230-T234 PolarHBondContact O-OG1 2.84Å; S231-T234 PolarHBondContact O-N 3.18Å; T234-R236 PolarHBondContact O-N 3.14Å; T234-L237 PolarHBondContact O-N 3.11Å; T234-S238 WeakPolarHBondContact O-CB 3.33Å; T234-S238 PolarHBondContact O-N 3.47Å; T234-S238 PolarHBondContact O-OG 3.39Å |
| 235 | D | 46.5 | Very low | 48.4 | Very low | 123 Ų | 123 | 102.3 Ų | 102.3 | 66% | 0.658 | 55% | 0.553 | S | S | * | * | H | α-helix | trans | -59.3 | -46.9 | 174.1 | -117.3 | 14.3 | 0 | 0 | 0 | 110.8 | S231 L237 S238 E239 | S231-D235 PolarHBondContact O-N 3.06Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 2.81Å; D235-S238 PolarHBondContact O-N 3.22Å; D235-E239 PolarHBondContact O-N 3Å |
| 236 | R | 48.6 | Very low | 48.6 | Very low | 167 Ų | 167 | 98.8 Ų | 98.8 | 63% | 0.63 | 54% | 0.54 | S | S | * | . | H | α-helix | trans | -67.8 | -27.7 | 179.5 | -75.4 | -167.1 | 157.7 | -70 | -3.7 | 114.4 | V233 T234 | V233-R236 PolarHBondContact O-N 3.42Å; T234-R236 PolarHBondContact O-N 3.14Å |
| 237 | L | 46.1 | Very low | 48.7 | Very low | 103 Ų | 103 | 98.7 Ų | 98.7 | 54% | 0.539 | 55% | 0.551 | S | S | . | * | H | α-helix | trans | -77.1 | -37.4 | 172.5 | -72.7 | 171.3 | 0 | 0 | 0 | 111.5 | V233 T234 D235 L240 D241 | V233-L237 HydrophobicContact CG1-CD1 3.84Å; V233-L237 HydrophobicContact CG1-CG 4.43Å; V233-L237 WeakPolarHBondContact O-CG 3.5Å; V233-L237 PolarHBondContact O-N 2.7Å; T234-L237 PolarHBondContact O-N 3.11Å; D235-L237 VanDerWaalsContact C-N 3.33Å; D235-L237 PolarHBondContact O-N 2.81Å; L237-L240 PolarHBondContact O-N 3.4Å; L237-D241 WeakPolarHBondContact O-CB 3.27Å; L237-D241 PolarHBondContact O-N 2.94Å |
| 238 | S | 49.5 | Very low | 48.6 | Very low | 62 Ų | 62 | 99.4 Ų | 99.4 | 43% | 0.434 | 55% | 0.554 | S | S | . | * | H | α-helix | trans | -66.3 | -38.4 | 178.4 | -56.8 | 0 | 0 | 0 | 0 | 112.3 | T234 D235 S242 | T234-S238 WeakPolarHBondContact O-CB 3.33Å; T234-S238 PolarHBondContact O-N 3.47Å; T234-S238 PolarHBondContact O-OG 3.39Å; D235-S238 PolarHBondContact O-N 3.22Å; S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 3Å; S238-S242 PolarHBondContact O-OG 3.15Å |
| 239 | E | 47.6 | Very low | 48.3 | Very low | 135 Ų | 135 | 97.3 Ų | 97.3 | 63% | 0.631 | 55% | 0.55 | S | S | * | . | H | α-helix | trans | -62 | -42 | 173.4 | -160.4 | 174 | -137.6 | 0 | 0 | 111.2 | D235 D243 | D235-E239 PolarHBondContact O-N 3Å; E239-D243 PolarHBondContact O-N 2.69Å |
| 240 | L | 47.3 | Very low | 48.2 | Very low | 101 Ų | 101 | 99.9 Ų | 99.9 | 53% | 0.529 | 56% | 0.559 | S | S | . | * | H | α-helix | trans | -76.5 | -39.5 | -177.4 | -172.4 | 63.6 | 0 | 0 | 0 | 114 | L237 S242 D243 I244 | L237-L240 PolarHBondContact O-N 3.4Å; L240-S242 VanDerWaalsContact C-N 3.27Å; L240-S242 PolarHBondContact O-N 2.87Å; L240-D243 PolarHBondContact O-N 3.46Å; L240-I244 HydrophobicContact CD1-CD1 4.49Å; L240-I244 HydrophobicContact CG-CD1 4.04Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3.19Å; L240-I244 VanDerWaalsContact O-N 3.09Å |
| 241 | D | 48.5 | Very low | 47.8 | Very low | 102 Ų | 102 | 103.3 Ų | 103.3 | 55% | 0.545 | 58% | 0.577 | S | S | . | * | H | α-helix | trans | -69.7 | -27.6 | 179.2 | -160.1 | 51.7 | 0 | 0 | 0 | 112 | L237 S245 | L237-D241 WeakPolarHBondContact O-CB 3.27Å; L237-D241 PolarHBondContact O-N 2.94Å; D241-S245 VanDerWaalsContact O-CB 3.27Å; D241-S245 WeakPolarHBondContact O-CB 3.13Å; D241-S245 PolarHBondContact O-N 3.37Å; D241-S245 PolarHBondContact O-OG 3.21Å |
| 242 | S | 52 | Low | 47.9 | Very low | 78 Ų | 78 | 105.3 Ų | 105.3 | 55% | 0.545 | 59% | 0.586 | S | S | . | * | H | α-helix | trans | -64.4 | -48.4 | 171.6 | -61.9 | 0 | 0 | 0 | 0 | 112 | S238 L240 S245 S246 | S238-S242 WeakPolarHBondContact O-CB 3.46Å; S238-S242 PolarHBondContact O-N 3Å; S238-S242 PolarHBondContact O-OG 3.15Å; L240-S242 VanDerWaalsContact C-N 3.27Å; L240-S242 PolarHBondContact O-N 2.87Å; S242-S245 PolarHBondContact O-N 2.98Å; S242-S246 PolarHBondContact O-N 3.12Å |
| 243 | D | 48.8 | Very low | 47.8 | Very low | 114 Ų | 114 | 102.7 Ų | 102.7 | 61% | 0.61 | 58% | 0.578 | S | S | * | * | H | α-helix | trans | -62.6 | -45.6 | 176.9 | -99.6 | -1.9 | 0 | 0 | 0 | 111.4 | E239 L240 S245 S246 A247 | E239-D243 PolarHBondContact O-N 2.69Å; L240-D243 PolarHBondContact O-N 3.46Å; D243-S245 PolarHBondContact O-N 3.18Å; D243-S246 WeakPolarHBondContact O-CB 3.26Å; D243-S246 PolarHBondContact O-N 3.46Å; D243-S246 PolarHBondContact O-OG 3.33Å; D243-A247 PolarHBondContact O-N 2.96Å; D243-A247 VanDerWaalsContact O-N 3.1Å |
| 244 | I | 51 | Low | 47.5 | Very low | 80 Ų | 80 | 106.6 Ų | 106.6 | 41% | 0.41 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -60.9 | -44.8 | 178.1 | -69.2 | 167.8 | 0 | 0 | 0 | 111.1 | L240 S246 A247 I248 | L240-I244 HydrophobicContact CD1-CD1 4.49Å; L240-I244 HydrophobicContact CG-CD1 4.04Å; L240-I244 WeakPolarHBondContact O-CG1 3.33Å; L240-I244 PolarHBondContact O-N 3.19Å; L240-I244 VanDerWaalsContact O-N 3.09Å; I244-S246 VanDerWaalsContact C-N 3.29Å; I244-S246 PolarHBondContact O-N 3.34Å; I244-A247 PolarHBondContact O-N 3.39Å; I244-I248 HydrophobicContact CG2-CD1 3.71Å; I244-I248 WeakPolarHBondContact O-CG1 3.37Å; I244-I248 PolarHBondContact O-N 3.4Å; I244-I248 VanDerWaalsContact O-N 3.14Å |
| 245 | S | 46.5 | Very low | 47.2 | Very low | 58 Ų | 58 | 110.6 Ų | 110.6 | 41% | 0.406 | 61% | 0.609 | S | S | . | * | H | α-helix | trans | -62.3 | -35.6 | 176.9 | -66.2 | 0 | 0 | 0 | 0 | 112.4 | D241 S242 D243 S249 | D241-S245 VanDerWaalsContact O-CB 3.27Å; D241-S245 WeakPolarHBondContact O-CB 3.13Å; D241-S245 PolarHBondContact O-N 3.37Å; D241-S245 PolarHBondContact O-OG 3.21Å; S242-S245 PolarHBondContact O-N 2.98Å; D243-S245 PolarHBondContact O-N 3.18Å; S245-S249 WeakPolarHBondContact O-CB 3.46Å; S245-S249 PolarHBondContact O-N 3.37Å; S245-S249 PolarHBondContact O-OG 2.92Å |
| 246 | S | 50.1 | Low | 47.4 | Very low | 72 Ų | 72 | 110.9 Ų | 110.9 | 50% | 0.503 | 61% | 0.611 | S | S | . | * | H | α-helix | trans | -66.2 | -41.6 | 175.4 | 85.4 | 0 | 0 | 0 | 0 | 112.4 | S242 D243 I244 I248 S249 | S242-S246 PolarHBondContact O-N 3.12Å; D243-S246 WeakPolarHBondContact O-CB 3.26Å; D243-S246 PolarHBondContact O-N 3.46Å; D243-S246 PolarHBondContact O-OG 3.33Å; I244-S246 VanDerWaalsContact C-N 3.29Å; I244-S246 PolarHBondContact O-N 3.34Å; S246-I248 VanDerWaalsContact C-N 3.35Å; S246-I248 PolarHBondContact O-N 3.5Å; S246-S249 PolarHBondContact O-N 2.94Å |
| 247 | A | 48 | Very low | 47.4 | Very low | 81 Ų | 81 | 106.9 Ų | 106.9 | 67% | 0.669 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -70.7 | -27.9 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113.4 | D243 I244 | D243-A247 PolarHBondContact O-N 2.96Å; D243-A247 VanDerWaalsContact O-N 3.1Å; I244-A247 PolarHBondContact O-N 3.39Å |
| 248 | I | 46.5 | Very low | 47.2 | Very low | 134 Ų | 134 | 109 Ų | 109 | 69% | 0.687 | 62% | 0.622 | S | S | * | * | H | α-helix | trans | -81 | -18.7 | 177.5 | -66.4 | 168.9 | 0 | 0 | 0 | 111.9 | I244 S246 Q250 | I244-I248 HydrophobicContact CG2-CD1 3.71Å; I244-I248 WeakPolarHBondContact O-CG1 3.37Å; I244-I248 PolarHBondContact O-N 3.4Å; I244-I248 VanDerWaalsContact O-N 3.14Å; S246-I248 VanDerWaalsContact C-N 3.35Å; S246-I248 PolarHBondContact O-N 3.5Å; I248-Q250 PolarHBondContact O-N 2.99Å |
| 249 | S | 45 | Very low | 47.2 | Very low | 98 Ų | 98 | 111.7 Ų | 111.7 | 69% | 0.685 | 64% | 0.635 | S | S | * | * | trans | -88 | 15.2 | -170.5 | -62.6 | 0 | 0 | 0 | 0 | 115.7 | S245 S246 | S245-S249 WeakPolarHBondContact O-CB 3.46Å; S245-S249 PolarHBondContact O-N 3.37Å; S245-S249 PolarHBondContact O-OG 2.92Å; S246-S249 PolarHBondContact O-N 2.94Å | ||
| 250 | Q | 44.7 | Very low | 46.7 | Very low | 161 Ų | 161 | 112.2 Ų | 112.2 | 75% | 0.752 | 65% | 0.648 | S | S | * | * | trans | -106.4 | 107.3 | 174.9 | -74.8 | -172.3 | -9.4 | 0 | 0 | 112 | I248 V252 | I248-Q250 PolarHBondContact O-N 2.99Å; Q250-V252 PolarHBondContact O-N 3Å | ||
| 251 | D | 41.4 | Very low | 46.1 | Very low | 175 Ų | 175 | 113.1 Ų | 113.1 | 94% | 0.936 | 66% | 0.663 | S | S | * | * | trans | -64.1 | 95.4 | 173 | -82.2 | -44.4 | 0 | 0 | 0 | 111.6 | S253 | D251-S253 PolarHBondContact O-N 3.5Š| ||
| 252 | V | 51.4 | Low | 45.2 | Very low | 119 Ų | 119 | 113 Ų | 113 | 72% | 0.721 | 68% | 0.676 | S | S | * | * | trans | -83.8 | 113.6 | 172 | -177.8 | 0 | 0 | 0 | 0 | 109.9 | Q250 L254 | Q250-V252 PolarHBondContact O-N 3Å; V252-L254 PolarHBondContact O-N 3.49Å | ||
| 253 | S | 43.7 | Very low | 44.3 | Very low | 61 Ų | 61 | 113.4 Ų | 113.4 | 43% | 0.427 | 69% | 0.692 | S | S | . | * | trans | -63.4 | 131.8 | 176.1 | -179.3 | 0 | 0 | 0 | 0 | 111.7 | D251 H255 D256 | D251-S253 PolarHBondContact O-N 3.5Å; S253-H255 PolarHBondContact O-N 2.92Å; S253-D256 PolarHBondContact O-N 3.37Å | ||
| 254 | L | 43.2 | Very low | 43.5 | Very low | 147 Ų | 147 | 112.1 Ų | 112.1 | 77% | 0.77 | 70% | 0.698 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -66.6 | 2.4 | -179.2 | -120.7 | 170.5 | 0 | 0 | 0 | 114.5 | V252 | V252-L254 PolarHBondContact O-N 3.49Š|
| 255 | H | 45.2 | Very low | 42.5 | Very low | 152 Ų | 152 | 118.8 Ų | 118.8 | 70% | 0.704 | 72% | 0.724 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -86.7 | -32.7 | 172.2 | -80.6 | -70.4 | 0 | 0 | 0 | 113.9 | S253 A257 M258 | S253-H255 PolarHBondContact O-N 2.92Å; H255-A257 VanDerWaalsContact C-N 3.31Å; H255-A257 PolarHBondContact O-N 2.93Å; H255-M258 PolarHBondContact O-N 3.45Å |
| 256 | D | 50.4 | Low | 41.6 | Very low | 129 Ų | 129 | 119.8 Ų | 119.8 | 69% | 0.69 | 74% | 0.744 | S | S | * | * | G | 310 helix | trans | -74 | -24.1 | -173.9 | -66 | -39.1 | 0 | 0 | 0 | 112.5 | S253 M258 | S253-D256 PolarHBondContact O-N 3.37Å; D256-M258 VanDerWaalsContact C-N 3.28Å; D256-M258 PolarHBondContact O-N 3.27Å |
| 257 | A | 48.8 | Very low | 40.6 | Very low | 82 Ų | 82 | 120.8 Ų | 120.8 | 68% | 0.678 | 76% | 0.757 | S | S | * | * | G | 310 helix | trans | -76.3 | -5.2 | 177.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | H255 | H255-A257 VanDerWaalsContact C-N 3.31Å; H255-A257 PolarHBondContact O-N 2.93Å |
| 258 | M | 41.9 | Very low | 39.7 | Very low | 147 Ų | 147 | 122.5 Ų | 122.5 | 72% | 0.724 | 76% | 0.759 | S | S | * | * | G | 310 helix | trans | -110.1 | 0 | -172.3 | -85.1 | -162.6 | 66.4 | 0 | 0 | 115.8 | H255 D256 | H255-M258 PolarHBondContact O-N 3.45Å; D256-M258 VanDerWaalsContact C-N 3.28Å; D256-M258 PolarHBondContact O-N 3.27Å |
| 259 | V | 48.4 | Very low | 38.8 | Very low | 119 Ų | 119 | 124.9 Ų | 124.9 | 72% | 0.721 | 77% | 0.767 | S | S | * | * | trans | -120.9 | 75.4 | -177.6 | -169.9 | 0 | 0 | 0 | 0 | 112 | ||||
| 260 | T | 37.7 | Very low | 38.1 | Very low | 147 Ų | 147 | 124.9 Ų | 124.9 | 90% | 0.902 | 77% | 0.767 | S | S | * | * | trans | -164.6 | 60.5 | 158.9 | 7.8 | 0 | 0 | 0 | 0 | 112.6 | ||||
| 261 | S | 34.3 | Very low | 37.3 | Very low | 119 Ų | 119 | 128 Ų | 128 | 83% | 0.832 | 77% | 0.772 | S | S | * | * | trans | -125 | 63.6 | 177.8 | 52.2 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 262 | A | 31.2 | Very low | 36.6 | Very low | 99 Ų | 99 | 125.6 Ų | 125.6 | 82% | 0.818 | 76% | 0.764 | S | S | * | * | trans | -157.5 | 113 | 164.4 | 0 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 263 | G | 32.8 | Very low | 35.5 | Very low | 87 Ų | 87 | 125.8 Ų | 125.8 | 90% | 0.897 | 77% | 0.765 | S | S | * | * | trans | -100.2 | 110.1 | 168.4 | 0 | 0 | 0 | 0 | 0 | 110.8 | ||||
| 264 | A | 31 | Very low | 34.8 | Very low | 87 Ų | 87 | 127.1 Ų | 127.1 | 72% | 0.719 | 77% | 0.774 | S | S | * | * | trans | -154 | 130.4 | 173.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | ||||
| 265 | F | 30.1 | Very low | 34.2 | Very low | 220 Ų | 220 | 126.5 Ų | 126.5 | 97% | 0.965 | 77% | 0.768 | S | S | * | * | trans | 15.2 | 133.5 | 156.6 | -61.4 | -92.5 | 0 | 0 | 0 | 120.8 | ||||
| 266 | G | 27.8 | Very low | 33.4 | Very low | 80 Ų | 80 | 127.2 Ų | 127.2 | 83% | 0.825 | 76% | 0.764 | S | S | * | * | trans | 152.8 | 111.7 | 149.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | ||||
| 267 | A | 28.8 | Very low | 32.4 | Very low | 93 Ų | 93 | 126 Ų | 126 | 77% | 0.769 | 75% | 0.754 | S | S | * | * | trans | -77.6 | -174.7 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | ||||
| 268 | T | 30 | Very low | 31.5 | Very low | 117 Ų | 117 | 130.9 Ų | 130.9 | 72% | 0.718 | 76% | 0.755 | S | S | * | * | trans | 84.1 | 119.9 | 155.5 | 4.5 | 0 | 0 | 0 | 0 | 119.5 | ||||
| 269 | E | 28.1 | Very low | 30.7 | Very low | 183 Ų | 183 | 129.7 Ų | 129.7 | 86% | 0.855 | 75% | 0.752 | S | S | * | * | trans | 59.2 | 156.1 | 138.4 | -80.1 | 171.5 | -165.1 | 0 | 0 | 120.3 | ||||
| 270 | S | 28.9 | Very low | 29.7 | Very low | 98 Ų | 98 | 130.7 Ų | 130.7 | 69% | 0.685 | 75% | 0.752 | S | S | * | * | cis | -152.5 | 139.7 | -6.9 | 50.4 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 271 | R | 27.6 | Very low | 29.3 | Very low | 226 Ų | 226 | 132 Ų | 132 | 85% | 0.853 | 75% | 0.753 | S | S | * | * | 64.4 | 145.1 | 93.5 | -157.2 | -177.7 | 172.6 | 168.3 | -1.6 | 116 | |||||
| 272 | T | 28.3 | Very low | 28.8 | Very low | 125 Ų | 125 | 135.9 Ų | 135.9 | 77% | 0.767 | 75% | 0.749 | S | S | * | * | trans | 82 | 143.8 | 173.5 | 76.5 | 0 | 0 | 0 | 0 | 115.1 | ||||
| 273 | V | 28.2 | Very low | 28.6 | Very low | 124 Ų | 124 | 137.7 Ų | 137.7 | 75% | 0.752 | 75% | 0.745 | S | S | * | * | cis | -151 | 135.9 | -7.7 | 115.2 | 0 | 0 | 0 | 0 | 107.1 | ||||
| 274 | S | 27.9 | Very low | 28.2 | Very low | 88 Ų | 88 | 139.9 Ų | 139.9 | 62% | 0.615 | 73% | 0.731 | S | S | * | * | 47.3 | 146.6 | 99.5 | -112.6 | 0 | 0 | 0 | 0 | 115.7 | |||||
| 275 | Q | 31.1 | Very low | 27.9 | Very low | 135 Ų | 135 | 140.3 Ų | 140.3 | 63% | 0.631 | 73% | 0.729 | S | S | * | * | cis | -158.6 | 159.7 | 6.5 | -151.8 | 161.2 | 100.1 | 0 | 0 | 105.6 | ||||
| 276 | R | 28.4 | Very low | 27.7 | Very low | 167 Ų | 167 | 135.7 Ų | 135.7 | 63% | 0.63 | 72% | 0.719 | S | S | * | * | cis | -152.8 | -165.6 | 35.2 | -30.5 | -172.8 | 65 | 64.9 | 15 | 107.3 | ||||
| 277 | E | 29.4 | Very low | 27.7 | Very low | 103 Ų | 103 | 139.3 Ų | 139.3 | 48% | 0.481 | 72% | 0.72 | S | S | . | * | cis | 178.7 | 149.4 | -21.9 | -112.7 | 171.8 | 174.7 | 0 | 0 | 104.3 | ||||
| 278 | R | 29.1 | Very low | 27.5 | Very low | 184 Ų | 184 | 140 Ų | 140 | 69% | 0.694 | 72% | 0.719 | S | S | * | * | cis | -145 | 170.2 | 3.9 | -83.5 | 167.6 | -173.2 | 67 | 16 | 105.5 | ||||
| 279 | N | 26.5 | Very low | 27.2 | Very low | 122 Ų | 122 | 139.4 Ų | 139.4 | 65% | 0.652 | 72% | 0.719 | S | S | * | * | cis | -153.4 | 160.8 | -5.3 | -117 | 18.3 | 0 | 0 | 0 | 106 | ||||
| 280 | L | 26.9 | Very low | 27.2 | Very low | 140 Ų | 140 | 138.4 Ų | 138.4 | 73% | 0.733 | 72% | 0.719 | S | S | * | * | 45.6 | 123.3 | 80.6 | -45.9 | -178.5 | 0 | 0 | 0 | 114 | |||||
| 281 | L | 28.6 | Very low | 27.1 | Very low | 175 Ų | 175 | 138 Ų | 138 | 92% | 0.916 | 72% | 0.716 | S | S | * | * | cis | -131.6 | 179.9 | 36.5 | -74.7 | 164.6 | 0 | 0 | 0 | 114.8 | ||||
| 282 | R | 23.7 | Very low | 27.1 | Very low | 200 Ų | 200 | 134.6 Ų | 134.6 | 76% | 0.755 | 72% | 0.715 | S | S | * | * | trans | -138.1 | 161.4 | -176.3 | 166.8 | -179.7 | 172.3 | 177.9 | -0.3 | 109.8 | E284 | R282-E284 IonicContact CZ-OE1 2.82Å; R282-E284 IonicContact NE-OE1 3.94Å; R282-E284 PolarHBondContact NE-OE1 3.49Å; R282-E284 IonicContact NH2-OE1 3.12Å; R282-E284 PolarHBondContact NH2-OE1 2.75Å | ||
| 283 | L | 26.4 | Very low | 27 | Very low | 138 Ų | 138 | 134.5 Ų | 134.5 | 72% | 0.723 | 72% | 0.719 | S | S | * | * | trans | 117.8 | 125 | 172.7 | -65.5 | 162.1 | 0 | 0 | 0 | 109.4 | ||||
| 284 | E | 25.3 | Very low | 27.1 | Very low | 132 Ų | 132 | 136.6 Ų | 136.6 | 62% | 0.617 | 73% | 0.725 | S | S | * | * | 67.3 | 120.3 | 56.1 | -59.7 | 169.2 | -140.2 | 0 | 0 | 110.9 | R282 | R282-E284 IonicContact CZ-OE1 2.82Å; R282-E284 IonicContact NE-OE1 3.94Å; R282-E284 PolarHBondContact NE-OE1 3.49Å; R282-E284 IonicContact NH2-OE1 3.12Å; R282-E284 PolarHBondContact NH2-OE1 2.75Å | |||
| 285 | S | 25.6 | Very low | 27.4 | Very low | 97 Ų | 97 | 138.3 Ų | 138.3 | 68% | 0.678 | 74% | 0.735 | S | S | * | * | cis | -162.7 | 161.6 | 1.3 | -88.4 | 0 | 0 | 0 | 0 | 113.6 | ||||
| 286 | T | 25.2 | Very low | 27.2 | Very low | 122 Ų | 122 | 135.4 Ų | 135.4 | 75% | 0.748 | 74% | 0.74 | S | S | * | * | trans | 52.3 | 117 | 153 | 52 | 0 | 0 | 0 | 0 | 121.5 | ||||
| 287 | N | 26.7 | Very low | 27.8 | Very low | 157 Ų | 157 | 137 Ų | 137 | 84% | 0.84 | 76% | 0.758 | S | S | * | * | -169.7 | 157.2 | 103.2 | -95.4 | -25.5 | 0 | 0 | 0 | 114.5 | |||||
| 288 | S | 25.1 | Very low | 27.8 | Very low | 108 Ų | 108 | 136.3 Ų | 136.3 | 76% | 0.755 | 77% | 0.769 | S | S | * | * | trans | -30.9 | 155.8 | 167.9 | 51.1 | 0 | 0 | 0 | 0 | 118 | ||||
| 289 | S | 24.5 | Very low | 28.2 | Very low | 104 Ų | 104 | 133.9 Ų | 133.9 | 73% | 0.727 | 78% | 0.775 | S | S | * | * | cis | -173.3 | 145.9 | -3.6 | 168 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 290 | L | 27.1 | Very low | 28.7 | Very low | 162 Ų | 162 | 131.9 Ų | 131.9 | 85% | 0.848 | 78% | 0.783 | S | S | * | * | trans | 172.6 | 170.9 | 140.4 | -96.2 | 160.7 | 0 | 0 | 0 | 112 | ||||
| 291 | S | 28.1 | Very low | 29.2 | Very low | 89 Ų | 89 | 133 Ų | 133 | 62% | 0.622 | 79% | 0.789 | S | S | * | * | trans | -47.3 | 137.4 | -179.1 | 51.7 | 0 | 0 | 0 | 0 | 116.8 | ||||
| 292 | D | 26.6 | Very low | 29.5 | Very low | 155 Ų | 155 | 129.6 Ų | 129.6 | 83% | 0.829 | 79% | 0.786 | S | S | * | * | -179 | 124 | 106.8 | -87 | -13.1 | 0 | 0 | 0 | 111.3 | |||||
| 293 | S | 26.2 | Very low | 30 | Very low | 123 Ų | 123 | 124.5 Ų | 124.5 | 86% | 0.86 | 79% | 0.787 | S | S | * | * | trans | -110.1 | 81.9 | 177.5 | 62.4 | 0 | 0 | 0 | 0 | 111.3 | ||||
| 294 | L | 30.6 | Very low | 30.5 | Very low | 167 Ų | 167 | 125.3 Ų | 125.3 | 87% | 0.874 | 79% | 0.791 | S | S | * | * | trans | -67.8 | 136.6 | 171 | -166 | 72.3 | 0 | 0 | 0 | 109.9 | G296 | L294-G296 PolarHBondContact O-N 3.31Š| ||
| 295 | P | 34.3 | Very low | 30.8 | Very low | 125 Ų | 125 | 124.1 Ų | 124.1 | 81% | 0.812 | 80% | 0.795 | S | S | * | * | trans | -73.5 | 118 | -175.4 | 27.8 | -33.6 | 0 | 0 | 0 | 111.9 | ||||
| 296 | G | 27.6 | Very low | 31.2 | Very low | 73 Ų | 73 | 127.8 Ų | 127.8 | 75% | 0.753 | 80% | 0.799 | S | S | * | * | trans | -119.3 | 139.5 | 178 | 0 | 0 | 0 | 0 | 0 | 112.5 | L294 A298 | L294-G296 PolarHBondContact O-N 3.31Å; G296-A298 PolarHBondContact O-N 3.49Å | ||
| 297 | M | 40.8 | Very low | 31.3 | Very low | 202 Ų | 202 | 126.9 Ų | 126.9 | 100% | 0.995 | 80% | 0.803 | S | S | * | * | trans | -43.5 | 125.6 | -173.9 | -66.4 | 173.6 | 165.6 | 0 | 0 | 116.2 | ||||
| 298 | A | 29.8 | Very low | 31.4 | Very low | 88 Ų | 88 | 124.9 Ų | 124.9 | 73% | 0.727 | 80% | 0.802 | S | S | * | * | trans | -158.1 | 153.1 | 152.5 | 0 | 0 | 0 | 0 | 0 | 111.7 | G296 | G296-A298 PolarHBondContact O-N 3.49Š| ||
| 299 | V | 35.8 | Very low | 31.7 | Very low | 133 Ų | 133 | 125.8 Ų | 125.8 | 81% | 0.806 | 80% | 0.802 | S | S | * | * | trans | 59.7 | 61.6 | 166.7 | -156.1 | 0 | 0 | 0 | 0 | 116.9 | L301 | V299-L301 PolarHBondContact O-N 3.17Š| ||
| 300 | G | 38.5 | Very low | 32 | Very low | 80 Ų | 80 | 126.4 Ų | 126.4 | 83% | 0.825 | 81% | 0.805 | S | S | * | * | trans | -82.4 | 97.5 | 147.2 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 301 | L | 36.6 | Very low | 32.4 | Very low | 164 Ų | 164 | 126.5 Ų | 126.5 | 86% | 0.859 | 81% | 0.806 | S | S | * | * | trans | -166.6 | 50.5 | 166.4 | -110.3 | -177.3 | 0 | 0 | 0 | 112.1 | V299 | V299-L301 PolarHBondContact O-N 3.17Š| ||
| 302 | A | 35.4 | Very low | 32.4 | Very low | 103 Ų | 103 | 129.6 Ų | 129.6 | 85% | 0.851 | 82% | 0.815 | S | S | * | * | trans | -142.2 | 41.1 | -175.6 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 303 | A | 34.5 | Very low | 32.4 | Very low | 93 Ų | 93 | 129.1 Ų | 129.1 | 77% | 0.769 | 82% | 0.818 | S | S | * | * | trans | -145.6 | 73.8 | -178.1 | 0 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 304 | L | 35.5 | Very low | 32.5 | Very low | 155 Ų | 155 | 126 Ų | 126 | 81% | 0.812 | 81% | 0.805 | S | S | * | * | trans | -131.8 | 127.4 | 167 | -71.2 | 176.3 | 0 | 0 | 0 | 109.4 | F306 | L304-F306 PolarHBondContact O-N 3.29Š| ||
| 305 | P | 32.7 | Very low | 32.6 | Very low | 107 Ų | 107 | 125 Ų | 125 | 70% | 0.695 | 80% | 0.801 | S | S | * | * | S | Bend | trans | -81.7 | 27.7 | -166.2 | 34.1 | -38 | 0 | 0 | 0 | 114.8 | ||
| 306 | F | 33.8 | Very low | 32.4 | Very low | 174 Ų | 174 | 126.2 Ų | 126.2 | 76% | 0.763 | 80% | 0.8 | S | S | * | * | trans | -133.3 | 60.1 | -176.2 | -70.1 | -70.9 | 0 | 0 | 0 | 112.8 | L304 | L304-F306 PolarHBondContact O-N 3.29Š| ||
| 307 | A | 27.5 | Very low | 32.4 | Very low | 102 Ų | 102 | 128.5 Ų | 128.5 | 84% | 0.843 | 80% | 0.8 | S | S | * | * | trans | -122.8 | 70.8 | 168.5 | 0 | 0 | 0 | 0 | 0 | 110 | ||||
| 308 | S | 29.4 | Very low | 32 | Very low | 116 Ų | 116 | 124.1 Ų | 124.1 | 81% | 0.811 | 79% | 0.789 | S | S | * | * | trans | -94.3 | 147 | 175.4 | -165.3 | 0 | 0 | 0 | 0 | 111.9 | ||||
| 309 | V | 31 | Very low | 32.1 | Very low | 126 Ų | 126 | 129.3 Ų | 129.3 | 76% | 0.764 | 80% | 0.798 | S | S | * | * | trans | -60.9 | 127.5 | -172 | 178.7 | 0 | 0 | 0 | 0 | 112.8 | ||||
| 310 | C | 31 | Very low | 31.8 | Very low | 117 Ų | 117 | 128.9 Ų | 128.9 | 79% | 0.791 | 80% | 0.801 | S | S | * | * | trans | -160.2 | 121.9 | 150.8 | -96 | 0 | 0 | 0 | 0 | 107.6 | ||||
| 311 | N | 34.1 | Very low | 31.5 | Very low | 164 Ų | 164 | 129.9 Ų | 129.9 | 88% | 0.877 | 80% | 0.801 | S | S | * | * | trans | -95.9 | 159.1 | -165.5 | -120.1 | -28.7 | 0 | 0 | 0 | 114.6 | ||||
| 312 | L | 27.8 | Very low | 31.5 | Very low | 154 Ų | 154 | 131.1 Ų | 131.1 | 81% | 0.806 | 81% | 0.808 | S | S | * | * | trans | -83.4 | 147.4 | -175.4 | -167.5 | 74.2 | 0 | 0 | 0 | 112.3 | ||||
| 313 | T | 27 | Very low | 31.6 | Very low | 146 Ų | 146 | 130 Ų | 130 | 90% | 0.896 | 81% | 0.806 | S | S | * | * | trans | -140.3 | 124.2 | 166.7 | -59.6 | 0 | 0 | 0 | 0 | 111.4 | ||||
| 314 | G | 29.5 | Very low | 31.4 | Very low | 57 Ų | 57 | 131.2 Ų | 131.2 | 59% | 0.588 | 81% | 0.809 | S | S | * | * | trans | 88.4 | 127.3 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.5 | ||||
| 315 | N | 31.7 | Very low | 31.6 | Very low | 147 Ų | 147 | 129.5 Ų | 129.5 | 79% | 0.786 | 81% | 0.809 | S | S | * | * | cis | -157.3 | 135.7 | 2.8 | -148.4 | 18 | 0 | 0 | 0 | 110.8 | ||||
| 316 | L | 29.7 | Very low | 31.9 | Very low | 149 Ų | 149 | 133 Ų | 133 | 78% | 0.78 | 82% | 0.821 | S | S | * | * | trans | 38.3 | 129.7 | 166 | -81.8 | 79.3 | 0 | 0 | 0 | 119.1 | ||||
| 317 | T | 28.6 | Very low | 33 | Very low | 122 Ų | 122 | 130 Ų | 130 | 75% | 0.748 | 81% | 0.813 | S | S | * | * | cis | -150.1 | 169.1 | 40.1 | 48.2 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 318 | S | 32 | Very low | 34.4 | Very low | 110 Ų | 110 | 132.9 Ų | 132.9 | 77% | 0.769 | 81% | 0.809 | S | S | * | * | trans | 75.1 | 77.4 | 154.6 | -57.8 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 319 | Q | 33.1 | Very low | 35.5 | Very low | 197 Ų | 197 | 129.9 Ų | 129.9 | 92% | 0.921 | 79% | 0.791 | S | S | * | * | trans | 35 | 106.4 | 138.1 | -61 | -177.3 | 2.4 | 0 | 0 | 120.4 | ||||
| 320 | S | 27.9 | Very low | 36.8 | Very low | 123 Ų | 123 | 127.7 Ų | 127.7 | 86% | 0.86 | 78% | 0.778 | S | S | * | * | -170.1 | 167.2 | 129.6 | 48 | 0 | 0 | 0 | 0 | 111.2 | |||||
| 321 | A | 32.7 | Very low | 37.9 | Very low | 102 Ų | 102 | 129 Ų | 129 | 84% | 0.843 | 77% | 0.77 | S | S | * | * | trans | 62 | 113.3 | 174.8 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 322 | L | 37.4 | Very low | 38.9 | Very low | 189 Ų | 189 | 126.7 Ų | 126.7 | 99% | 0.99 | 75% | 0.754 | S | S | * | * | trans | -83 | 134.4 | 162.5 | -83 | 149.7 | 0 | 0 | 0 | 109.6 | ||||
| 323 | G | 36.4 | Very low | 40 | Very low | 80 Ų | 80 | 125.1 Ų | 125.1 | 83% | 0.825 | 74% | 0.743 | S | S | * | * | trans | 174.7 | 61.2 | 180 | 0 | 0 | 0 | 0 | 0 | 114.6 | ||||
| 324 | S | 31.8 | Very low | 41.4 | Very low | 118 Ų | 118 | 121.8 Ų | 121.8 | 83% | 0.825 | 72% | 0.719 | S | S | * | * | trans | -156.2 | 113 | 175.2 | -177.7 | 0 | 0 | 0 | 0 | 112.5 | ||||
| 325 | C | 38.1 | Very low | 42.5 | Very low | 120 Ų | 120 | 123.5 Ų | 123.5 | 81% | 0.811 | 71% | 0.714 | S | S | * | * | trans | 178.9 | 86.1 | 141.4 | 56.3 | 0 | 0 | 0 | 0 | 111.7 | ||||
| 326 | L | 39.9 | Very low | 43.4 | Very low | 179 Ų | 179 | 123.3 Ų | 123.3 | 94% | 0.937 | 71% | 0.709 | S | S | * | * | trans | -131.6 | 136.8 | 150 | -75.6 | 178.7 | 0 | 0 | 0 | 106.8 | ||||
| 327 | D | 56.5 | Low | 44.3 | Very low | 112 Ų | 112 | 121.9 Ų | 121.9 | 60% | 0.599 | 70% | 0.701 | S | S | * | * | trans | -94.4 | 141 | -162.5 | -172.4 | 21.5 | 0 | 0 | 0 | 112.8 | A329 V330 | D327-A329 PolarHBondContact O-N 3.28Å; D327-A329 VanDerWaalsContact O-N 3.17Å; D327-A329 WeakPolarHBondContact OD2-CB 3.32Å; D327-V330 PolarHBondContact O-N 3.35Å; D327-V330 VanDerWaalsContact O-N 3.07Å | ||
| 328 | E | 56.1 | Low | 45.1 | Very low | 162 Ų | 162 | 118.4 Ų | 118.4 | 76% | 0.757 | 69% | 0.69 | S | S | * | * | H | α-helix | trans | -55.5 | -34.5 | -179.5 | -164.4 | 81.5 | -179.3 | 0 | 0 | 111.2 | V330 F331 E332 | E328-V330 PolarHBondContact O-N 3.11Å; E328-V330 VanDerWaalsContact O-N 3.15Å; E328-F331 PolarHBondContact O-N 3.48Å; E328-E332 PolarHBondContact O-N 3.01Å |
| 329 | A | 52.3 | Low | 45.7 | Very low | 54 Ų | 54 | 119.2 Ų | 119.2 | 45% | 0.446 | 69% | 0.685 | S | S | . | * | H | α-helix | trans | -56.8 | -29 | 178.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | D327 F331 Q333 | D327-A329 PolarHBondContact O-N 3.28Å; D327-A329 VanDerWaalsContact O-N 3.17Å; D327-A329 WeakPolarHBondContact OD2-CB 3.32Å; A329-F331 VanDerWaalsContact C-N 3.35Å; A329-Q333 WeakPolarHBondContact O-CB 3.47Å; A329-Q333 PolarHBondContact O-N 2.88Å |
| 330 | V | 58.8 | Low | 46.3 | Very low | 80 Ų | 80 | 110.9 Ų | 110.9 | 49% | 0.485 | 65% | 0.652 | S | S | . | * | H | α-helix | trans | -69.1 | -36.1 | 177.9 | -176.6 | 0 | 0 | 0 | 0 | 111 | D327 E328 Q333 I334 | D327-V330 PolarHBondContact O-N 3.35Å; D327-V330 VanDerWaalsContact O-N 3.07Å; E328-V330 PolarHBondContact O-N 3.11Å; E328-V330 VanDerWaalsContact O-N 3.15Å; V330-Q333 PolarHBondContact O-N 2.98Å; V330-I334 HydrophobicContact CG1-CD1 4.19Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 3.11Å |
| 331 | F | 53.8 | Low | 47.4 | Very low | 143 Ų | 143 | 112 Ų | 112 | 63% | 0.627 | 65% | 0.648 | S | S | * | * | H | α-helix | trans | -74.8 | -40.5 | -179.2 | -154.9 | -96.2 | 0 | 0 | 0 | 111.7 | E328 A329 Q333 I334 N335 | E328-F331 PolarHBondContact O-N 3.48Å; A329-F331 VanDerWaalsContact C-N 3.35Å; F331-Q333 VanDerWaalsContact C-N 3.3Å; F331-Q333 PolarHBondContact O-N 3.16Å; F331-I334 PolarHBondContact O-N 2.7Å; F331-N335 PolarHBondContact O-N 2.95Å |
| 332 | E | 56.2 | Low | 48.3 | Very low | 116 Ų | 116 | 115 Ų | 115 | 54% | 0.542 | 64% | 0.644 | S | S | . | * | H | α-helix | trans | -56.6 | -43.7 | 169.3 | -175 | 72.1 | -135 | 0 | 0 | 111 | E328 N335 Q336 | E328-E332 PolarHBondContact O-N 3.01Å; E332-N335 PolarHBondContact O-N 3.49Å; E332-Q336 WeakPolarHBondContact O-CG 3.43Å; E332-Q336 PolarHBondContact O-N 2.91Å; E332-Q336 PolarHBondContact OE1-NE2 2.92Å |
| 333 | Q | 51 | Low | 48.8 | Very low | 121 Ų | 121 | 108.5 Ų | 108.5 | 57% | 0.565 | 62% | 0.618 | S | S | * | * | H | α-helix | trans | -67.8 | -37.1 | 179.1 | -166 | 172.6 | 25.3 | 0 | 0 | 113.3 | A329 V330 F331 N335 Q336 L337 | A329-Q333 WeakPolarHBondContact O-CB 3.47Å; A329-Q333 PolarHBondContact O-N 2.88Å; V330-Q333 PolarHBondContact O-N 2.98Å; F331-Q333 VanDerWaalsContact C-N 3.3Å; F331-Q333 PolarHBondContact O-N 3.16Å; Q333-N335 VanDerWaalsContact C-N 3.34Å; Q333-N335 PolarHBondContact O-N 3.48Å; Q333-Q336 PolarHBondContact O-N 3.3Å; Q333-L337 WeakPolarHBondContact O-CG 3.27Å; Q333-L337 PolarHBondContact O-N 2.86Å |
| 334 | I | 55.2 | Low | 49.4 | Very low | 77 Ų | 77 | 109.1 Ų | 109.1 | 40% | 0.395 | 60% | 0.601 | S | S | . | * | H | α-helix | trans | -63.6 | -39.5 | 175 | -71 | 163.7 | 0 | 0 | 0 | 111.3 | V330 F331 L337 | V330-I334 HydrophobicContact CG1-CD1 4.19Å; V330-I334 WeakPolarHBondContact O-CG1 3.21Å; V330-I334 PolarHBondContact O-N 3.11Å; F331-I334 PolarHBondContact O-N 2.7Å; I334-L337 PolarHBondContact O-N 2.97Å |
| 335 | N | 52.4 | Low | 50.3 | Low | 92 Ų | 92 | 109.2 Ų | 109.2 | 49% | 0.492 | 59% | 0.593 | S | S | . | * | H | α-helix | trans | -65.7 | -41.2 | 173.7 | -77.2 | -30.6 | 0 | 0 | 0 | 112 | F331 E332 Q333 L337 G338 | F331-N335 PolarHBondContact O-N 2.95Å; E332-N335 PolarHBondContact O-N 3.49Å; Q333-N335 VanDerWaalsContact C-N 3.34Å; Q333-N335 PolarHBondContact O-N 3.48Å; N335-L337 PolarHBondContact O-N 2.98Å; N335-G338 PolarHBondContact O-N 3.05Å; N335-G338 VanDerWaalsContact O-N 3.09Å |
| 336 | Q | 52.1 | Low | 50.7 | Low | 144 Ų | 144 | 108.9 Ų | 108.9 | 67% | 0.673 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -67.2 | -21 | 176.9 | -69.7 | 179 | 28.5 | 0 | 0 | 113.6 | E332 Q333 G338 | E332-Q336 WeakPolarHBondContact O-CG 3.43Å; E332-Q336 PolarHBondContact O-N 2.91Å; E332-Q336 PolarHBondContact OE1-NE2 2.92Å; Q333-Q336 PolarHBondContact O-N 3.3Å; Q336-G338 VanDerWaalsContact C-N 3.28Å; Q336-G338 PolarHBondContact O-N 2.93Å |
| 337 | L | 47.5 | Very low | 50.7 | Low | 118 Ų | 118 | 107.6 Ų | 107.6 | 62% | 0.618 | 57% | 0.572 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.1 | 0 | 172.5 | -71.5 | 168.4 | 0 | 0 | 0 | 113.9 | Q333 I334 N335 L339 | Q333-L337 WeakPolarHBondContact O-CG 3.27Å; Q333-L337 PolarHBondContact O-N 2.86Å; I334-L337 PolarHBondContact O-N 2.97Å; N335-L337 PolarHBondContact O-N 2.98Å; L337-L339 VanDerWaalsContact C-N 3.28Å; L337-L339 HydrophobicContact CB-CG 4.47Å; L337-L339 PolarHBondContact O-N 3.47Å |
| 338 | G | 45.2 | Very low | 50.3 | Low | 50 Ų | 50 | 107.1 Ų | 107.1 | 52% | 0.515 | 57% | 0.569 | S | S | . | * | T | Hydrogen-bonded Turn | trans | 75.3 | 10.1 | 175 | 0 | 0 | 0 | 0 | 0 | 115.2 | N335 Q336 G340 | N335-G338 PolarHBondContact O-N 3.05Å; N335-G338 VanDerWaalsContact O-N 3.09Å; Q336-G338 VanDerWaalsContact C-N 3.28Å; Q336-G338 PolarHBondContact O-N 2.93Å; G338-G340 PolarHBondContact O-N 3.31Å |
| 339 | L | 44.7 | Very low | 49.4 | Very low | 126 Ų | 126 | 104.7 Ų | 104.7 | 66% | 0.66 | 56% | 0.561 | S | S | * | * | trans | -85.6 | 24.6 | -178.3 | -61.8 | 177.1 | 0 | 0 | 0 | 113.6 | L337 | L337-L339 VanDerWaalsContact C-N 3.28Å; L337-L339 HydrophobicContact CB-CG 4.47Å; L337-L339 PolarHBondContact O-N 3.47Å | ||
| 340 | G | 46.7 | Very low | 48.7 | Very low | 23 Ų | 23 | 111.2 Ų | 111.2 | 24% | 0.237 | 58% | 0.575 | C | S | . | * | trans | -66.6 | 151.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | G338 E342 A343 | G338-G340 PolarHBondContact O-N 3.31Å; G340-E342 PolarHBondContact O-N 3.24Å; G340-A343 PolarHBondContact O-N 3.06Å | ||
| 341 | L | 50.8 | Low | 47.7 | Very low | 146 Ų | 146 | 113.3 Ų | 113.3 | 76% | 0.764 | 58% | 0.583 | S | S | * | * | H | α-helix | trans | -49.3 | -34.5 | 179.6 | -100.3 | 71.7 | 0 | 0 | 0 | 113.2 | A343 I344 D345 | L341-A343 PolarHBondContact O-N 3.1Å; L341-I344 WeakPolarHBondContact O-CB 3.23Å; L341-I344 PolarHBondContact O-N 3.17Å; L341-D345 PolarHBondContact O-N 3.46Å; L341-D345 VanDerWaalsContact O-N 3.15Å |
| 342 | E | 50.8 | Low | 47.1 | Very low | 165 Ų | 165 | 113 Ų | 113 | 77% | 0.771 | 58% | 0.584 | S | S | * | * | H | α-helix | trans | -63.1 | -22.8 | -177 | -54.5 | -179.2 | -115.1 | 0 | 0 | 113 | G340 N346 | G340-E342 PolarHBondContact O-N 3.24Å; E342-N346 PolarHBondContact O-ND2 3.32Å |
| 343 | A | 47.7 | Very low | 46.1 | Very low | 52 Ų | 52 | 112.5 Ų | 112.5 | 43% | 0.43 | 59% | 0.592 | S | S | . | * | H | α-helix | trans | -78.4 | -31.1 | 172 | 0 | 0 | 0 | 0 | 0 | 112.7 | G340 L341 | G340-A343 PolarHBondContact O-N 3.06Å; L341-A343 PolarHBondContact O-N 3.1Å |
| 344 | I | 50.7 | Low | 45.6 | Very low | 93 Ų | 93 | 113.1 Ų | 113.1 | 48% | 0.477 | 60% | 0.599 | S | S | . | * | H | α-helix | trans | -76.8 | -39.3 | -178 | -56.9 | 175.2 | 0 | 0 | 0 | 110.5 | L341 N346 Q347 L348 | L341-I344 WeakPolarHBondContact O-CB 3.23Å; L341-I344 PolarHBondContact O-N 3.17Å; I344-N346 VanDerWaalsContact C-N 3.26Å; I344-N346 PolarHBondContact O-N 2.98Å; I344-Q347 PolarHBondContact O-N 3.3Å; I344-L348 HydrophobicContact CG2-CD1 4.15Å; I344-L348 HydrophobicContact CG2-CG 4.48Å; I344-L348 PolarHBondContact O-N 2.94Å |
| 345 | D | 48.9 | Very low | 44.9 | Very low | 121 Ų | 121 | 115.6 Ų | 115.6 | 65% | 0.647 | 61% | 0.613 | S | S | * | * | H | α-helix | trans | -55.3 | -41.8 | 176.6 | -128.7 | 32.5 | 0 | 0 | 0 | 111.6 | L341 Q347 L348 N349 | L341-D345 PolarHBondContact O-N 3.46Å; L341-D345 VanDerWaalsContact O-N 3.15Å; D345-Q347 PolarHBondContact O-N 3.46Å; D345-L348 PolarHBondContact O-N 3.4Å; D345-N349 PolarHBondContact O-N 2.93Å |
| 346 | N | 46.9 | Very low | 44.1 | Very low | 113 Ų | 113 | 116.2 Ų | 116.2 | 60% | 0.604 | 62% | 0.624 | S | S | * | * | H | α-helix | trans | -70.2 | -26.7 | 177.9 | -77.6 | -75 | 0 | 0 | 0 | 113.9 | E342 I344 | E342-N346 PolarHBondContact O-ND2 3.32Å; I344-N346 VanDerWaalsContact C-N 3.26Å; I344-N346 PolarHBondContact O-N 2.98Å |
| 347 | Q | 40.8 | Very low | 43.2 | Very low | 152 Ų | 152 | 120.7 Ų | 120.7 | 71% | 0.71 | 64% | 0.635 | S | S | * | * | H | α-helix | trans | -78.7 | -38.8 | 174.1 | -74.5 | -168.8 | -11.1 | 0 | 0 | 112.2 | I344 D345 Y350 L351 | I344-Q347 PolarHBondContact O-N 3.3Å; D345-Q347 PolarHBondContact O-N 3.46Å; Q347-Y350 PolarHBondContact O-N 3.22Å; Q347-L351 PolarHBondContact O-N 3.37Å |
| 348 | L | 47.8 | Very low | 42.7 | Very low | 101 Ų | 101 | 118.7 Ų | 118.7 | 53% | 0.529 | 64% | 0.636 | S | S | . | * | H | α-helix | trans | -63.9 | -44.9 | 179.2 | -72 | 169.7 | 0 | 0 | 0 | 111.8 | I344 D345 Y350 L351 E352 | I344-L348 HydrophobicContact CG2-CD1 4.15Å; I344-L348 HydrophobicContact CG2-CG 4.48Å; I344-L348 PolarHBondContact O-N 2.94Å; D345-L348 PolarHBondContact O-N 3.4Å; L348-Y350 PolarHBondContact O-N 3.07Å; L348-L351 PolarHBondContact O-N 3.07Å; L348-E352 PolarHBondContact O-N 3.13Å |
| 349 | N | 37.3 | Very low | 42.2 | Very low | 111 Ų | 111 | 125.4 Ų | 125.4 | 59% | 0.594 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -60.3 | -26.8 | 178 | -167.9 | 24.2 | 0 | 0 | 0 | 113.3 | D345 | D345-N349 PolarHBondContact O-N 2.93Å |
| 350 | Y | 37.1 | Very low | 42.1 | Very low | 191 Ų | 191 | 128.6 Ų | 128.6 | 75% | 0.749 | 66% | 0.662 | S | S | * | * | H | α-helix | trans | -80.3 | -25.6 | 174.8 | -118.7 | -82.1 | 0 | 0 | 0 | 113.4 | Q347 L348 | Q347-Y350 PolarHBondContact O-N 3.22Å; L348-Y350 PolarHBondContact O-N 3.07Å |
| 351 | L | 38.7 | Very low | 41.7 | Very low | 124 Ų | 124 | 135 Ų | 135 | 65% | 0.649 | 69% | 0.691 | S | S | * | * | H | α-helix | trans | -83 | -38.4 | 179.6 | -150.8 | 72 | 0 | 0 | 0 | 111.2 | Q347 L348 C353 L354 | Q347-L351 PolarHBondContact O-N 3.37Å; L348-L351 PolarHBondContact O-N 3.07Å; L351-C353 PolarHBondContact O-N 2.79Å; L351-L354 PolarHBondContact O-N 3.11Å; L351-L354 VanDerWaalsContact O-N 3.12Å |
| 352 | E | 41.1 | Very low | 41.3 | Very low | 138 Ų | 138 | 136.7 Ų | 136.7 | 65% | 0.645 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -60 | -26.8 | 176.7 | -168.2 | 162.2 | -160.3 | 0 | 0 | 112.7 | L348 L354 | L348-E352 PolarHBondContact O-N 3.13Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.9Å |
| 353 | C | 34.4 | Very low | 40.3 | Very low | 105 Ų | 105 | 136.8 Ų | 136.8 | 71% | 0.709 | 71% | 0.706 | S | S | * | * | H | α-helix | trans | -74.6 | -15.7 | 177.7 | -169.3 | 0 | 0 | 0 | 0 | 114.7 | L351 | L351-C353 PolarHBondContact O-N 2.79Å |
| 354 | L | 40.2 | Very low | 39.9 | Very low | 134 Ų | 134 | 140.2 Ų | 140.2 | 70% | 0.702 | 73% | 0.727 | S | S | * | * | H | α-helix | trans | -96.2 | -29 | -176 | -80.7 | 163.9 | 0 | 0 | 0 | 114.2 | L351 E352 | L351-L354 PolarHBondContact O-N 3.11Å; L351-L354 VanDerWaalsContact O-N 3.12Å; E352-L354 VanDerWaalsContact C-N 3.34Å; E352-L354 PolarHBondContact O-N 2.9Å |
| 355 | D | 40.8 | Very low | 39.3 | Very low | 129 Ų | 129 | 143.6 Ų | 143.6 | 69% | 0.69 | 75% | 0.746 | S | S | * | * | H | α-helix | trans | -77.2 | -33.4 | -174.4 | -114.9 | -5.4 | 0 | 0 | 0 | 112.9 | R357 | D355-R357 PolarHBondContact O-N 3.15Å |
| 356 | S | 35.6 | Very low | 38.9 | Very low | 105 Ų | 105 | 143.7 Ų | 143.7 | 73% | 0.734 | 76% | 0.756 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -75.1 | 25.3 | -172.9 | -46 | 0 | 0 | 0 | 0 | 115.6 | ||
| 357 | R | 34.7 | Very low | 38.2 | Very low | 237 Ų | 237 | 142 Ų | 142 | 89% | 0.894 | 77% | 0.765 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -144.2 | 18.1 | -175.5 | -144.7 | 175.8 | -173.3 | 156.4 | 5.2 | 115.6 | D355 | D355-R357 PolarHBondContact O-N 3.15Š|
| 358 | A | 36.5 | Very low | 37.9 | Very low | 77 Ų | 77 | 143.1 Ų | 143.1 | 64% | 0.636 | 78% | 0.775 | S | S | * | * | S | Bend | trans | -133.6 | 5 | -173.8 | 0 | 0 | 0 | 0 | 0 | 115.3 | ||
| 359 | F | 33.7 | Very low | 37.2 | Very low | 191 Ų | 191 | 144.2 Ų | 144.2 | 84% | 0.838 | 79% | 0.791 | S | S | * | * | S | Bend | trans | -135.3 | 11.8 | -168.7 | -96 | -75.2 | 0 | 0 | 0 | 116.6 | ||
| 360 | E | 43 | Very low | 37 | Very low | 192 Ų | 192 | 147.2 Ų | 147.2 | 90% | 0.897 | 81% | 0.806 | S | S | * | * | S | Bend | trans | -117.3 | 72.8 | 172.2 | -72.2 | -173.8 | 127.1 | 0 | 0 | 111.1 | ||
| 361 | D | 38.7 | Very low | 36.7 | Very low | 159 Ų | 159 | 146.5 Ų | 146.5 | 85% | 0.85 | 81% | 0.81 | S | S | * | * | trans | 170 | 110.5 | 147.9 | -101.8 | -18.6 | 0 | 0 | 0 | 108.7 | ||||
| 362 | L | 41.5 | Very low | 36.4 | Very low | 181 Ų | 181 | 144.1 Ų | 144.1 | 95% | 0.948 | 80% | 0.804 | S | S | * | * | trans | 171.5 | 67.2 | 152 | -98.2 | 167.2 | 0 | 0 | 0 | 111.2 | ||||
| 363 | D | 31.1 | Very low | 36 | Very low | 167 Ų | 167 | 142.8 Ų | 142.8 | 89% | 0.893 | 81% | 0.81 | S | S | * | * | trans | -132.1 | 92.8 | 167.1 | -134.8 | -8.5 | 0 | 0 | 0 | 108.6 | ||||
| 364 | S | 38 | Very low | 35.8 | Very low | 124 Ų | 124 | 148.2 Ų | 148.2 | 87% | 0.867 | 82% | 0.816 | S | S | * | * | trans | -165.2 | 120.2 | 179.4 | -79.7 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 365 | D | 38.4 | Very low | 35.4 | Very low | 163 Ų | 163 | 145.6 Ų | 145.6 | 87% | 0.872 | 82% | 0.822 | S | S | * | * | trans | -63.2 | 139.6 | 172.9 | -88.5 | -55.3 | 0 | 0 | 0 | 112.9 | ||||
| 366 | S | 40 | Very low | 34.7 | Very low | 124 Ų | 124 | 145.3 Ų | 145.3 | 87% | 0.867 | 83% | 0.829 | S | S | * | * | trans | -173.2 | 128.1 | 137.4 | -90.3 | 0 | 0 | 0 | 0 | 115.7 | ||||
| 367 | G | 33.8 | Very low | 35.2 | Very low | 77 Ų | 77 | 145.5 Ų | 145.5 | 79% | 0.794 | 83% | 0.828 | S | S | * | * | 74.6 | 106.8 | 116.2 | 0 | 0 | 0 | 0 | 0 | 119.5 | |||||
| 368 | L | 34.5 | Very low | 35 | Very low | 176 Ų | 176 | 140.1 Ų | 140.1 | 92% | 0.921 | 82% | 0.821 | S | S | * | * | trans | -59.5 | 139.7 | 161.9 | -59.9 | 166.8 | 0 | 0 | 0 | 112.1 | ||||
| 369 | S | 32.3 | Very low | 34.7 | Very low | 123 Ų | 123 | 141.7 Ų | 141.7 | 86% | 0.86 | 83% | 0.827 | S | S | * | * | trans | -168.7 | 146.4 | 138.9 | -84.3 | 0 | 0 | 0 | 0 | 112.9 | ||||
| 370 | L | 32.9 | Very low | 35.3 | Very low | 174 Ų | 174 | 138.9 Ų | 138.9 | 91% | 0.911 | 83% | 0.828 | S | S | * | * | trans | -98.3 | 139.1 | 166.4 | -63.6 | 164.7 | 0 | 0 | 0 | 108.7 | ||||
| 371 | E | 31.7 | Very low | 34.6 | Very low | 176 Ų | 176 | 133.4 Ų | 133.4 | 82% | 0.822 | 82% | 0.823 | S | S | * | * | trans | -165.3 | 161.7 | 135.7 | -163.6 | 43.8 | -92.3 | 0 | 0 | 111.1 | ||||
| 372 | S | 30.5 | Very low | 34.2 | Very low | 75 Ų | 75 | 131.7 Ų | 131.7 | 52% | 0.524 | 82% | 0.823 | S | S | . | * | trans | -99 | 151.1 | -170.5 | -36.7 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 373 | S | 33 | Very low | 33.9 | Very low | 110 Ų | 110 | 128 Ų | 128 | 77% | 0.769 | 81% | 0.812 | S | S | * | * | trans | -169.7 | 112.1 | 137 | -89.1 | 0 | 0 | 0 | 0 | 116.6 | ||||
| 374 | Y | 31.6 | Very low | 33.9 | Very low | 218 Ų | 218 | 128 Ų | 128 | 86% | 0.855 | 81% | 0.808 | S | S | * | * | trans | 18.1 | 132.7 | 136.5 | -49.3 | -78.7 | 0 | 0 | 0 | 122.4 | ||||
| 375 | G | 30.3 | Very low | 33.6 | Very low | 80 Ų | 80 | 129.9 Ų | 129.9 | 83% | 0.825 | 80% | 0.804 | S | S | * | * | trans | 176.5 | 74.6 | 162.4 | 0 | 0 | 0 | 0 | 0 | 118.4 | ||||
| 376 | C | 26.8 | Very low | 33.2 | Very low | 122 Ų | 122 | 127.4 Ų | 127.4 | 82% | 0.824 | 80% | 0.8 | S | S | * | * | trans | -7.2 | 168.5 | 161 | -100.3 | 0 | 0 | 0 | 0 | 123.1 | ||||
| 377 | P | 45.9 | Very low | 32.7 | Very low | 110 Ų | 110 | 127.3 Ų | 127.3 | 71% | 0.714 | 80% | 0.799 | S | S | * | * | cis | -141.2 | 151.3 | -1.1 | 34.8 | -13.3 | 0 | 0 | 0 | 119 | ||||
| 378 | V | 29.7 | Very low | 32.4 | Very low | 124 Ų | 124 | 128.7 Ų | 128.7 | 75% | 0.752 | 80% | 0.803 | S | S | * | * | trans | 47.4 | 99.9 | 136.7 | -169.9 | 0 | 0 | 0 | 0 | 122 | ||||
| 379 | S | 30.5 | Very low | 32.1 | Very low | 109 Ų | 109 | 127.4 Ų | 127.4 | 76% | 0.762 | 80% | 0.803 | S | S | * | * | 50.6 | 167.7 | 117.9 | -43.1 | 0 | 0 | 0 | 0 | 123.3 | |||||
| 380 | P | 47.1 | Very low | 31.9 | Very low | 133 Ų | 133 | 126.9 Ų | 126.9 | 86% | 0.864 | 80% | 0.799 | S | S | * | * | cis | -131 | 171.3 | -7.4 | 40.6 | -25 | 0 | 0 | 0 | 116.2 | ||||
| 381 | G | 28.3 | Very low | 31.6 | Very low | 76 Ų | 76 | 124 Ų | 124 | 78% | 0.784 | 79% | 0.793 | S | S | * | * | trans | 165.2 | 102.2 | 160.3 | 0 | 0 | 0 | 0 | 0 | 117.8 | ||||
| 382 | S | 30.2 | Very low | 31.5 | Very low | 123 Ų | 123 | 122.6 Ų | 122.6 | 86% | 0.86 | 78% | 0.781 | S | S | * | * | trans | -3.1 | 146.2 | 155.9 | 51 | 0 | 0 | 0 | 0 | 120.8 | ||||
| 383 | S | 35.1 | Very low | 31.8 | Very low | 103 Ų | 103 | 128.1 Ų | 128.1 | 72% | 0.72 | 79% | 0.792 | S | S | * | * | cis | -160.7 | 150.1 | 13.6 | 49.6 | 0 | 0 | 0 | 0 | 114.5 | ||||
| 384 | E | 32 | Very low | 32.3 | Very low | 169 Ų | 169 | 129 Ų | 129 | 79% | 0.79 | 78% | 0.784 | S | S | * | * | trans | 18.1 | 142.6 | 130.6 | -54.5 | 179 | 162.9 | 0 | 0 | 119.4 | ||||
| 385 | M | 30.3 | Very low | 32.6 | Very low | 163 Ų | 163 | 126.3 Ų | 126.3 | 80% | 0.803 | 78% | 0.779 | S | S | * | * | cis | -146.8 | 150.2 | 44.1 | -173.7 | 65.6 | 69.2 | 0 | 0 | 113.5 | ||||
| 386 | S | 30.3 | Very low | 33 | Very low | 111 Ų | 111 | 131.3 Ų | 131.3 | 78% | 0.776 | 78% | 0.781 | S | S | * | * | trans | -90.2 | 153.1 | 179.6 | -58.3 | 0 | 0 | 0 | 0 | 114.3 | ||||
| 387 | S | 29.1 | Very low | 33.4 | Very low | 122 Ų | 122 | 129.3 Ų | 129.3 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | trans | -69.6 | 153.5 | 159.7 | -55.3 | 0 | 0 | 0 | 0 | 111.6 | ||||
| 388 | A | 28 | Very low | 32.9 | Very low | 105 Ų | 105 | 128 Ų | 128 | 87% | 0.868 | 79% | 0.787 | S | S | * | * | trans | -141.1 | 132.9 | 167.4 | 0 | 0 | 0 | 0 | 0 | 111 | ||||
| 389 | T | 29.1 | Very low | 33.1 | Very low | 150 Ų | 150 | 126.2 Ų | 126.2 | 92% | 0.92 | 79% | 0.786 | S | S | * | * | trans | -121.2 | 125.2 | 178.7 | -62 | 0 | 0 | 0 | 0 | 109.4 | ||||
| 390 | S | 26.7 | Very low | 33.5 | Very low | 112 Ų | 112 | 128.2 Ų | 128.2 | 78% | 0.783 | 79% | 0.794 | S | S | * | * | trans | -175.8 | 141.4 | 173.8 | -173 | 0 | 0 | 0 | 0 | 108.4 | ||||
| 391 | S | 28.3 | Very low | 33 | Very low | 112 Ų | 112 | 125.2 Ų | 125.2 | 78% | 0.783 | 79% | 0.787 | S | S | * | * | cis | -157.5 | 175.9 | -16.9 | 54.1 | 0 | 0 | 0 | 0 | 108.5 | ||||
| 392 | Y | 28 | Very low | 33.2 | Very low | 148 Ų | 148 | 132.5 Ų | 132.5 | 58% | 0.58 | 79% | 0.792 | S | S | * | * | trans | -100.9 | 145.6 | 178.8 | 137.2 | -95.1 | 0 | 0 | 0 | 111.1 | E394 | Y392-E394 HydrophobicContact CE2-CG 4.47Š| ||
| 393 | Y | 37.5 | Very low | 33.6 | Very low | 191 Ų | 191 | 131.7 Ų | 131.7 | 75% | 0.749 | 79% | 0.787 | S | S | * | * | trans | -177.9 | 116.9 | 134.5 | -104.8 | -73.4 | 0 | 0 | 0 | 112.5 | ||||
| 394 | E | 44.4 | Very low | 33.6 | Very low | 128 Ų | 128 | 131 Ų | 131 | 60% | 0.598 | 78% | 0.782 | S | S | * | * | trans | 57.3 | 138.3 | 145.5 | -68.5 | -65.6 | -171.8 | 0 | 0 | 129.3 | Y392 | Y392-E394 HydrophobicContact CE2-CG 4.47Š| ||
| 395 | E | 36.9 | Very low | 33.7 | Very low | 162 Ų | 162 | 131.3 Ų | 131.3 | 76% | 0.757 | 78% | 0.783 | S | S | * | * | trans | 65.6 | 153.4 | 135.6 | -147.9 | 152.5 | -138.2 | 0 | 0 | 125.7 | ||||
| 396 | E | 38.8 | Very low | 34 | Very low | 184 Ų | 184 | 129.7 Ų | 129.7 | 86% | 0.86 | 78% | 0.783 | S | S | * | * | trans | -10.9 | 148.6 | -177.8 | -67.8 | -166.6 | 123.7 | 0 | 0 | 123.2 | ||||
| 397 | G | 36.3 | Very low | 34.1 | Very low | 81 Ų | 81 | 131.7 Ų | 131.7 | 84% | 0.835 | 78% | 0.784 | S | S | * | * | trans | 152.1 | 110.2 | 149.5 | 0 | 0 | 0 | 0 | 0 | 115.8 | ||||
| 398 | G | 34.4 | Very low | 34.3 | Very low | 81 Ų | 81 | 131 Ų | 131 | 84% | 0.835 | 78% | 0.78 | S | S | * | * | trans | -82.4 | 169.6 | -170.3 | 0 | 0 | 0 | 0 | 0 | 118.9 | ||||
| 399 | A | 33.9 | Very low | 34.6 | Very low | 88 Ų | 88 | 135.4 Ų | 135.4 | 73% | 0.727 | 78% | 0.779 | S | S | * | * | trans | 67.4 | 119.6 | 150.7 | 0 | 0 | 0 | 0 | 0 | 121.6 | ||||
| 400 | T | 39.8 | Very low | 35.5 | Very low | 150 Ų | 150 | 133.8 Ų | 133.8 | 92% | 0.92 | 77% | 0.771 | S | S | * | * | trans | 63.3 | 147.7 | 151.3 | 60.6 | 0 | 0 | 0 | 0 | 118.8 | ||||
| 401 | G | 35.2 | Very low | 36.3 | Very low | 70 Ų | 70 | 133.7 Ų | 133.7 | 72% | 0.722 | 77% | 0.768 | S | S | * | * | cis | 159.1 | 151.4 | -7.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | ||||
| 402 | Y | 33.2 | Very low | 36.6 | Very low | 229 Ų | 229 | 138.1 Ų | 138.1 | 90% | 0.898 | 77% | 0.773 | S | S | * | * | trans | 71.5 | 138.2 | 167.9 | -110.9 | -107 | 0 | 0 | 0 | 120.6 | ||||
| 403 | S | 37.6 | Very low | 36.8 | Very low | 106 Ų | 106 | 134.7 Ų | 134.7 | 74% | 0.741 | 78% | 0.783 | S | S | * | * | trans | 65.1 | 157.9 | 152.7 | -75.6 | 0 | 0 | 0 | 0 | 120.6 | ||||
| 404 | S | 36.8 | Very low | 36.5 | Very low | 89 Ų | 89 | 134 Ų | 134 | 62% | 0.622 | 79% | 0.791 | S | S | * | * | cis | -170.4 | 127.7 | -21.7 | 179.6 | 0 | 0 | 0 | 0 | 111.8 | ||||
| 405 | E | 33.3 | Very low | 36.1 | Very low | 175 Ų | 175 | 134.1 Ų | 134.1 | 82% | 0.818 | 80% | 0.795 | S | S | * | * | trans | 53.9 | 169.3 | 149.2 | -62.8 | -175.7 | -175.4 | 0 | 0 | 123 | ||||
| 406 | V | 35.6 | Very low | 35.8 | Very low | 130 Ų | 130 | 132.7 Ų | 132.7 | 79% | 0.788 | 79% | 0.792 | S | S | * | * | trans | 66.4 | 94.9 | 165.4 | -56.7 | 0 | 0 | 0 | 0 | 122.5 | ||||
| 407 | D | 33 | Very low | 35.4 | Very low | 152 Ų | 152 | 131.3 Ų | 131.3 | 81% | 0.813 | 79% | 0.785 | S | S | * | * | 61.9 | 165 | 114.3 | -156.6 | 24.4 | 0 | 0 | 0 | 122.5 | |||||
| 408 | S | 34.4 | Very low | 35 | Very low | 108 Ų | 108 | 138.2 Ų | 138.2 | 76% | 0.755 | 79% | 0.786 | S | S | * | * | trans | 103.7 | 135.1 | 170.2 | -50.1 | 0 | 0 | 0 | 0 | 117 | ||||
| 409 | K | 33 | Very low | 35 | Very low | 198 Ų | 198 | 138.3 Ų | 138.3 | 86% | 0.861 | 78% | 0.779 | S | S | * | * | trans | -107.2 | 159.6 | -174.8 | -75.4 | 176.2 | 179.3 | 172.6 | 0 | 112.6 | ||||
| 410 | P | 48.3 | Very low | 34.9 | Very low | 116 Ų | 116 | 142.1 Ų | 142.1 | 75% | 0.753 | 78% | 0.784 | S | S | * | * | trans | -92.9 | 161.2 | -168.4 | 36.7 | -37.8 | 0 | 0 | 0 | 115.2 | ||||
| 411 | P | 44.2 | Very low | 34.5 | Very low | 110 Ų | 110 | 146.1 Ų | 146.1 | 71% | 0.714 | 78% | 0.782 | S | S | * | * | trans | -90.8 | 138.3 | 149.7 | 27.2 | -12.8 | 0 | 0 | 0 | 110.1 | ||||
| 412 | K | 34.6 | Very low | 34.7 | Very low | 204 Ų | 204 | 147.7 Ų | 147.7 | 89% | 0.887 | 78% | 0.78 | S | S | * | * | 49.6 | 105.4 | 76 | -60.7 | 177.9 | -179.3 | 177.5 | 0 | 111.3 | |||||
| 413 | G | 31.6 | Very low | 34.9 | Very low | 77 Ų | 77 | 142.9 Ų | 142.9 | 79% | 0.794 | 78% | 0.777 | S | S | * | * | cis | 108.2 | 106.2 | 14.9 | 0 | 0 | 0 | 0 | 0 | 110.4 | ||||
| 414 | I | 31.4 | Very low | 34.9 | Very low | 177 Ų | 177 | 144 Ų | 144 | 91% | 0.908 | 78% | 0.779 | S | S | * | * | trans | -144.9 | 147 | 173.2 | -94.5 | 163.7 | 0 | 0 | 0 | 107 | ||||
| 415 | L | 35.5 | Very low | 34.8 | Very low | 130 Ų | 130 | 145.9 Ų | 145.9 | 68% | 0.681 | 78% | 0.782 | S | S | * | * | trans | -110.2 | 145.2 | -177.2 | -166.2 | 73.1 | 0 | 0 | 0 | 109.6 | ||||
| 416 | D | 30.2 | Very low | 35.3 | Very low | 132 Ų | 132 | 145.5 Ų | 145.5 | 71% | 0.706 | 79% | 0.785 | S | S | * | * | 166.1 | 107.8 | 125.9 | -84.5 | -2.7 | 0 | 0 | 0 | 114 | |||||
| 417 | H | 30.7 | Very low | 35.8 | Very low | 154 Ų | 154 | 143.8 Ų | 143.8 | 71% | 0.713 | 78% | 0.779 | S | S | * | * | trans | 30.8 | 126.6 | 137 | -47 | -66.1 | 0 | 0 | 0 | 121.9 | ||||
| 418 | R | 28.7 | Very low | 35.9 | Very low | 226 Ų | 226 | 145.7 Ų | 145.7 | 85% | 0.853 | 78% | 0.782 | S | S | * | * | 151.5 | 106.2 | 92.9 | -174.6 | 177.1 | -176.3 | 169.9 | 1.7 | 115.8 | |||||
| 419 | A | 33.8 | Very low | 36.3 | Very low | 84 Ų | 84 | 144.9 Ų | 144.9 | 69% | 0.694 | 78% | 0.777 | S | S | * | * | trans | -177.6 | 92.6 | 147.5 | 0 | 0 | 0 | 0 | 0 | 108.9 | ||||
| 420 | M | 32.4 | Very low | 36.8 | Very low | 168 Ų | 168 | 141.1 Ų | 141.1 | 83% | 0.828 | 77% | 0.77 | S | S | * | * | 59.3 | 92.8 | 77.9 | -166.3 | 68.6 | 86 | 0 | 0 | 113.9 | |||||
| 421 | W | 31.5 | Very low | 36.5 | Very low | 233 Ų | 233 | 146.4 Ų | 146.4 | 88% | 0.883 | 78% | 0.775 | S | S | * | * | trans | -133.5 | 150.8 | 161.1 | -76.7 | 83.2 | 0 | 0 | 0 | 108.3 | ||||
| 422 | P | 38.4 | Very low | 36.2 | Very low | 103 Ų | 103 | 148.6 Ų | 148.6 | 67% | 0.669 | 78% | 0.776 | S | S | * | * | trans | -81.2 | 157.9 | -170.6 | 33.1 | -36.2 | 0 | 0 | 0 | 113.5 | ||||
| 423 | P | 37.9 | Very low | 36.3 | Very low | 128 Ų | 128 | 145 Ų | 145 | 83% | 0.831 | 77% | 0.766 | S | S | * | * | trans | -78 | 150.9 | 174.4 | 33.2 | -34.1 | 0 | 0 | 0 | 112 | ||||
| 424 | V | 37.6 | Very low | 36.9 | Very low | 129 Ų | 129 | 149.2 Ų | 149.2 | 78% | 0.782 | 77% | 0.765 | S | S | * | * | trans | -119.8 | 145.9 | 169.1 | 177 | 0 | 0 | 0 | 0 | 108.2 | ||||
| 425 | D | 34.5 | Very low | 37.3 | Very low | 129 Ų | 129 | 145.5 Ų | 145.5 | 69% | 0.69 | 75% | 0.754 | S | S | * | * | trans | -70.1 | 150.5 | -174.4 | -171.7 | 29.8 | 0 | 0 | 0 | 113.1 | S427 | D425-S427 PolarHBondContact OD2-OG 3.34Š| ||
| 426 | L | 43.1 | Very low | 37.4 | Very low | 167 Ų | 167 | 150.5 Ų | 150.5 | 87% | 0.874 | 77% | 0.766 | S | S | * | * | trans | -118.9 | 92.4 | 173.5 | -87.1 | 88.8 | 0 | 0 | 0 | 109.8 | ||||
| 427 | S | 48 | Very low | 37.9 | Very low | 95 Ų | 95 | 150.2 Ų | 150.2 | 66% | 0.664 | 77% | 0.774 | S | S | * | * | trans | -141.6 | 55.9 | 179.2 | 52.4 | 0 | 0 | 0 | 0 | 112.6 | D425 | D425-S427 PolarHBondContact OD2-OG 3.34Š| ||
| 428 | E | 34.4 | Very low | 38.1 | Very low | 191 Ų | 191 | 147.8 Ų | 147.8 | 89% | 0.893 | 77% | 0.774 | S | S | * | * | trans | -130 | 103.4 | 170.9 | -157.8 | 163.6 | -132.3 | 0 | 0 | 111.9 | ||||
| 429 | S | 41.4 | Very low | 38.5 | Very low | 91 Ų | 91 | 142.5 Ų | 142.5 | 64% | 0.636 | 77% | 0.769 | S | S | * | * | trans | -79.1 | 119.8 | -178.8 | -57.2 | 0 | 0 | 0 | 0 | 111 | W431 | S429-W431 PolarHBondContact O-N 2.94Š| ||
| 430 | V | 44.3 | Very low | 38.9 | Very low | 119 Ų | 119 | 143.9 Ų | 143.9 | 72% | 0.721 | 77% | 0.772 | S | S | * | * | trans | -77 | 89 | 178.1 | -175 | 0 | 0 | 0 | 0 | 110.6 | H432 | V430-H432 PolarHBondContact O-N 3.44Å; V430-H432 PolarHBondContact O-ND1 3.32Å | ||
| 431 | W | 41.3 | Very low | 39 | Very low | 228 Ų | 228 | 144.1 Ų | 144.1 | 86% | 0.864 | 78% | 0.775 | S | S | * | * | trans | -64.3 | 122.2 | 173.3 | -64.4 | 91 | 0 | 0 | 0 | 110.9 | S429 | S429-W431 PolarHBondContact O-N 2.94Š| ||
| 432 | H | 39.3 | Very low | 39.2 | Very low | 156 Ų | 156 | 141.1 Ų | 141.1 | 72% | 0.722 | 78% | 0.775 | S | S | * | * | trans | -97.3 | 86.4 | 175.9 | -72.8 | 64.5 | 0 | 0 | 0 | 109.6 | V430 | V430-H432 PolarHBondContact O-N 3.44Å; V430-H432 PolarHBondContact O-ND1 3.32Å | ||
| 433 | D | 36.9 | Very low | 38.7 | Very low | 128 Ų | 128 | 141.1 Ų | 141.1 | 68% | 0.684 | 78% | 0.778 | S | S | * | * | trans | -98.5 | 108.2 | 178.2 | -166.6 | -6.9 | 0 | 0 | 0 | 110.8 | ||||
| 434 | H | 42.8 | Very low | 38.5 | Very low | 165 Ų | 165 | 143.1 Ų | 143.1 | 76% | 0.764 | 78% | 0.778 | S | S | * | * | trans | -132.2 | 61.5 | -176.2 | -72.3 | -5.3 | 0 | 0 | 0 | 110.9 | ||||
| 435 | S | 40.1 | Very low | 38.3 | Very low | 99 Ų | 99 | 142.1 Ų | 142.1 | 69% | 0.692 | 78% | 0.775 | S | S | * | * | P | Polyproline II helix | trans | -58.5 | 134.9 | 167.1 | -71.6 | 0 | 0 | 0 | 0 | 111.7 | S437 | S435-S437 PolarHBondContact O-N 3.27Š|
| 436 | Y | 38.8 | Very low | 38.6 | Very low | 236 Ų | 236 | 141.8 Ų | 141.8 | 93% | 0.925 | 78% | 0.78 | S | S | * | * | P | Polyproline II helix | trans | -63.6 | 132.9 | 172.7 | -94 | -106.5 | 0 | 0 | 0 | 110.5 | S438 | Y436-S438 PolarHBondContact O-N 3.43Š|
| 437 | S | 39.1 | Very low | 38.2 | Very low | 126 Ų | 126 | 142.3 Ų | 142.3 | 88% | 0.881 | 78% | 0.782 | S | S | * | * | P | Polyproline II helix | trans | -67.6 | 119.9 | -174 | -46.2 | 0 | 0 | 0 | 0 | 113.1 | S435 | S435-S437 PolarHBondContact O-N 3.27Š|
| 438 | S | 35.3 | Very low | 37.6 | Very low | 102 Ų | 102 | 149.2 Ų | 149.2 | 71% | 0.713 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -94.5 | 158.5 | 162.3 | 53.5 | 0 | 0 | 0 | 0 | 111 | Y436 | Y436-S438 PolarHBondContact O-N 3.43Š|
| 439 | P | 38.5 | Very low | 37.6 | Very low | 115 Ų | 115 | 148.2 Ų | 148.2 | 75% | 0.747 | 79% | 0.794 | S | S | * | * | P | Polyproline II helix | trans | -74.9 | 141.3 | -175.9 | -15.3 | 31.1 | 0 | 0 | 0 | 112.8 | L441 | P439-L441 PolarHBondContact O-N 3.02Š|
| 440 | P | 41.7 | Very low | 37.5 | Very low | 114 Ų | 114 | 149.2 Ų | 149.2 | 74% | 0.74 | 80% | 0.798 | S | S | * | * | trans | -77.3 | 111.2 | -179.5 | 30.2 | -33.9 | 0 | 0 | 0 | 112.4 | L442 | P440-L442 PolarHBondContact O-N 3.32Š| ||
| 441 | L | 34.1 | Very low | 36.6 | Very low | 173 Ų | 173 | 150 Ų | 150 | 91% | 0.906 | 81% | 0.807 | S | S | * | * | trans | -79.2 | 109.9 | 164.9 | -67.9 | 176.5 | 0 | 0 | 0 | 109.7 | P439 | P439-L441 PolarHBondContact O-N 3.02Š| ||
| 442 | L | 35.7 | Very low | 36.2 | Very low | 169 Ų | 169 | 148.2 Ų | 148.2 | 89% | 0.885 | 81% | 0.805 | S | S | * | * | trans | -79.5 | 129.8 | -179 | -69.3 | 174.8 | 0 | 0 | 0 | 112.4 | P440 | P440-L442 PolarHBondContact O-N 3.32Š| ||
| 443 | S | 28.6 | Very low | 35.8 | Very low | 103 Ų | 103 | 147.6 Ų | 147.6 | 72% | 0.72 | 81% | 0.813 | S | S | * | * | trans | -144.7 | 88.9 | 174.1 | -169.9 | 0 | 0 | 0 | 0 | 112.7 | ||||
| 444 | M | 33.3 | Very low | 35.8 | Very low | 170 Ų | 170 | 149.7 Ų | 149.7 | 84% | 0.837 | 82% | 0.819 | S | S | * | * | trans | 65.7 | 165.7 | 157.2 | -53.2 | -57.8 | 153.6 | 0 | 0 | 118.5 | ||||
| 445 | P | 32.6 | Very low | 35.7 | Very low | 109 Ų | 109 | 149.3 Ų | 149.3 | 71% | 0.708 | 82% | 0.817 | S | S | * | * | cis | -121.8 | 165.8 | -33.6 | 32.2 | -16.6 | 0 | 0 | 0 | 112.5 | ||||
| 446 | P | 41.6 | Very low | 35.9 | Very low | 122 Ų | 122 | 150.4 Ų | 150.4 | 79% | 0.792 | 82% | 0.822 | S | S | * | * | P | Polyproline II helix | trans | -83.1 | 131.2 | -176.3 | 32 | -34.6 | 0 | 0 | 0 | 114.1 | ||
| 447 | L | 34.8 | Very low | 36.5 | Very low | 178 Ų | 178 | 147.5 Ų | 147.5 | 93% | 0.932 | 82% | 0.817 | S | S | * | * | P | Polyproline II helix | trans | -98.4 | 121.6 | 164.7 | -67.5 | 178.8 | 0 | 0 | 0 | 110.5 | ||
| 448 | R | 35 | Very low | 37 | Very low | 239 Ų | 239 | 151 Ų | 151 | 90% | 0.902 | 82% | 0.819 | S | S | * | * | P | Polyproline II helix | trans | -88.7 | 150.4 | 173.6 | -71.4 | 176.2 | 165.9 | 165.6 | -5.7 | 111.1 | ||
| 449 | L | 34.5 | Very low | 37.4 | Very low | 171 Ų | 171 | 151.2 Ų | 151.2 | 90% | 0.895 | 81% | 0.812 | S | S | * | * | trans | -168.1 | 162.1 | 140.2 | -95.5 | 162.6 | 0 | 0 | 0 | 107.3 | ||||
| 450 | P | 38.9 | Very low | 37.6 | Very low | 112 Ų | 112 | 149.3 Ų | 149.3 | 73% | 0.727 | 81% | 0.813 | S | S | * | * | trans | -132.5 | 161.8 | -131 | 40.8 | -25.2 | 0 | 0 | 0 | 116.7 | ||||
| 451 | C | 25.8 | Very low | 37.6 | Very low | 135 Ų | 135 | 154.3 Ų | 154.3 | 91% | 0.912 | 82% | 0.817 | S | S | * | * | trans | -144.4 | 162 | 142.8 | -141.3 | 0 | 0 | 0 | 0 | 111 | ||||
| 452 | K | 33.1 | Very low | 38.4 | Very low | 190 Ų | 190 | 148.3 Ų | 148.3 | 83% | 0.826 | 79% | 0.79 | S | S | * | * | trans | -105.9 | 137.9 | -174.6 | -60.5 | 178.9 | 179.1 | -175.9 | 0 | 111.8 | ||||
| 453 | T | 29.9 | Very low | 39.1 | Very low | 143 Ų | 143 | 146.9 Ų | 146.9 | 88% | 0.877 | 78% | 0.778 | S | S | * | * | trans | -153.6 | 151.9 | 138 | -68.3 | 0 | 0 | 0 | 0 | 106 | ||||
| 454 | E | 37.8 | Very low | 40.2 | Very low | 173 Ų | 173 | 148.2 Ų | 148.2 | 81% | 0.808 | 78% | 0.777 | S | S | * | * | trans | -97.2 | 131.5 | -164.3 | -59.3 | 174.7 | 167.6 | 0 | 0 | 111.9 | ||||
| 455 | E | 40.7 | Very low | 41.2 | Very low | 157 Ų | 157 | 147 Ų | 147 | 73% | 0.734 | 77% | 0.769 | S | S | * | * | trans | 43.3 | 152.7 | 145.2 | -57 | -49.5 | 129.6 | 0 | 0 | 122.2 | ||||
| 456 | P | 44.8 | Very low | 42.3 | Very low | 121 Ų | 121 | 145.6 Ų | 145.6 | 79% | 0.786 | 75% | 0.753 | S | S | * | * | cis | -121 | 164.2 | 10.7 | 40.7 | -28.2 | 0 | 0 | 0 | 116 | ||||
| 457 | E | 50.8 | Low | 42.9 | Very low | 176 Ų | 176 | 147.4 Ų | 147.4 | 82% | 0.822 | 75% | 0.751 | S | S | * | * | trans | -75.5 | 132.4 | 171.3 | -56.1 | -163 | 142.5 | 0 | 0 | 113.6 | ||||
| 458 | E | 48.8 | Very low | 44.8 | Very low | 198 Ų | 198 | 147.7 Ų | 147.7 | 93% | 0.925 | 75% | 0.748 | S | S | * | * | trans | -176 | 64.9 | 135.9 | -104.4 | -156.3 | 158.1 | 0 | 0 | 112.7 | ||||
| 459 | D | 43.9 | Very low | 47.1 | Very low | 108 Ų | 108 | 138.5 Ų | 138.5 | 58% | 0.578 | 72% | 0.716 | S | S | * | * | trans | -158.7 | 17.1 | 160.6 | -144.5 | -13.2 | 0 | 0 | 0 | 115.6 | R461 S462 | D459-R461 PolarHBondContact O-N 3.48Å; D459-R461 VanDerWaalsContact O-N 3.08Å; D459-S462 PolarHBondContact O-OG 2.78Å; D459-S462 VanDerWaalsContact O-OG 3.14Å; D459-S462 WeakPolarHBondContact OD1-CB 3.34Å; D459-S462 PolarHBondContact OD1-OG 3.39Å | ||
| 460 | G | 42.8 | Very low | 49.6 | Very low | 74 Ų | 74 | 133.5 Ų | 133.5 | 76% | 0.763 | 70% | 0.695 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -72.7 | -1.4 | -168.5 | 0 | 0 | 0 | 0 | 0 | 117 | ||
| 461 | R | 43.1 | Very low | 52.2 | Low | 220 Ų | 220 | 135.1 Ų | 135.1 | 83% | 0.83 | 69% | 0.687 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -109.4 | -27.2 | -174.8 | -74.5 | -173.5 | 175.1 | -128 | 0.7 | 114.6 | D459 | D459-R461 PolarHBondContact O-N 3.48Å; D459-R461 VanDerWaalsContact O-N 3.08Å |
| 462 | S | 50.8 | Low | 55.5 | Low | 46 Ų | 46 | 129.3 Ų | 129.3 | 32% | 0.322 | 65% | 0.647 | S | S | . | * | H | α-helix | trans | -63.5 | -46.1 | -176.5 | 52.7 | 0 | 0 | 0 | 0 | 112.2 | D459 L464 E465 E466 | D459-S462 PolarHBondContact O-OG 2.78Å; D459-S462 VanDerWaalsContact O-OG 3.14Å; D459-S462 WeakPolarHBondContact OD1-CB 3.34Å; D459-S462 PolarHBondContact OD1-OG 3.39Å; S462-L464 VanDerWaalsContact C-N 3.33Å; S462-L464 PolarHBondContact O-N 3.35Å; S462-E465 PolarHBondContact O-N 2.95Å; S462-E466 WeakPolarHBondContact O-CG 3.29Å; S462-E466 PolarHBondContact O-N 3.01Å |
| 463 | Q | 50.4 | Low | 58.5 | Low | 139 Ų | 139 | 121.7 Ų | 121.7 | 65% | 0.65 | 61% | 0.614 | S | S | * | * | H | α-helix | trans | -64.8 | -30.8 | -170.6 | -59.6 | 179.7 | 15.1 | 0 | 0 | 114.1 | Q467 | Q463-Q467 PolarHBondContact O-N 3.05Å |
| 464 | L | 51.3 | Low | 61.6 | Low | 132 Ų | 132 | 118.1 Ų | 118.1 | 69% | 0.691 | 59% | 0.589 | S | S | * | * | H | α-helix | trans | -74.3 | -33.8 | 177.8 | -76.1 | 170.1 | 0 | 0 | 0 | 112.4 | S462 Q467 | S462-L464 VanDerWaalsContact C-N 3.33Å; S462-L464 PolarHBondContact O-N 3.35Å; L464-Q467 WeakPolarHBondContact O-CB 3.37Å; L464-Q467 PolarHBondContact O-N 2.84Å |
| 465 | E | 54.3 | Low | 64.3 | Low | 144 Ų | 144 | 115.8 Ų | 115.8 | 67% | 0.673 | 57% | 0.573 | S | S | * | * | H | α-helix | trans | -73.5 | -29 | 173.9 | -67.4 | -174.5 | -177.7 | 0 | 0 | 111.9 | S462 Q467 L469 | S462-E465 PolarHBondContact O-N 2.95Å; E465-Q467 VanDerWaalsContact C-N 3.31Å; E465-L469 WeakPolarHBondContact O-CG 3.44Å |
| 466 | E | 54.5 | Low | 66.9 | Low | 80 Ų | 80 | 108.3 Ų | 108.3 | 37% | 0.374 | 54% | 0.539 | S | S | . | . | H | α-helix | trans | -72.3 | -23.9 | 174.8 | -61.2 | -136.4 | 123.4 | 0 | 0 | 113.4 | S462 E468 L469 L474 R477 | S462-E466 WeakPolarHBondContact O-CG 3.29Å; S462-E466 PolarHBondContact O-N 3.01Å; E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 3.21Å; E466-L469 HydrophobicContact CB-CD1 4.29Å; E466-L469 HydrophobicContact CG-CD1 4.25Å; E466-L469 PolarHBondContact O-N 3.3Å; E466-L474 HydrophobicContact CB-CD2 4.18Å; E466-R477 WeakPolarHBondContact OE1-CD 3.41Å; E466-R477 IonicContact OE1-CZ 3.92Å; E466-R477 IonicContact OE1-NH1 2.95Å; E466-R477 PolarHBondContact OE1-NH1 3.27Å |
| 467 | Q | 55.5 | Low | 69.2 | Low | 159 Ų | 159 | 107.8 Ų | 107.8 | 74% | 0.743 | 52% | 0.521 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.6 | -28.9 | -176.5 | -163.9 | 71.8 | 89.3 | 0 | 0 | 113.6 | Q463 L464 E465 | Q463-Q467 PolarHBondContact O-N 3.05Å; L464-Q467 WeakPolarHBondContact O-CB 3.37Å; L464-Q467 PolarHBondContact O-N 2.84Å; E465-Q467 VanDerWaalsContact C-N 3.31Å |
| 468 | E | 74.2 | Confident | 71.3 | Confident | 185 Ų | 185 | 103.4 Ų | 103.4 | 86% | 0.864 | 52% | 0.515 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -97.9 | -3 | -178.4 | -60.2 | -164.7 | 155.3 | 0 | 0 | 114 | E466 | E466-E468 VanDerWaalsContact C-N 3.26Å; E466-E468 PolarHBondContact O-N 3.21Å |
| 469 | L | 82.6 | Confident | 73.5 | Confident | 46 Ų | 46 | 97.5 Ų | 97.5 | 24% | 0.241 | 49% | 0.488 | C | S | . | . | trans | -74.3 | 144.2 | -171.8 | -59.7 | -179 | 0 | 0 | 0 | 112.8 | E465 E466 R471 E473 L474 | E465-L469 WeakPolarHBondContact O-CG 3.44Å; E466-L469 HydrophobicContact CB-CD1 4.29Å; E466-L469 HydrophobicContact CG-CD1 4.25Å; E466-L469 PolarHBondContact O-N 3.3Å; L469-R471 PolarHBondContact O-N 2.96Å; L469-E473 HydrophobicContact CB-CB 4.28Å; L469-E473 HydrophobicContact CB-CG 4.18Å; L469-E473 HydrophobicContact CD1-CG 4.18Å; L469-E473 HydrophobicContact CD2-CG 4.22Å; L469-E473 HydrophobicContact CG-CG 4.42Å; L469-L474 HydrophobicContact CB-CD2 4Å; L469-L474 HydrophobicContact CB-CG 3.93Å; L469-L474 HydrophobicContact CD1-CD2 3.96Å | ||
| 470 | S | 87.7 | Confident | 75.8 | Confident | 65 Ų | 65 | 97.5 Ų | 97.5 | 46% | 0.455 | 50% | 0.495 | S | S | . | . | trans | -54 | 140.6 | 170.2 | 176.5 | 0 | 0 | 0 | 0 | 110.6 | D472 E473 L474 | S470-D472 PolarHBondContact O-N 2.89Å; S470-D472 PolarHBondContact OG-N 3.44Å; S470-E473 WeakPolarHBondContact O-CA 3.35Å; S470-E473 VanDerWaalsContact O-CB 3.28Å; S470-E473 WeakPolarHBondContact O-CB 3.32Å; S470-E473 PolarHBondContact O-N 3.04Å; S470-L474 PolarHBondContact O-N 3.2Å | ||
| 471 | R | 94.1 | Very high | 78.2 | Confident | 146 Ų | 146 | 94.7 Ų | 94.7 | 55% | 0.551 | 46% | 0.462 | S | S | * | . | H | α-helix | trans | -50.9 | -32.5 | 172.8 | -172 | -161.8 | 67.7 | -164.7 | -4.7 | 112.9 | L469 R475 | L469-R471 PolarHBondContact O-N 2.96Å; R471-R475 WeakPolarHBondContact O-CB 3.3Å; R471-R475 WeakPolarHBondContact O-CD 3.25Å; R471-R475 WeakPolarHBondContact O-CG 3.42Å; R471-R475 PolarHBondContact O-N 3.49Å |
| 472 | D | 94.7 | Very high | 80.6 | Confident | 14 Ų | 14 | 88.3 Ų | 88.3 | 8% | 0.075 | 45% | 0.45 | C | S | . | . | H | α-helix | trans | -78.3 | -23.6 | 177.1 | -78 | -18.6 | 0 | 0 | 0 | 113 | S470 A476 V485 I516 R519 | S470-D472 PolarHBondContact O-N 2.89Å; S470-D472 PolarHBondContact OG-N 3.44Å; D472-A476 WeakPolarHBondContact O-CB 3.41Å; D472-A476 PolarHBondContact O-N 3.47Å; D472-V485 VanDerWaalsContact C-CG2 3.43Å; D472-V485 HydrophobicContact CB-CG2 3.93Å; D472-I516 HydrophobicContact CB-CD1 4.38Å; D472-I516 HydrophobicContact CB-CG1 3.99Å; D472-I516 WeakPolarHBondContact O-CD1 3.45Å; D472-R519 IonicContact OD1-CZ 2.82Å; D472-R519 IonicContact OD1-NE 3.58Å; D472-R519 PolarHBondContact OD1-NE 3.03Å; D472-R519 IonicContact OD1-NH2 3.18Å; D472-R519 PolarHBondContact OD1-NH2 3.24Å; D472-R519 IonicContact OD2-CZ 3.37Å; D472-R519 IonicContact OD2-NE 3.75Å; D472-R519 PolarHBondContact OD2-NE 3.34Å; D472-R519 IonicContact OD2-NH2 2.72Å; D472-R519 PolarHBondContact OD2-NH2 2.81Å |
| 473 | E | 95.3 | Very high | 82.7 | Confident | 30 Ų | 30 | 87.9 Ų | 87.9 | 14% | 0.14 | 44% | 0.442 | C | S | . | . | H | α-helix | trans | -77.4 | -46.8 | 175.7 | -177.9 | 71.1 | -153.1 | 0 | 0 | 110.3 | L469 S470 R475 A476 R477 V485 | L469-E473 HydrophobicContact CB-CB 4.28Å; L469-E473 HydrophobicContact CB-CG 4.18Å; L469-E473 HydrophobicContact CD1-CG 4.18Å; L469-E473 HydrophobicContact CD2-CG 4.22Å; L469-E473 HydrophobicContact CG-CG 4.42Å; S470-E473 WeakPolarHBondContact O-CA 3.35Å; S470-E473 VanDerWaalsContact O-CB 3.28Å; S470-E473 WeakPolarHBondContact O-CB 3.32Å; S470-E473 PolarHBondContact O-N 3.04Å; E473-R475 PolarHBondContact O-N 2.96Å; E473-A476 WeakPolarHBondContact O-CB 3.27Å; E473-A476 PolarHBondContact O-N 3Å; E473-R477 WeakPolarHBondContact O-CG 3.48Å; E473-R477 PolarHBondContact O-N 3.32Å; E473-R477 IonicContact OE1-NE 3.76Å; E473-V485 HydrophobicContact CB-CG2 3.86Å; E473-V485 WeakPolarHBondContact OE2-CB 3.49Å; E473-V485 WeakPolarHBondContact OE2-CG2 3.26Å; E473-V485 PolarHBondContact OE2-N 3.13Å |
| 474 | L | 94.5 | Very high | 84.8 | Confident | 67 Ų | 67 | 82.9 Ų | 82.9 | 35% | 0.351 | 42% | 0.422 | S | S | . | . | H | α-helix | trans | -55.6 | -39.8 | 170.8 | -66.8 | 170.7 | 0 | 0 | 0 | 111.5 | E466 L469 S470 A478 | E466-L474 HydrophobicContact CB-CD2 4.18Å; L469-L474 HydrophobicContact CB-CD2 4Å; L469-L474 HydrophobicContact CB-CG 3.93Å; L469-L474 HydrophobicContact CD1-CD2 3.96Å; S470-L474 PolarHBondContact O-N 3.2Å; L474-A478 VanDerWaalsContact O-CB 3.25Å; L474-A478 WeakPolarHBondContact O-CB 3.39Å; L474-A478 PolarHBondContact O-N 3.39Å |
| 475 | R | 94.9 | Very high | 87 | Confident | 124 Ų | 124 | 77.7 Ų | 77.7 | 47% | 0.468 | 40% | 0.396 | S | S | . | . | H | α-helix | trans | -68.3 | -37.5 | 174.8 | -75.5 | 171.2 | 176.6 | -155.6 | -6.1 | 113.2 | R471 E473 M479 L512 | R471-R475 WeakPolarHBondContact O-CB 3.3Å; R471-R475 WeakPolarHBondContact O-CD 3.25Å; R471-R475 WeakPolarHBondContact O-CG 3.42Å; R471-R475 PolarHBondContact O-N 3.49Å; E473-R475 PolarHBondContact O-N 2.96Å; R475-M479 PolarHBondContact O-N 3.15Å; R475-M479 VanDerWaalsContact O-N 3.16Å; R475-L512 HydrophobicContact CB-CD1 4.36Å; R475-L512 HydrophobicContact CB-CD2 4.16Å |
| 476 | A | 95.1 | Very high | 88.9 | Confident | 1 Ų | 1 | 76.6 Ų | 76.6 | 1% | 0.008 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -64.7 | -46.5 | 175.5 | 0 | 0 | 0 | 0 | 0 | 111.2 | D472 E473 M479 C480 I481 I516 | D472-A476 WeakPolarHBondContact O-CB 3.41Å; D472-A476 PolarHBondContact O-N 3.47Å; E473-A476 WeakPolarHBondContact O-CB 3.27Å; E473-A476 PolarHBondContact O-N 3Å; A476-M479 CarbonylContact O-C 3.5Å; A476-M479 PolarHBondContact O-N 3.49Å; A476-C480 PolarHBondContact O-N 3.11Å; A476-I481 HydrophobicContact CB-CB 4.25Å; A476-I481 HydrophobicContact CB-CD1 4.46Å; A476-I481 WeakPolarHBondContact O-CB 3.28Å; A476-I481 PolarHBondContact O-N 3.26Å; A476-I516 HydrophobicContact CB-CD1 4.1Å |
| 477 | R | 94.2 | Very high | 91 | Very high | 109 Ų | 109 | 77.7 Ų | 77.7 | 41% | 0.411 | 40% | 0.399 | S | S | . | . | H | α-helix | trans | -60.2 | -46.2 | 174.5 | -69 | 179.5 | 176.7 | -152 | -1.3 | 112.5 | E466 E473 M479 C480 | E466-R477 WeakPolarHBondContact OE1-CD 3.41Å; E466-R477 IonicContact OE1-CZ 3.92Å; E466-R477 IonicContact OE1-NH1 2.95Å; E466-R477 PolarHBondContact OE1-NH1 3.27Å; E473-R477 WeakPolarHBondContact O-CG 3.48Å; E473-R477 PolarHBondContact O-N 3.32Å; E473-R477 IonicContact OE1-NE 3.76Å; R477-M479 PolarHBondContact O-N 3.31Å; R477-C480 WeakPolarHBondContact O-CA 3.46Å; R477-C480 PolarHBondContact O-N 3.06Å |
| 478 | A | 95.2 | Very high | 92.9 | Very high | 84 Ų | 84 | 70.2 Ų | 70.2 | 69% | 0.694 | 36% | 0.364 | S | S | * | . | H | α-helix | trans | -64.6 | -22 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114 | L474 | L474-A478 VanDerWaalsContact O-CB 3.25Å; L474-A478 WeakPolarHBondContact O-CB 3.39Å; L474-A478 PolarHBondContact O-N 3.39Å |
| 479 | M | 93.5 | Very high | 94 | Very high | 75 Ų | 75 | 61.8 Ų | 61.8 | 37% | 0.369 | 33% | 0.325 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -97.5 | 13.5 | 169.5 | -69.9 | -160 | 179.5 | 0 | 0 | 113.3 | R475 A476 R477 I481 D508 Q509 L512 | R475-M479 PolarHBondContact O-N 3.15Å; R475-M479 VanDerWaalsContact O-N 3.16Å; A476-M479 CarbonylContact O-C 3.5Å; A476-M479 PolarHBondContact O-N 3.49Å; R477-M479 PolarHBondContact O-N 3.31Å; M479-I481 HydrophobicContact CB-CD1 4.22Å; M479-I481 HydrophobicContact CB-CG1 4.07Å; M479-I481 PolarHBondContact O-N 3.09Å; M479-D508 HydrophobicContact CE-CB 4.48Å; M479-Q509 HydrophobicContact CB-CG 4.15Å; M479-Q509 PolarHBondContact O-NE2 3.22Å; M479-Q509 HydrophobicContact SD-CG 4.14Å; M479-L512 HydrophobicContact CB-CD2 4.24Å; M479-L512 HydrophobicContact CE-CD2 4.22Å; M479-L512 HydrophobicContact CG-CD2 3.93Å; M479-L512 HydrophobicContact SD-CB 4.12Å; M479-L512 HydrophobicContact SD-CD2 3.46Å; M479-L512 WeakPolarHBondContact SD-CD2 3.46Å; M479-L512 HydrophobicContact SD-CG 4.41Å |
| 480 | C | 93.4 | Very high | 94.7 | Very high | 108 Ų | 108 | 63.9 Ų | 63.9 | 73% | 0.73 | 34% | 0.337 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.8 | 36.3 | -178.8 | -56.3 | 0 | 0 | 0 | 0 | 114.1 | A476 R477 | A476-C480 PolarHBondContact O-N 3.11Å; R477-C480 WeakPolarHBondContact O-CA 3.46Å; R477-C480 PolarHBondContact O-N 3.06Å |
| 481 | I | 93.7 | Very high | 95.1 | Very high | 14 Ų | 14 | 61.5 Ų | 61.5 | 7% | 0.072 | 32% | 0.319 | C | S | . | . | trans | -74.6 | 124.7 | 178.6 | -65.4 | 178.6 | 0 | 0 | 0 | 109 | A476 M479 F483 I488 Q509 L512 L513 | A476-I481 HydrophobicContact CB-CB 4.25Å; A476-I481 HydrophobicContact CB-CD1 4.46Å; A476-I481 WeakPolarHBondContact O-CB 3.28Å; A476-I481 PolarHBondContact O-N 3.26Å; M479-I481 HydrophobicContact CB-CD1 4.22Å; M479-I481 HydrophobicContact CB-CG1 4.07Å; M479-I481 PolarHBondContact O-N 3.09Å; I481-F483 HydrophobicContact CG2-CB 4.24Å; I481-F483 HydrophobicContact CG2-CD2 4.19Å; I481-F483 PolarHBondContact O-N 3.2Å; I481-I488 HydrophobicContact CG2-CD1 4.27Å; I481-Q509 HydrophobicContact CG1-CG 4.39Å; I481-L512 HydrophobicContact CD1-CD2 3.84Å; I481-L512 HydrophobicContact CD1-CG 4.26Å; I481-L513 HydrophobicContact CD1-CD2 4.3Å; I481-L513 HydrophobicContact CD1-CG 4.11Å; I481-L513 HydrophobicContact CG2-CD2 3.75Å; I481-L513 HydrophobicContact CG2-CG 4.47Å | ||
| 482 | P | 93.2 | Very high | 95.3 | Very high | 86 Ų | 86 | 57.6 Ų | 57.6 | 56% | 0.558 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -79.2 | 26.1 | -175 | 34.4 | -37.3 | 0 | 0 | 0 | 113.8 | F505 | P482-F505 HydrophobicContact CG-CZ 4.25Š|
| 483 | F | 93.6 | Very high | 95.3 | Very high | 38 Ų | 38 | 60.9 Ų | 60.9 | 17% | 0.167 | 33% | 0.333 | C | S | . | . | S | Bend | trans | -141 | 132.7 | -177.5 | -55.6 | -73.5 | 0 | 0 | 0 | 110.1 | I481 I488 M491 V499 H503 F505 | I481-F483 HydrophobicContact CG2-CB 4.24Å; I481-F483 HydrophobicContact CG2-CD2 4.19Å; I481-F483 PolarHBondContact O-N 3.2Å; F483-I488 HydrophobicContact CB-CD1 4.1Å; F483-I488 HydrophobicContact CB-CG1 3.76Å; F483-I488 WeakPolarHBondContact O-CD1 3.39Å; F483-M491 HydrophobicContact CD1-CE 4.2Å; F483-M491 HydrophobicContact CE1-CE 4.18Å; F483-V499 HydrophobicContact CD2-CG1 4.21Å; F483-V499 HydrophobicContact CE2-CG1 3.39Å; F483-V499 HydrophobicContact CE2-CG2 4.45Å; F483-V499 HydrophobicContact CZ-CG1 3.72Å; F483-V499 HydrophobicContact CZ-CG2 3.92Å; F483-H503 AromaticContact CZ-NE2 3.84Å; F483-F505 HydrophobicContact CD2-CZ 4.3Å; F483-F505 HydrophobicContact CE2-CE2 4.31Å; F483-F505 AromaticContact CE2-CZ 3.94Å; F483-F505 HydrophobicContact CE2-CZ 3.94Å |
| 484 | S | 95.8 | Very high | 95.4 | Very high | 33 Ų | 33 | 65.2 Ų | 65.2 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | trans | -70.2 | 157.6 | 172 | 64.8 | 0 | 0 | 0 | 0 | 111.9 | L486 Q487 I488 | S484-L486 PolarHBondContact O-N 3.19Å; S484-Q487 PolarHBondContact O-N 3.43Å; S484-Q487 VanDerWaalsContact O-N 3.12Å; S484-Q487 WeakPolarHBondContact OG-CG 3.32Å; S484-Q487 PolarHBondContact OG-N 3.02Å; S484-Q487 PolarHBondContact OG-OE1 2.87Å; S484-I488 WeakPolarHBondContact O-CD1 3.48Å; S484-I488 VanDerWaalsContact O-CG1 3.29Å; S484-I488 WeakPolarHBondContact O-CG1 3.44Å; S484-I488 PolarHBondContact O-N 3.34Å | ||
| 485 | V | 96.7 | Very high | 95.5 | Very high | 24 Ų | 24 | 66.4 Ų | 66.4 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -54.1 | -38.8 | 173.4 | 169.4 | 0 | 0 | 0 | 0 | 111.4 | D472 E473 I488 V489 I516 | D472-V485 VanDerWaalsContact C-CG2 3.43Å; D472-V485 HydrophobicContact CB-CG2 3.93Å; E473-V485 HydrophobicContact CB-CG2 3.86Å; E473-V485 WeakPolarHBondContact OE2-CB 3.49Å; E473-V485 WeakPolarHBondContact OE2-CG2 3.26Å; E473-V485 PolarHBondContact OE2-N 3.13Å; V485-I488 PolarHBondContact O-N 3.19Å; V485-V489 HydrophobicContact CG1-CG2 4.16Å; V485-V489 VanDerWaalsContact O-CB 3.29Å; V485-V489 WeakPolarHBondContact O-CB 3.41Å; V485-V489 WeakPolarHBondContact O-CG2 3.42Å; V485-V489 PolarHBondContact O-N 3.3Å; V485-I516 HydrophobicContact CB-CG2 4.15Å; V485-I516 HydrophobicContact CG1-CG2 3.87Å; V485-I516 HydrophobicContact CG2-CD1 4.41Å; V485-I516 HydrophobicContact CG2-CG2 3.81Å |
| 486 | L | 95.6 | Very high | 95.5 | Very high | 121 Ų | 121 | 61 Ų | 61 | 63% | 0.634 | 34% | 0.337 | S | S | * | . | H | α-helix | trans | -65.5 | -42.1 | -179.7 | -172.4 | 63.2 | 0 | 0 | 0 | 111.5 | S484 N490 | S484-L486 PolarHBondContact O-N 3.19Å; L486-N490 WeakPolarHBondContact CD1-ND2 3.48Å; L486-N490 VanDerWaalsContact O-CB 3.28Å; L486-N490 WeakPolarHBondContact O-CB 3.31Å; L486-N490 PolarHBondContact O-N 2.98Å |
| 487 | Q | 96.9 | Very high | 95.6 | Very high | 103 Ų | 103 | 64.8 Ų | 64.8 | 48% | 0.481 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -63.9 | -53.2 | 173.2 | -72.3 | 159.6 | -50.5 | 0 | 0 | 110.7 | S484 V489 N490 M491 | S484-Q487 PolarHBondContact O-N 3.43Å; S484-Q487 VanDerWaalsContact O-N 3.12Å; S484-Q487 WeakPolarHBondContact OG-CG 3.32Å; S484-Q487 PolarHBondContact OG-N 3.02Å; S484-Q487 PolarHBondContact OG-OE1 2.87Å; Q487-V489 PolarHBondContact O-N 2.88Å; Q487-V489 VanDerWaalsContact O-N 3.09Å; Q487-N490 PolarHBondContact O-N 2.98Å; Q487-M491 WeakPolarHBondContact O-CB 3.44Å; Q487-M491 PolarHBondContact O-N 3.31Å |
| 488 | I | 96.5 | Very high | 95.6 | Very high | 1 Ų | 1 | 66 Ų | 66 | 1% | 0.005 | 37% | 0.366 | C | S | . | . | H | α-helix | trans | -52.5 | -36.7 | 179.3 | -67.3 | 160.5 | 0 | 0 | 0 | 112 | I481 F483 S484 V485 F496 L513 I516 R517 | I481-I488 HydrophobicContact CG2-CD1 4.27Å; F483-I488 HydrophobicContact CB-CD1 4.1Å; F483-I488 HydrophobicContact CB-CG1 3.76Å; F483-I488 WeakPolarHBondContact O-CD1 3.39Å; S484-I488 WeakPolarHBondContact O-CD1 3.48Å; S484-I488 VanDerWaalsContact O-CG1 3.29Å; S484-I488 WeakPolarHBondContact O-CG1 3.44Å; S484-I488 PolarHBondContact O-N 3.34Å; V485-I488 PolarHBondContact O-N 3.19Å; I488-F496 HydrophobicContact CG2-CE2 4.18Å; I488-L513 HydrophobicContact CD1-CD2 3.64Å; I488-L513 HydrophobicContact CG1-CD2 3.76Å; I488-L513 HydrophobicContact CG2-CD2 4.34Å; I488-I516 HydrophobicContact CB-CG2 4.16Å; I488-I516 HydrophobicContact CD1-CD1 4.41Å; I488-I516 HydrophobicContact CD1-CG2 4.26Å; I488-I516 HydrophobicContact CG2-CB 4.11Å; I488-I516 HydrophobicContact CG2-CG2 3.7Å; I488-R517 HydrophobicContact CG2-CB 3.86Å; I488-R517 WeakPolarHBondContact O-CG 3.39Å; I488-R517 PolarHBondContact O-NH1 3.41Å |
| 489 | V | 97.3 | Very high | 95.5 | Very high | 8 Ų | 8 | 62.6 Ų | 62.6 | 5% | 0.048 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -82.4 | -33.3 | -179.7 | 172.9 | 0 | 0 | 0 | 0 | 112.8 | V485 Q487 I516 K521 L524 | V485-V489 HydrophobicContact CG1-CG2 4.16Å; V485-V489 VanDerWaalsContact O-CB 3.29Å; V485-V489 WeakPolarHBondContact O-CB 3.41Å; V485-V489 WeakPolarHBondContact O-CG2 3.42Å; V485-V489 PolarHBondContact O-N 3.3Å; Q487-V489 PolarHBondContact O-N 2.88Å; Q487-V489 VanDerWaalsContact O-N 3.09Å; V489-I516 HydrophobicContact CG2-CG2 4.42Å; V489-K521 HydrophobicContact CG1-CD 4.47Å; V489-K521 WeakPolarHBondContact O-CD 3.44Å; V489-K521 WeakPolarHBondContact O-CE 3.43Å; V489-K521 PolarHBondContact O-NZ 2.95Å; V489-L524 HydrophobicContact CG1-CD1 3.76Å |
| 490 | N | 97.4 | Very high | 95.4 | Very high | 91 Ų | 91 | 59.6 Ų | 59.6 | 49% | 0.487 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -93.8 | -28.7 | -174.5 | -71 | -14.2 | 0 | 0 | 0 | 114.6 | L486 Q487 | L486-N490 WeakPolarHBondContact CD1-ND2 3.48Å; L486-N490 VanDerWaalsContact O-CB 3.28Å; L486-N490 WeakPolarHBondContact O-CB 3.31Å; L486-N490 PolarHBondContact O-N 2.98Å; Q487-N490 PolarHBondContact O-N 2.98Å |
| 491 | M | 96.7 | Very high | 95.2 | Very high | 14 Ų | 14 | 60.2 Ų | 60.2 | 7% | 0.069 | 32% | 0.318 | C | S | . | . | S | Bend | trans | -42.7 | 140.6 | 176.4 | -178.7 | -178.3 | -82.1 | 0 | 0 | 112.5 | F483 Q487 E495 F496 V499 R517 | F483-M491 HydrophobicContact CD1-CE 4.2Å; F483-M491 HydrophobicContact CE1-CE 4.18Å; Q487-M491 WeakPolarHBondContact O-CB 3.44Å; Q487-M491 PolarHBondContact O-N 3.31Å; M491-E495 HydrophobicContact CE-CG 4.36Å; M491-E495 WeakPolarHBondContact CE-OE1 3.15Å; M491-E495 HydrophobicContact CG-CB 3.85Å; M491-E495 HydrophobicContact CG-CG 3.8Å; M491-E495 HydrophobicContact SD-CG 4.19Å; M491-F496 HydrophobicContact CG-CB 4.04Å; M491-F496 VanDerWaalsContact SD-CA 3.5Å; M491-F496 HydrophobicContact SD-CB 3.73Å; M491-F496 HydrophobicContact SD-CD2 3.86Å; M491-F496 HydrophobicContact SD-CG 4.31Å; M491-V499 HydrophobicContact CE-CG2 4.14Å; M491-V499 HydrophobicContact SD-CG2 4.27Å; M491-R517 VanDerWaalsContact O-CZ 3.27Å; M491-R517 PolarHBondContact O-NH1 2.96Å; M491-R517 PolarHBondContact O-NH2 2.98Å |
| 492 | P | 96.8 | Very high | 94.5 | Very high | 65 Ų | 65 | 63.7 Ų | 63.7 | 42% | 0.422 | 34% | 0.343 | S | S | . | . | trans | -48.8 | 165.7 | 169.2 | -27.2 | 35.3 | 0 | 0 | 0 | 113.3 | E495 F496 R517 | P492-E495 HydrophobicContact CB-CB 4.12Å; P492-E495 WeakPolarHBondContact CD-OE2 3.38Å; P492-E495 HydrophobicContact CG-CB 4.26Å; P492-F496 WeakPolarHBondContact O-CB 3.42Å; P492-F496 PolarHBondContact O-N 2.92Å; P492-R517 VanDerWaalsContact C-NH2 3.3Å; P492-R517 PolarHBondContact O-NH2 3.33Å | ||
| 493 | V | 96.2 | Very high | 93.4 | Very high | 82 Ų | 82 | 63.4 Ų | 63.4 | 50% | 0.497 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -80.7 | -30.3 | 178.3 | 64.9 | 0 | 0 | 0 | 0 | 111.4 | M497 | V493-M497 WeakPolarHBondContact O-CB 3.47Å; V493-M497 VanDerWaalsContact O-CG 3.27Å; V493-M497 WeakPolarHBondContact O-CG 3.47Å; V493-M497 PolarHBondContact O-N 3.45Å |
| 494 | E | 96.6 | Very high | 92.8 | Very high | 121 Ų | 121 | 67.8 Ų | 67.8 | 57% | 0.565 | 37% | 0.37 | S | S | * | . | H | α-helix | trans | -62.3 | -64 | 174.1 | -59.4 | 68.8 | -154.5 | 0 | 0 | 109.7 | F496 M497 E498 | E494-F496 PolarHBondContact O-N 3.09Å; E494-M497 PolarHBondContact O-N 2.96Å; E494-E498 PolarHBondContact O-N 3.43Å |
| 495 | E | 95.9 | Very high | 92.6 | Very high | 92 Ų | 92 | 67.9 Ų | 67.9 | 43% | 0.43 | 37% | 0.366 | S | S | . | . | H | α-helix | trans | -54 | -39 | 175.8 | -171.7 | -171.4 | 150 | 0 | 0 | 112.2 | M491 P492 E498 V499 | M491-E495 HydrophobicContact CE-CG 4.36Å; M491-E495 WeakPolarHBondContact CE-OE1 3.15Å; M491-E495 HydrophobicContact CG-CB 3.85Å; M491-E495 HydrophobicContact CG-CG 3.8Å; M491-E495 HydrophobicContact SD-CG 4.19Å; P492-E495 HydrophobicContact CB-CB 4.12Å; P492-E495 WeakPolarHBondContact CD-OE2 3.38Å; P492-E495 HydrophobicContact CG-CB 4.26Å; E495-E498 PolarHBondContact O-N 2.97Å; E495-V499 WeakPolarHBondContact O-CB 3.48Å; E495-V499 VanDerWaalsContact O-CG2 3.27Å; E495-V499 WeakPolarHBondContact O-CG2 3.17Å; E495-V499 PolarHBondContact O-N 2.82Å |
| 496 | F | 96.2 | Very high | 92.5 | Very high | 12 Ų | 12 | 69.5 Ų | 69.5 | 5% | 0.053 | 38% | 0.378 | C | S | . | . | H | α-helix | trans | -69.2 | -35.8 | 177.5 | -178.7 | -100.2 | 0 | 0 | 0 | 113.3 | I488 M491 P492 E494 L500 L513 R514 R517 | I488-F496 HydrophobicContact CG2-CE2 4.18Å; M491-F496 HydrophobicContact CG-CB 4.04Å; M491-F496 VanDerWaalsContact SD-CA 3.5Å; M491-F496 HydrophobicContact SD-CB 3.73Å; M491-F496 HydrophobicContact SD-CD2 3.86Å; M491-F496 HydrophobicContact SD-CG 4.31Å; P492-F496 WeakPolarHBondContact O-CB 3.42Å; P492-F496 PolarHBondContact O-N 2.92Å; E494-F496 PolarHBondContact O-N 3.09Å; F496-L500 HydrophobicContact CD1-CD1 4.17Å; F496-L500 HydrophobicContact CE1-CD1 3.52Å; F496-L500 HydrophobicContact CE1-CG 4.09Å; F496-L500 HydrophobicContact CZ-CD1 3.86Å; F496-L500 HydrophobicContact CZ-CD2 4.31Å; F496-L500 HydrophobicContact CZ-CG 4.13Å; F496-L500 WeakPolarHBondContact O-CG 3.24Å; F496-L500 PolarHBondContact O-N 2.97Å; F496-L500 VanDerWaalsContact O-N 3.13Å; F496-L513 HydrophobicContact CE2-CB 4.24Å; F496-L513 HydrophobicContact CZ-CB 4.19Å; F496-R514 HydrophobicContact CE1-CG 4.29Å; F496-R514 HydrophobicContact CZ-CG 4.29Å; F496-R517 VanDerWaalsContact CD1-CD 3.43Å; F496-R517 HydrophobicContact CE2-CB 4.4Å; F496-R517 HydrophobicContact CZ-CB 4.22Å; F496-R517 VanDerWaalsContact CZ-CD 3.45Å |
| 497 | M | 95.4 | Very high | 92.4 | Very high | 80 Ų | 80 | 67.1 Ų | 67.1 | 39% | 0.394 | 38% | 0.376 | S | S | . | . | H | α-helix | trans | -70.5 | -43.5 | 173.3 | -73.7 | -60.7 | -54.9 | 0 | 0 | 110.8 | V493 E494 V499 L500 D501 | V493-M497 WeakPolarHBondContact O-CB 3.47Å; V493-M497 VanDerWaalsContact O-CG 3.27Å; V493-M497 WeakPolarHBondContact O-CG 3.47Å; V493-M497 PolarHBondContact O-N 3.45Å; E494-M497 PolarHBondContact O-N 2.96Å; M497-V499 VanDerWaalsContact C-N 3.32Å; M497-V499 PolarHBondContact O-N 2.85Å; M497-L500 PolarHBondContact O-N 3.41Å; M497-D501 WeakPolarHBondContact O-CB 3.42Å; M497-D501 PolarHBondContact O-N 2.76Å |
| 498 | E | 94.4 | Very high | 92.3 | Very high | 134 Ų | 134 | 67.4 Ų | 67.4 | 63% | 0.626 | 38% | 0.381 | S | S | * | . | H | α-helix | trans | -57.1 | -43.8 | 173.5 | -71.7 | 175.6 | -166 | 0 | 0 | 111.6 | E494 E495 L500 D501 S502 | E494-E498 PolarHBondContact O-N 3.43Å; E495-E498 PolarHBondContact O-N 2.97Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.33Å; E498-D501 PolarHBondContact O-N 3.04Å; E498-S502 WeakPolarHBondContact O-CB 3.37Å; E498-S502 PolarHBondContact O-N 3.19Å; E498-S502 PolarHBondContact O-OG 3.34Å |
| 499 | V | 93.1 | Very high | 92.2 | Very high | 13 Ų | 13 | 69.3 Ų | 69.3 | 8% | 0.079 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -61.8 | -38.5 | 174.5 | 163.6 | 0 | 0 | 0 | 0 | 112.2 | F483 M491 E495 M497 H503 F505 | F483-V499 HydrophobicContact CD2-CG1 4.21Å; F483-V499 HydrophobicContact CE2-CG1 3.39Å; F483-V499 HydrophobicContact CE2-CG2 4.45Å; F483-V499 HydrophobicContact CZ-CG1 3.72Å; F483-V499 HydrophobicContact CZ-CG2 3.92Å; M491-V499 HydrophobicContact CE-CG2 4.14Å; M491-V499 HydrophobicContact SD-CG2 4.27Å; E495-V499 WeakPolarHBondContact O-CB 3.48Å; E495-V499 VanDerWaalsContact O-CG2 3.27Å; E495-V499 WeakPolarHBondContact O-CG2 3.17Å; E495-V499 PolarHBondContact O-N 2.82Å; M497-V499 VanDerWaalsContact C-N 3.32Å; M497-V499 PolarHBondContact O-N 2.85Å; V499-H503 WeakPolarHBondContact O-CB 3.38Å; V499-H503 PolarHBondContact O-N 3.04Å; V499-H503 PolarHBondContact O-ND1 3.08Å; V499-F505 HydrophobicContact CG1-CE2 4.01Å |
| 500 | L | 92.6 | Very high | 92.2 | Very high | 11 Ų | 11 | 70 Ų | 70 | 6% | 0.058 | 39% | 0.394 | C | S | . | . | H | α-helix | trans | -72 | -31.3 | 176.9 | -72.5 | -173.4 | 0 | 0 | 0 | 113.8 | F496 M497 E498 V510 L513 R514 | F496-L500 HydrophobicContact CD1-CD1 4.17Å; F496-L500 HydrophobicContact CE1-CD1 3.52Å; F496-L500 HydrophobicContact CE1-CG 4.09Å; F496-L500 HydrophobicContact CZ-CD1 3.86Å; F496-L500 HydrophobicContact CZ-CD2 4.31Å; F496-L500 HydrophobicContact CZ-CG 4.13Å; F496-L500 WeakPolarHBondContact O-CG 3.24Å; F496-L500 PolarHBondContact O-N 2.97Å; F496-L500 VanDerWaalsContact O-N 3.13Å; M497-L500 PolarHBondContact O-N 3.41Å; E498-L500 VanDerWaalsContact C-N 3.34Å; E498-L500 PolarHBondContact O-N 3.33Å; L500-V510 HydrophobicContact CD1-CG1 4.46Å; L500-V510 HydrophobicContact CD2-CB 4.42Å; L500-V510 HydrophobicContact CD2-CG1 4.13Å; L500-V510 HydrophobicContact CD2-CG2 4.28Å; L500-L513 HydrophobicContact CD2-CB 4Å; L500-L513 HydrophobicContact CD2-CD1 3.59Å; L500-L513 HydrophobicContact CD2-CG 4.43Å; L500-R514 HydrophobicContact CD1-CG 3.89Å |
| 501 | D | 89.1 | Confident | 92.1 | Very high | 122 Ų | 122 | 69.7 Ų | 69.7 | 65% | 0.652 | 40% | 0.396 | S | S | * | . | H | α-helix | trans | -95.4 | -23.8 | -174.3 | -65.7 | -19.1 | 0 | 0 | 0 | 112.9 | M497 E498 | M497-D501 WeakPolarHBondContact O-CB 3.42Å; M497-D501 PolarHBondContact O-N 2.76Å; E498-D501 PolarHBondContact O-N 3.04Å |
| 502 | S | 79 | Confident | 92.1 | Very high | 87 Ų | 87 | 69.9 Ų | 69.9 | 61% | 0.608 | 40% | 0.397 | S | S | * | . | H | α-helix | trans | -93.9 | -30.9 | -179.3 | 63.9 | 0 | 0 | 0 | 0 | 114.7 | E498 | E498-S502 WeakPolarHBondContact O-CB 3.37Å; E498-S502 PolarHBondContact O-N 3.19Å; E498-S502 PolarHBondContact O-OG 3.34Å |
| 503 | H | 69.3 | Low | 92.1 | Very high | 80 Ų | 80 | 66.9 Ų | 66.9 | 37% | 0.37 | 38% | 0.377 | S | S | . | . | S | Bend | trans | -90.4 | 139.2 | -178.1 | -67.8 | 51.8 | 0 | 0 | 0 | 110.2 | F483 V499 F505 | F483-H503 AromaticContact CZ-NE2 3.84Å; V499-H503 WeakPolarHBondContact O-CB 3.38Å; V499-H503 PolarHBondContact O-N 3.04Å; V499-H503 PolarHBondContact O-ND1 3.08Å; H503-F505 HydrophobicContact CB-CD2 3.56Å; H503-F505 HydrophobicContact CB-CE2 3.39Å; H503-F505 HydrophobicContact CB-CG 4.34Å; H503-F505 HydrophobicContact CB-CZ 4.06Å; H503-F505 AromaticContact CG-CE2 3.92Å; H503-F505 PolarHBondContact O-N 3.03Å |
| 504 | S | 81.8 | Confident | 92.1 | Very high | 130 Ų | 130 | 68.9 Ų | 68.9 | 91% | 0.909 | 38% | 0.376 | S | S | * | . | trans | -76.3 | 55.3 | -179.4 | 62.5 | 0 | 0 | 0 | 0 | 113 | ||||
| 505 | F | 91.8 | Very high | 92.1 | Very high | 35 Ų | 35 | 65.5 Ų | 65.5 | 15% | 0.154 | 36% | 0.361 | C | S | . | . | trans | -74.3 | 143.1 | 176.8 | -72.2 | -57.5 | 0 | 0 | 0 | 111.9 | P482 F483 V499 H503 Q509 V510 L513 | P482-F505 HydrophobicContact CG-CZ 4.25Å; F483-F505 HydrophobicContact CD2-CZ 4.3Å; F483-F505 HydrophobicContact CE2-CE2 4.31Å; F483-F505 AromaticContact CE2-CZ 3.94Å; F483-F505 HydrophobicContact CE2-CZ 3.94Å; V499-F505 HydrophobicContact CG1-CE2 4.01Å; H503-F505 HydrophobicContact CB-CD2 3.56Å; H503-F505 HydrophobicContact CB-CE2 3.39Å; H503-F505 HydrophobicContact CB-CG 4.34Å; H503-F505 HydrophobicContact CB-CZ 4.06Å; H503-F505 AromaticContact CG-CE2 3.92Å; H503-F505 PolarHBondContact O-N 3.03Å; F505-Q509 HydrophobicContact CB-CB 4.02Å; F505-Q509 HydrophobicContact CD1-CB 3.98Å; F505-Q509 HydrophobicContact CD1-CG 4.46Å; F505-Q509 HydrophobicContact CG-CB 4.3Å; F505-V510 HydrophobicContact CB-CG2 3.7Å; F505-L513 HydrophobicContact CD2-CD1 3.8Å; F505-L513 HydrophobicContact CE1-CD1 4.45Å; F505-L513 HydrophobicContact CE2-CD1 3.7Å; F505-L513 HydrophobicContact CG-CD1 4.22Å; F505-L513 HydrophobicContact CZ-CD1 4.05Å | ||
| 506 | S | 93.3 | Very high | 92.2 | Very high | 57 Ų | 57 | 61.1 Ų | 61.1 | 40% | 0.399 | 34% | 0.341 | S | S | . | . | trans | -61.5 | 152.8 | 165.1 | 179 | 0 | 0 | 0 | 0 | 110.9 | D508 Q509 V510 | S506-D508 PolarHBondContact O-N 3.35Å; S506-D508 VanDerWaalsContact O-N 3.14Å; S506-D508 PolarHBondContact OG-N 2.99Å; S506-Q509 WeakPolarHBondContact O-CB 3.48Å; S506-Q509 PolarHBondContact O-N 3.23Å; S506-V510 WeakPolarHBondContact O-CG2 3.43Å; S506-V510 PolarHBondContact O-N 3.19Å | ||
| 507 | A | 93.4 | Very high | 92.3 | Very high | 72 Ų | 72 | 61.8 Ų | 61.8 | 60% | 0.595 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -53.8 | -32.9 | 173.3 | 0 | 0 | 0 | 0 | 0 | 112.7 | T511 | A507-T511 VanDerWaalsContact O-CB 3.31Å; A507-T511 WeakPolarHBondContact O-CB 3.35Å; A507-T511 PolarHBondContact O-N 3.4Å; A507-T511 PolarHBondContact O-OG1 3.43Å |
| 508 | D | 95.1 | Very high | 92.4 | Very high | 109 Ų | 109 | 65.3 Ų | 65.3 | 58% | 0.583 | 35% | 0.352 | S | S | * | . | H | α-helix | trans | -70.7 | -39.2 | 176.2 | -58.2 | -45.5 | 0 | 0 | 0 | 112.3 | M479 S506 T511 L512 | M479-D508 HydrophobicContact CE-CB 4.48Å; S506-D508 PolarHBondContact O-N 3.35Å; S506-D508 VanDerWaalsContact O-N 3.14Å; S506-D508 PolarHBondContact OG-N 2.99Å; D508-T511 PolarHBondContact O-N 3.11Å; D508-L512 WeakPolarHBondContact O-CB 3.37Å; D508-L512 PolarHBondContact O-N 2.78Å |
| 509 | Q | 95.8 | Very high | 92.5 | Very high | 41 Ų | 41 | 61.8 Ų | 61.8 | 19% | 0.192 | 33% | 0.333 | C | S | . | . | H | α-helix | trans | -67.7 | -44.2 | 174.6 | -74.5 | 167 | -42.9 | 0 | 0 | 111.1 | M479 I481 F505 S506 T511 L512 L513 | M479-Q509 HydrophobicContact CB-CG 4.15Å; M479-Q509 PolarHBondContact O-NE2 3.22Å; M479-Q509 HydrophobicContact SD-CG 4.14Å; I481-Q509 HydrophobicContact CG1-CG 4.39Å; F505-Q509 HydrophobicContact CB-CB 4.02Å; F505-Q509 HydrophobicContact CD1-CB 3.98Å; F505-Q509 HydrophobicContact CD1-CG 4.46Å; F505-Q509 HydrophobicContact CG-CB 4.3Å; S506-Q509 WeakPolarHBondContact O-CB 3.48Å; S506-Q509 PolarHBondContact O-N 3.23Å; Q509-T511 VanDerWaalsContact C-N 3.29Å; Q509-T511 PolarHBondContact O-N 2.9Å; Q509-L512 PolarHBondContact O-N 3.01Å; Q509-L513 WeakPolarHBondContact O-CB 3.18Å; Q509-L513 WeakPolarHBondContact O-CG 3.25Å; Q509-L513 PolarHBondContact O-N 3.12Å |
| 510 | V | 95.6 | Very high | 92.7 | Very high | 21 Ų | 21 | 61.8 Ų | 61.8 | 13% | 0.127 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -59 | -41.7 | 173.4 | 170.9 | 0 | 0 | 0 | 0 | 111 | L500 F505 S506 R514 | L500-V510 HydrophobicContact CD1-CG1 4.46Å; L500-V510 HydrophobicContact CD2-CB 4.42Å; L500-V510 HydrophobicContact CD2-CG1 4.13Å; L500-V510 HydrophobicContact CD2-CG2 4.28Å; F505-V510 HydrophobicContact CB-CG2 3.7Å; S506-V510 WeakPolarHBondContact O-CG2 3.43Å; S506-V510 PolarHBondContact O-N 3.19Å; V510-R514 VanDerWaalsContact O-CG 3.31Å; V510-R514 WeakPolarHBondContact O-CG 3.36Å; V510-R514 PolarHBondContact O-N 3.44Å; V510-R514 VanDerWaalsContact O-N 3.15Å |
| 511 | T | 95.9 | Very high | 93 | Very high | 86 Ų | 86 | 65.6 Ų | 65.6 | 53% | 0.528 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -63.7 | -49.4 | 175.4 | -60.5 | 0 | 0 | 0 | 0 | 110.5 | A507 D508 Q509 L513 R514 D515 | A507-T511 VanDerWaalsContact O-CB 3.31Å; A507-T511 WeakPolarHBondContact O-CB 3.35Å; A507-T511 PolarHBondContact O-N 3.4Å; A507-T511 PolarHBondContact O-OG1 3.43Å; D508-T511 PolarHBondContact O-N 3.11Å; Q509-T511 VanDerWaalsContact C-N 3.29Å; Q509-T511 PolarHBondContact O-N 2.9Å; T511-L513 PolarHBondContact O-N 2.9Å; T511-R514 PolarHBondContact O-N 3.31Å; T511-D515 WeakPolarHBondContact O-CB 3.28Å; T511-D515 PolarHBondContact O-N 3.42Å |
| 512 | L | 96.3 | Very high | 93.4 | Very high | 18 Ų | 18 | 65.2 Ų | 65.2 | 9% | 0.094 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -59.7 | -46.2 | 178 | -179.3 | 60.5 | 0 | 0 | 0 | 112.1 | R475 M479 I481 D508 Q509 R514 D515 I516 | R475-L512 HydrophobicContact CB-CD1 4.36Å; R475-L512 HydrophobicContact CB-CD2 4.16Å; M479-L512 HydrophobicContact CB-CD2 4.24Å; M479-L512 HydrophobicContact CE-CD2 4.22Å; M479-L512 HydrophobicContact CG-CD2 3.93Å; M479-L512 HydrophobicContact SD-CB 4.12Å; M479-L512 HydrophobicContact SD-CD2 3.46Å; M479-L512 WeakPolarHBondContact SD-CD2 3.46Å; M479-L512 HydrophobicContact SD-CG 4.41Å; I481-L512 HydrophobicContact CD1-CD2 3.84Å; I481-L512 HydrophobicContact CD1-CG 4.26Å; D508-L512 WeakPolarHBondContact O-CB 3.37Å; D508-L512 PolarHBondContact O-N 2.78Å; Q509-L512 PolarHBondContact O-N 3.01Å; L512-R514 PolarHBondContact O-N 3.24Å; L512-D515 PolarHBondContact O-N 3.41Å; L512-D515 VanDerWaalsContact O-N 3.11Å; L512-I516 HydrophobicContact CD1-CD1 3.83Å; L512-I516 HydrophobicContact CD1-CG1 3.86Å; L512-I516 HydrophobicContact CD2-CD1 4.3Å; L512-I516 HydrophobicContact CG-CD1 3.71Å; L512-I516 HydrophobicContact CG-CG1 4.17Å; L512-I516 WeakPolarHBondContact O-CB 3.39Å; L512-I516 VanDerWaalsContact O-CG1 3.26Å; L512-I516 WeakPolarHBondContact O-CG1 3.44Å; L512-I516 PolarHBondContact O-N 2.74Å |
| 513 | L | 96.6 | Very high | 94.2 | Very high | 1 Ų | 1 | 67.9 Ų | 67.9 | 1% | 0.005 | 35% | 0.35 | C | S | . | . | H | α-helix | trans | -54.8 | -50.9 | 176.8 | -79.8 | 167.6 | 0 | 0 | 0 | 111.9 | I481 I488 F496 L500 F505 Q509 T511 D515 R517 | I481-L513 HydrophobicContact CD1-CD2 4.3Å; I481-L513 HydrophobicContact CD1-CG 4.11Å; I481-L513 HydrophobicContact CG2-CD2 3.75Å; I481-L513 HydrophobicContact CG2-CG 4.47Å; I488-L513 HydrophobicContact CD1-CD2 3.64Å; I488-L513 HydrophobicContact CG1-CD2 3.76Å; I488-L513 HydrophobicContact CG2-CD2 4.34Å; F496-L513 HydrophobicContact CE2-CB 4.24Å; F496-L513 HydrophobicContact CZ-CB 4.19Å; L500-L513 HydrophobicContact CD2-CB 4Å; L500-L513 HydrophobicContact CD2-CD1 3.59Å; L500-L513 HydrophobicContact CD2-CG 4.43Å; F505-L513 HydrophobicContact CD2-CD1 3.8Å; F505-L513 HydrophobicContact CE1-CD1 4.45Å; F505-L513 HydrophobicContact CE2-CD1 3.7Å; F505-L513 HydrophobicContact CG-CD1 4.22Å; F505-L513 HydrophobicContact CZ-CD1 4.05Å; Q509-L513 WeakPolarHBondContact O-CB 3.18Å; Q509-L513 WeakPolarHBondContact O-CG 3.25Å; Q509-L513 PolarHBondContact O-N 3.12Å; T511-L513 PolarHBondContact O-N 2.9Å; L513-D515 VanDerWaalsContact C-N 3.28Å; L513-D515 PolarHBondContact O-N 3.37Å; L513-R517 WeakPolarHBondContact O-CB 3.23Å; L513-R517 PolarHBondContact O-N 3.19Å |
| 514 | R | 96.8 | Very high | 95.5 | Very high | 124 Ų | 124 | 67.2 Ų | 67.2 | 47% | 0.468 | 35% | 0.349 | S | S | . | . | H | α-helix | trans | -59.6 | -40.7 | 176.6 | -71.9 | 171 | 177.4 | 167.1 | 2.9 | 111.2 | F496 L500 V510 T511 L512 R518 | F496-R514 HydrophobicContact CE1-CG 4.29Å; F496-R514 HydrophobicContact CZ-CG 4.29Å; L500-R514 HydrophobicContact CD1-CG 3.89Å; V510-R514 VanDerWaalsContact O-CG 3.31Å; V510-R514 WeakPolarHBondContact O-CG 3.36Å; V510-R514 PolarHBondContact O-N 3.44Å; V510-R514 VanDerWaalsContact O-N 3.15Å; T511-R514 PolarHBondContact O-N 3.31Å; L512-R514 PolarHBondContact O-N 3.24Å; R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 2.9Å |
| 515 | D | 97.6 | Very high | 96.3 | Very high | 50 Ų | 50 | 63.8 Ų | 63.8 | 27% | 0.267 | 33% | 0.328 | S | S | . | . | H | α-helix | trans | -75.3 | -36.9 | -175.5 | -131.8 | 31.8 | 0 | 0 | 0 | 113.4 | T511 L512 L513 R518 R519 | T511-D515 WeakPolarHBondContact O-CB 3.28Å; T511-D515 PolarHBondContact O-N 3.42Å; L512-D515 PolarHBondContact O-N 3.41Å; L512-D515 VanDerWaalsContact O-N 3.11Å; L513-D515 VanDerWaalsContact C-N 3.28Å; L513-D515 PolarHBondContact O-N 3.37Å; D515-R518 IonicContact OD1-CZ 3.28Å; D515-R518 IonicContact OD1-NE 3.04Å; D515-R518 PolarHBondContact OD1-NE 3.32Å; D515-R518 IonicContact OD1-NH2 3.47Å; D515-R518 PolarHBondContact OD1-NH2 3.4Å; D515-R518 IonicContact OD2-NH2 2.8Å; D515-R519 WeakPolarHBondContact O-CB 3.43Å; D515-R519 WeakPolarHBondContact O-CG 3.43Å; D515-R519 PolarHBondContact O-N 3.04Å; D515-R519 IonicContact OD2-CZ 3.43Å; D515-R519 IonicContact OD2-NH1 3.53Å; D515-R519 PolarHBondContact OD2-NH1 3.15Å |
| 516 | I | 97.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 64 Ų | 64 | 1% | 0.005 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -60.4 | -52.8 | 169.8 | -70.3 | 176.9 | 0 | 0 | 0 | 109.7 | D472 A476 V485 I488 V489 L512 R518 R519 G520 | D472-I516 HydrophobicContact CB-CD1 4.38Å; D472-I516 HydrophobicContact CB-CG1 3.99Å; D472-I516 WeakPolarHBondContact O-CD1 3.45Å; A476-I516 HydrophobicContact CB-CD1 4.1Å; V485-I516 HydrophobicContact CB-CG2 4.15Å; V485-I516 HydrophobicContact CG1-CG2 3.87Å; V485-I516 HydrophobicContact CG2-CD1 4.41Å; V485-I516 HydrophobicContact CG2-CG2 3.81Å; I488-I516 HydrophobicContact CB-CG2 4.16Å; I488-I516 HydrophobicContact CD1-CD1 4.41Å; I488-I516 HydrophobicContact CD1-CG2 4.26Å; I488-I516 HydrophobicContact CG2-CB 4.11Å; I488-I516 HydrophobicContact CG2-CG2 3.7Å; V489-I516 HydrophobicContact CG2-CG2 4.42Å; L512-I516 HydrophobicContact CD1-CD1 3.83Å; L512-I516 HydrophobicContact CD1-CG1 3.86Å; L512-I516 HydrophobicContact CD2-CD1 4.3Å; L512-I516 HydrophobicContact CG-CD1 3.71Å; L512-I516 HydrophobicContact CG-CG1 4.17Å; L512-I516 WeakPolarHBondContact O-CB 3.39Å; L512-I516 VanDerWaalsContact O-CG1 3.26Å; L512-I516 WeakPolarHBondContact O-CG1 3.44Å; L512-I516 PolarHBondContact O-N 2.74Å; I516-R518 VanDerWaalsContact C-N 3.34Å; I516-R518 PolarHBondContact O-N 3.45Å; I516-R519 PolarHBondContact O-N 3.38Å; I516-G520 PolarHBondContact O-N 3.15Å |
| 517 | R | 97.8 | Very high | 96.9 | Very high | 26 Ų | 26 | 66.2 Ų | 66.2 | 10% | 0.098 | 34% | 0.341 | C | S | . | . | H | α-helix | trans | -57.2 | -47.1 | 178.6 | -174.6 | 171.3 | 177.2 | 86.4 | -10 | 111.5 | I488 M491 P492 F496 L513 G520 K521 | I488-R517 HydrophobicContact CG2-CB 3.86Å; I488-R517 WeakPolarHBondContact O-CG 3.39Å; I488-R517 PolarHBondContact O-NH1 3.41Å; M491-R517 VanDerWaalsContact O-CZ 3.27Å; M491-R517 PolarHBondContact O-NH1 2.96Å; M491-R517 PolarHBondContact O-NH2 2.98Å; P492-R517 VanDerWaalsContact C-NH2 3.3Å; P492-R517 PolarHBondContact O-NH2 3.33Å; F496-R517 VanDerWaalsContact CD1-CD 3.43Å; F496-R517 HydrophobicContact CE2-CB 4.4Å; F496-R517 HydrophobicContact CZ-CB 4.22Å; F496-R517 VanDerWaalsContact CZ-CD 3.45Å; L513-R517 WeakPolarHBondContact O-CB 3.23Å; L513-R517 PolarHBondContact O-N 3.19Å; R517-G520 PolarHBondContact O-N 3.29Å; R517-K521 HydrophobicContact CG-CG 4.46Å; R517-K521 WeakPolarHBondContact O-CB 3.3Å; R517-K521 WeakPolarHBondContact O-CG 3.31Å; R517-K521 PolarHBondContact O-N 3.01Å |
| 518 | R | 97.9 | Very high | 97.1 | Very high | 153 Ų | 153 | 67 Ų | 67 | 58% | 0.577 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -59.1 | -47.4 | 177.1 | -176.2 | 179.6 | 70.4 | 89 | -5.2 | 112.1 | R514 D515 I516 N522 | R514-R518 WeakPolarHBondContact O-CB 3.39Å; R514-R518 PolarHBondContact O-N 2.9Å; D515-R518 IonicContact OD1-CZ 3.28Å; D515-R518 IonicContact OD1-NE 3.04Å; D515-R518 PolarHBondContact OD1-NE 3.32Å; D515-R518 IonicContact OD1-NH2 3.47Å; D515-R518 PolarHBondContact OD1-NH2 3.4Å; D515-R518 IonicContact OD2-NH2 2.8Å; I516-R518 VanDerWaalsContact C-N 3.34Å; I516-R518 PolarHBondContact O-N 3.45Å; R518-N522 WeakPolarHBondContact O-CB 3.21Å; R518-N522 PolarHBondContact O-N 3.15Å |
| 519 | R | 97.7 | Very high | 97.3 | Very high | 61 Ų | 61 | 66 Ų | 66 | 23% | 0.23 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -64.4 | -44.8 | 177.1 | -78.2 | -168.3 | -70.3 | -82.9 | 2.7 | 112.3 | D472 D515 I516 N522 K523 | D472-R519 IonicContact OD1-CZ 2.82Å; D472-R519 IonicContact OD1-NE 3.58Å; D472-R519 PolarHBondContact OD1-NE 3.03Å; D472-R519 IonicContact OD1-NH2 3.18Å; D472-R519 PolarHBondContact OD1-NH2 3.24Å; D472-R519 IonicContact OD2-CZ 3.37Å; D472-R519 IonicContact OD2-NE 3.75Å; D472-R519 PolarHBondContact OD2-NE 3.34Å; D472-R519 IonicContact OD2-NH2 2.72Å; D472-R519 PolarHBondContact OD2-NH2 2.81Å; D515-R519 WeakPolarHBondContact O-CB 3.43Å; D515-R519 WeakPolarHBondContact O-CG 3.43Å; D515-R519 PolarHBondContact O-N 3.04Å; D515-R519 IonicContact OD2-CZ 3.43Å; D515-R519 IonicContact OD2-NH1 3.53Å; D515-R519 PolarHBondContact OD2-NH1 3.15Å; I516-R519 PolarHBondContact O-N 3.38Å; R519-N522 PolarHBondContact O-N 3.31Å; R519-K523 PolarHBondContact O-N 3.28Å |
| 520 | G | 97.1 | Very high | 97.4 | Very high | 12 Ų | 12 | 72.7 Ų | 72.7 | 12% | 0.124 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -66.5 | -45.5 | 179.4 | 0 | 0 | 0 | 0 | 0 | 113.4 | I516 R517 N522 K523 L524 | I516-G520 PolarHBondContact O-N 3.15Å; R517-G520 PolarHBondContact O-N 3.29Å; G520-N522 VanDerWaalsContact C-N 3.27Å; G520-N522 PolarHBondContact O-N 2.91Å; G520-K523 WeakPolarHBondContact O-CB 3.12Å; G520-K523 PolarHBondContact O-N 2.9Å; G520-L524 WeakPolarHBondContact O-CG 3.25Å; G520-L524 PolarHBondContact O-N 3.5Å |
| 521 | K | 97.3 | Very high | 97.6 | Very high | 92 Ų | 92 | 77.5 Ų | 77.5 | 40% | 0.4 | 38% | 0.378 | S | S | . | . | H | α-helix | trans | -60.4 | -36.9 | 173.2 | -67.1 | -63.2 | -160.9 | -161.5 | 0 | 111.4 | V489 R517 L524 A525 | V489-K521 HydrophobicContact CG1-CD 4.47Å; V489-K521 WeakPolarHBondContact O-CD 3.44Å; V489-K521 WeakPolarHBondContact O-CE 3.43Å; V489-K521 PolarHBondContact O-NZ 2.95Å; R517-K521 HydrophobicContact CG-CG 4.46Å; R517-K521 WeakPolarHBondContact O-CB 3.3Å; R517-K521 WeakPolarHBondContact O-CG 3.31Å; R517-K521 PolarHBondContact O-N 3.01Å; K521-L524 PolarHBondContact O-N 3.49Å; K521-A525 WeakPolarHBondContact O-CB 3.4Å; K521-A525 PolarHBondContact O-N 2.93Å |
| 522 | N | 98.1 | Very high | 97.7 | Very high | 114 Ų | 114 | 82.4 Ų | 82.4 | 61% | 0.61 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -66.4 | -43.3 | 173.9 | -174.3 | -84.3 | 0 | 0 | 0 | 112.6 | R518 R519 G520 L524 A525 A526 | R518-N522 WeakPolarHBondContact O-CB 3.21Å; R518-N522 PolarHBondContact O-N 3.15Å; R519-N522 PolarHBondContact O-N 3.31Å; G520-N522 VanDerWaalsContact C-N 3.27Å; G520-N522 PolarHBondContact O-N 2.91Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-L524 PolarHBondContact O-N 3.5Å; N522-A525 PolarHBondContact O-N 3.18Å; N522-A526 WeakPolarHBondContact O-CB 3.42Å; N522-A526 PolarHBondContact O-N 3.44Å |
| 523 | K | 96.9 | Very high | 97.8 | Very high | 143 Ų | 143 | 88.7 Ų | 88.7 | 62% | 0.622 | 41% | 0.414 | S | S | * | . | H | α-helix | trans | -56.6 | -46.9 | 173.7 | -175.6 | -178.8 | 178.5 | -177.4 | 0 | 111.4 | R519 G520 A526 Q527 | R519-K523 PolarHBondContact O-N 3.28Å; G520-K523 WeakPolarHBondContact O-CB 3.12Å; G520-K523 PolarHBondContact O-N 2.9Å; K523-A526 PolarHBondContact O-N 3.03Å; K523-Q527 WeakPolarHBondContact O-CG 3.46Å; K523-Q527 PolarHBondContact O-N 3.41Å |
| 524 | L | 96.9 | Very high | 97.9 | Very high | 65 Ų | 65 | 93.9 Ų | 93.9 | 34% | 0.34 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -64.6 | -40.5 | 175.9 | -67.9 | 172.3 | 0 | 0 | 0 | 112.2 | V489 G520 K521 N522 Q527 N528 | V489-L524 HydrophobicContact CG1-CD1 3.76Å; G520-L524 WeakPolarHBondContact O-CG 3.25Å; G520-L524 PolarHBondContact O-N 3.5Å; K521-L524 PolarHBondContact O-N 3.49Å; N522-L524 VanDerWaalsContact C-N 3.34Å; N522-L524 PolarHBondContact O-N 3.5Å; L524-Q527 PolarHBondContact O-N 2.91Å; L524-N528 WeakPolarHBondContact O-CB 3.38Å; L524-N528 PolarHBondContact O-N 2.85Å; L524-N528 PolarHBondContact O-ND2 2.79Å |
| 525 | A | 97.9 | Very high | 98 | Very high | 58 Ų | 58 | 92 Ų | 92 | 48% | 0.479 | 44% | 0.44 | S | S | . | . | H | α-helix | trans | -64.2 | -41.1 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.1 | K521 N522 N528 C529 | K521-A525 WeakPolarHBondContact O-CB 3.4Å; K521-A525 PolarHBondContact O-N 2.93Å; N522-A525 PolarHBondContact O-N 3.18Å; A525-N528 PolarHBondContact O-N 2.72Å; A525-C529 VanDerWaalsContact O-CB 3.25Å; A525-C529 WeakPolarHBondContact O-CB 3.23Å; A525-C529 PolarHBondContact O-N 2.71Å |
| 526 | A | 98.6 | Very high | 98.1 | Very high | 40 Ų | 40 | 92.1 Ų | 92.1 | 33% | 0.331 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.9 | -41.1 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112.1 | N522 K523 C529 R530 | N522-A526 WeakPolarHBondContact O-CB 3.42Å; N522-A526 PolarHBondContact O-N 3.44Å; K523-A526 PolarHBondContact O-N 3.03Å; A526-C529 PolarHBondContact O-N 2.86Å; A526-R530 WeakPolarHBondContact O-CB 3.22Å; A526-R530 VanDerWaalsContact O-CG 3.29Å; A526-R530 WeakPolarHBondContact O-CG 3.36Å; A526-R530 PolarHBondContact O-N 2.89Å |
| 527 | Q | 98.1 | Very high | 98.1 | Very high | 103 Ų | 103 | 95.7 Ų | 95.7 | 48% | 0.481 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.2 | -47.9 | 173.1 | -75.7 | 174.3 | -42.8 | 0 | 0 | 111.6 | K523 L524 C529 R530 K531 | K523-Q527 WeakPolarHBondContact O-CG 3.46Å; K523-Q527 PolarHBondContact O-N 3.41Å; L524-Q527 PolarHBondContact O-N 2.91Å; Q527-C529 VanDerWaalsContact C-N 3.34Å; Q527-C529 PolarHBondContact O-N 3.09Å; Q527-R530 PolarHBondContact O-N 3.27Å; Q527-K531 WeakPolarHBondContact O-CB 3.49Å; Q527-K531 PolarHBondContact O-N 3.24Å |
| 528 | N | 98.4 | Very high | 98.2 | Very high | 88 Ų | 88 | 97.6 Ų | 97.6 | 47% | 0.471 | 48% | 0.481 | S | S | . | . | H | α-helix | trans | -64.5 | -35.1 | 177.2 | -77.7 | -40.4 | 0 | 0 | 0 | 112.9 | L524 A525 R532 | L524-N528 WeakPolarHBondContact O-CB 3.38Å; L524-N528 PolarHBondContact O-N 2.85Å; L524-N528 PolarHBondContact O-ND2 2.79Å; A525-N528 PolarHBondContact O-N 2.72Å; N528-R532 WeakPolarHBondContact O-CB 3.35Å; N528-R532 VanDerWaalsContact O-CG 3.29Å; N528-R532 WeakPolarHBondContact O-CG 3.43Å; N528-R532 PolarHBondContact O-N 3.35Å |
| 529 | C | 98.7 | Very high | 98.2 | Very high | 88 Ų | 88 | 92 Ų | 92 | 60% | 0.595 | 47% | 0.471 | S | S | * | . | H | α-helix | trans | -66.7 | -44.1 | 174.2 | -173.9 | 0 | 0 | 0 | 0 | 111.7 | A525 A526 Q527 K533 | A525-C529 VanDerWaalsContact O-CB 3.25Å; A525-C529 WeakPolarHBondContact O-CB 3.23Å; A525-C529 PolarHBondContact O-N 2.71Å; A526-C529 PolarHBondContact O-N 2.86Å; Q527-C529 VanDerWaalsContact C-N 3.34Å; Q527-C529 PolarHBondContact O-N 3.09Å; C529-K533 WeakPolarHBondContact O-CB 3.29Å; C529-K533 PolarHBondContact O-N 2.97Å |
| 530 | R | 98.7 | Very high | 98.3 | Very high | 182 Ų | 182 | 94.6 Ų | 94.6 | 69% | 0.687 | 49% | 0.488 | S | S | * | . | H | α-helix | trans | -62.4 | -46.6 | 173.8 | -71.8 | 171.2 | -175.3 | -172.6 | 0.6 | 111.4 | A526 Q527 K533 L534 | A526-R530 WeakPolarHBondContact O-CB 3.22Å; A526-R530 VanDerWaalsContact O-CG 3.29Å; A526-R530 WeakPolarHBondContact O-CG 3.36Å; A526-R530 PolarHBondContact O-N 2.89Å; Q527-R530 PolarHBondContact O-N 3.27Å; R530-K533 PolarHBondContact O-N 3.02Å; R530-L534 WeakPolarHBondContact O-CG 3.21Å; R530-L534 PolarHBondContact O-N 3.16Å |
| 531 | K | 98.5 | Very high | 98.4 | Very high | 122 Ų | 122 | 98.9 Ų | 98.9 | 53% | 0.53 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -56.6 | -57.6 | 175.9 | 178.6 | 174.2 | 175.5 | 177.1 | 0 | 110.8 | Q527 K533 L534 D535 | Q527-K531 WeakPolarHBondContact O-CB 3.49Å; Q527-K531 PolarHBondContact O-N 3.24Å; K531-K533 PolarHBondContact O-N 3.06Å; K531-K533 VanDerWaalsContact O-N 3.12Å; K531-L534 CarbonylContact O-C 3.59Å; K531-L534 WeakPolarHBondContact O-CA 3.47Å; K531-L534 WeakPolarHBondContact O-CB 3.25Å; K531-L534 PolarHBondContact O-N 3.24Å; K531-D535 VanDerWaalsContact CE-OD1 3.23Å; K531-D535 WeakPolarHBondContact CE-OD1 3.49Å; K531-D535 WeakPolarHBondContact CE-OD2 3.45Å; K531-D535 WeakPolarHBondContact CG-OD1 3.47Å; K531-D535 WeakPolarHBondContact CG-OD2 3.48Å; K531-D535 PolarHBondContact O-N 3.46Å |
| 532 | R | 98.8 | Very high | 98.4 | Very high | 190 Ų | 190 | 100.3 Ų | 100.3 | 72% | 0.717 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -55.7 | -33.8 | 179.1 | -72.4 | 175.5 | -173.7 | 180 | 1.6 | 113.3 | N528 A536 | N528-R532 WeakPolarHBondContact O-CB 3.35Å; N528-R532 VanDerWaalsContact O-CG 3.29Å; N528-R532 WeakPolarHBondContact O-CG 3.43Å; N528-R532 PolarHBondContact O-N 3.35Å; R532-A536 WeakPolarHBondContact O-CB 3.44Å; R532-A536 PolarHBondContact O-N 2.97Å |
| 533 | K | 98.8 | Very high | 98.5 | Very high | 150 Ų | 150 | 98.6 Ų | 98.6 | 65% | 0.652 | 50% | 0.502 | S | S | * | . | H | α-helix | trans | -69.6 | -39.4 | 174.7 | -173.6 | 177.7 | 178.1 | -176 | 0 | 112.1 | C529 R530 K531 I537 | C529-K533 WeakPolarHBondContact O-CB 3.29Å; C529-K533 PolarHBondContact O-N 2.97Å; R530-K533 PolarHBondContact O-N 3.02Å; K531-K533 PolarHBondContact O-N 3.06Å; K531-K533 VanDerWaalsContact O-N 3.12Å; K533-I537 HydrophobicContact CG-CD1 4.11Å; K533-I537 WeakPolarHBondContact O-CD1 3.27Å; K533-I537 VanDerWaalsContact O-CG1 3.23Å; K533-I537 WeakPolarHBondContact O-CG1 3.34Å; K533-I537 PolarHBondContact O-N 3.22Å; K533-I537 VanDerWaalsContact O-N 3.08Å |
| 534 | L | 98.8 | Very high | 98.6 | Very high | 110 Ų | 110 | 95.3 Ų | 95.3 | 58% | 0.576 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -68.8 | -49.9 | 174.6 | -68.2 | 170.3 | 0 | 0 | 0 | 111 | R530 K531 A536 I537 T538 | R530-L534 WeakPolarHBondContact O-CG 3.21Å; R530-L534 PolarHBondContact O-N 3.16Å; K531-L534 CarbonylContact O-C 3.59Å; K531-L534 WeakPolarHBondContact O-CA 3.47Å; K531-L534 WeakPolarHBondContact O-CB 3.25Å; K531-L534 PolarHBondContact O-N 3.24Å; L534-A536 PolarHBondContact O-N 3.13Å; L534-I537 WeakPolarHBondContact O-CA 3.23Å; L534-I537 PolarHBondContact O-N 2.93Å; L534-T538 PolarHBondContact O-N 3.12Å; L534-T538 PolarHBondContact O-OG1 2.93Å |
| 535 | D | 98.7 | Very high | 98.6 | Very high | 83 Ų | 83 | 98 Ų | 98 | 44% | 0.444 | 50% | 0.504 | S | S | . | . | H | α-helix | trans | -50.7 | -43.5 | 175.2 | -57.2 | -15.5 | 0 | 0 | 0 | 111 | K531 G539 | K531-D535 VanDerWaalsContact CE-OD1 3.23Å; K531-D535 WeakPolarHBondContact CE-OD1 3.49Å; K531-D535 WeakPolarHBondContact CE-OD2 3.45Å; K531-D535 WeakPolarHBondContact CG-OD1 3.47Å; K531-D535 WeakPolarHBondContact CG-OD2 3.48Å; K531-D535 PolarHBondContact O-N 3.46Å; D535-G539 PolarHBondContact O-N 3.29Å |
| 536 | A | 98.8 | Very high | 98.7 | Very high | 54 Ų | 54 | 100.6 Ų | 100.6 | 45% | 0.446 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -73.1 | -29.1 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | R532 L534 L540 | R532-A536 WeakPolarHBondContact O-CB 3.44Å; R532-A536 PolarHBondContact O-N 2.97Å; L534-A536 PolarHBondContact O-N 3.13Å; A536-L540 WeakPolarHBondContact O-CB 3.37Å; A536-L540 WeakPolarHBondContact O-CD1 3.34Å; A536-L540 WeakPolarHBondContact O-CG 3.31Å; A536-L540 PolarHBondContact O-N 3.36Å |
| 537 | I | 98.7 | Very high | 98.7 | Very high | 75 Ų | 75 | 102.6 Ų | 102.6 | 39% | 0.385 | 51% | 0.506 | S | S | . | . | H | α-helix | trans | -70.4 | -48 | 172.9 | -73.9 | 163.2 | 0 | 0 | 0 | 109.4 | K533 L534 L540 Q541 | K533-I537 HydrophobicContact CG-CD1 4.11Å; K533-I537 WeakPolarHBondContact O-CD1 3.27Å; K533-I537 VanDerWaalsContact O-CG1 3.23Å; K533-I537 WeakPolarHBondContact O-CG1 3.34Å; K533-I537 PolarHBondContact O-N 3.22Å; K533-I537 VanDerWaalsContact O-N 3.08Å; L534-I537 WeakPolarHBondContact O-CA 3.23Å; L534-I537 PolarHBondContact O-N 2.93Å; I537-L540 PolarHBondContact O-N 3.26Å; I537-L540 VanDerWaalsContact O-N 3.16Å; I537-Q541 WeakPolarHBondContact O-CG 3.47Å; I537-Q541 PolarHBondContact O-N 2.9Å |
| 538 | T | 98.7 | Very high | 98.7 | Very high | 67 Ų | 67 | 103 Ų | 103 | 41% | 0.411 | 51% | 0.508 | S | S | . | . | H | α-helix | trans | -61.1 | -47.6 | 179 | -56.9 | 0 | 0 | 0 | 0 | 111.8 | L534 L540 Q541 E542 | L534-T538 PolarHBondContact O-N 3.12Å; L534-T538 PolarHBondContact O-OG1 2.93Å; T538-L540 PolarHBondContact O-N 3.05Å; T538-Q541 WeakPolarHBondContact O-CB 3.17Å; T538-Q541 PolarHBondContact O-N 2.94Å; T538-E542 WeakPolarHBondContact O-CG 3.39Å; T538-E542 PolarHBondContact O-N 3.2Å |
| 539 | G | 98.8 | Very high | 98.8 | Very high | 34 Ų | 34 | 101.7 Ų | 101.7 | 35% | 0.351 | 51% | 0.51 | S | S | . | . | H | α-helix | trans | -63.3 | -26.4 | 176.1 | 0 | 0 | 0 | 0 | 0 | 114.4 | D535 E543 | D535-G539 PolarHBondContact O-N 3.29Å; G539-E543 WeakPolarHBondContact O-CB 3.02Å; G539-E543 PolarHBondContact O-N 2.8Å |
| 540 | L | 98.8 | Very high | 98.8 | Very high | 116 Ų | 116 | 101.7 Ų | 101.7 | 61% | 0.607 | 50% | 0.501 | S | S | * | . | H | α-helix | trans | -77.3 | -31.4 | 171.5 | -75.9 | 171.2 | 0 | 0 | 0 | 112.6 | A536 I537 T538 V544 | A536-L540 WeakPolarHBondContact O-CB 3.37Å; A536-L540 WeakPolarHBondContact O-CD1 3.34Å; A536-L540 WeakPolarHBondContact O-CG 3.31Å; A536-L540 PolarHBondContact O-N 3.36Å; I537-L540 PolarHBondContact O-N 3.26Å; I537-L540 VanDerWaalsContact O-N 3.16Å; T538-L540 PolarHBondContact O-N 3.05Å; L540-V544 WeakPolarHBondContact O-CB 3.47Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.29Å; L540-V544 PolarHBondContact O-N 3.05Å |
| 541 | Q | 98.8 | Very high | 98.8 | Very high | 103 Ų | 103 | 100.4 Ų | 100.4 | 48% | 0.481 | 50% | 0.497 | S | S | . | . | H | α-helix | trans | -66.8 | -49.4 | 173.2 | -67.9 | 170.9 | -79 | 0 | 0 | 110.4 | I537 T538 E543 V544 E545 | I537-Q541 WeakPolarHBondContact O-CG 3.47Å; I537-Q541 PolarHBondContact O-N 2.9Å; T538-Q541 WeakPolarHBondContact O-CB 3.17Å; T538-Q541 PolarHBondContact O-N 2.94Å; Q541-E543 VanDerWaalsContact C-N 3.33Å; Q541-E543 PolarHBondContact O-N 3.08Å; Q541-V544 PolarHBondContact O-N 2.97Å; Q541-V544 VanDerWaalsContact O-N 3.13Å; Q541-E545 WeakPolarHBondContact O-CG 3.38Å; Q541-E545 PolarHBondContact O-N 3.44Å |
| 542 | E | 98.8 | Very high | 98.8 | Very high | 121 Ų | 121 | 97.9 Ų | 97.9 | 57% | 0.565 | 49% | 0.489 | S | S | * | . | H | α-helix | trans | -55 | -45.2 | 175.6 | -69 | 170.8 | -168.3 | 0 | 0 | 112.2 | T538 E545 R546 | T538-E542 WeakPolarHBondContact O-CG 3.39Å; T538-E542 PolarHBondContact O-N 3.2Å; E542-E545 PolarHBondContact O-N 2.93Å; E542-R546 VanDerWaalsContact O-CB 3.3Å; E542-R546 WeakPolarHBondContact O-CB 3.34Å; E542-R546 PolarHBondContact O-N 2.87Å |
| 543 | E | 98.8 | Very high | 98.8 | Very high | 78 Ų | 78 | 95.4 Ų | 95.4 | 36% | 0.364 | 48% | 0.479 | S | S | . | . | H | α-helix | trans | -67.8 | -36.6 | 178 | 176.6 | 60.3 | -171.5 | 0 | 0 | 112.6 | G539 Q541 R546 L547 | G539-E543 WeakPolarHBondContact O-CB 3.02Å; G539-E543 PolarHBondContact O-N 2.8Å; Q541-E543 VanDerWaalsContact C-N 3.33Å; Q541-E543 PolarHBondContact O-N 3.08Å; E543-R546 VanDerWaalsContact CD-NH2 3.3Å; E543-R546 PolarHBondContact O-N 3.3Å; E543-R546 IonicContact OE1-CZ 3.53Å; E543-R546 IonicContact OE1-NE 3.31Å; E543-R546 IonicContact OE1-NH2 2.67Å; E543-R546 PolarHBondContact OE1-NH2 2.86Å; E543-R546 IonicContact OE2-CZ 2.81Å; E543-R546 IonicContact OE2-NE 2.63Å; E543-R546 PolarHBondContact OE2-NE 3.45Å; E543-R546 IonicContact OE2-NH2 3.74Å; E543-R546 PolarHBondContact OE2-NH2 3.28Å; E543-L547 HydrophobicContact CG-CD1 4.06Å; E543-L547 WeakPolarHBondContact O-CB 3.45Å; E543-L547 VanDerWaalsContact O-CG 3.23Å; E543-L547 WeakPolarHBondContact O-CG 3.46Å; E543-L547 PolarHBondContact O-N 3.01Å |
| 544 | V | 98.9 | Very high | 98.8 | Very high | 74 Ų | 74 | 92.4 Ų | 92.4 | 45% | 0.448 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -65.7 | -45.2 | 174.7 | 165.1 | 0 | 0 | 0 | 0 | 111.1 | L540 Q541 L547 Q548 | L540-V544 WeakPolarHBondContact O-CB 3.47Å; L540-V544 VanDerWaalsContact O-CG2 3.25Å; L540-V544 WeakPolarHBondContact O-CG2 3.29Å; L540-V544 PolarHBondContact O-N 3.05Å; Q541-V544 PolarHBondContact O-N 2.97Å; Q541-V544 VanDerWaalsContact O-N 3.13Å; V544-L547 PolarHBondContact O-N 3.43Å; V544-Q548 HydrophobicContact CG1-CG 4.48Å; V544-Q548 VanDerWaalsContact O-CG 3.28Å; V544-Q548 WeakPolarHBondContact O-CG 3.42Å; V544-Q548 PolarHBondContact O-N 2.99Å |
| 545 | E | 98.8 | Very high | 98.8 | Very high | 121 Ų | 121 | 90 Ų | 90 | 57% | 0.565 | 46% | 0.458 | S | S | * | . | H | α-helix | trans | -61.4 | -44.1 | 176 | -71.2 | 170.3 | -157.9 | 0 | 0 | 111.2 | Q541 E542 L547 Q548 A549 | Q541-E545 WeakPolarHBondContact O-CG 3.38Å; Q541-E545 PolarHBondContact O-N 3.44Å; E542-E545 PolarHBondContact O-N 2.93Å; E545-L547 PolarHBondContact O-N 2.83Å; E545-Q548 PolarHBondContact O-N 3.17Å; E545-A549 PolarHBondContact O-N 3.06Å |
| 546 | R | 98.8 | Very high | 98.8 | Very high | 113 Ų | 113 | 93.5 Ų | 93.5 | 43% | 0.426 | 47% | 0.465 | S | S | . | . | H | α-helix | trans | -60.1 | -42.7 | 175.3 | -166 | -161.4 | 64.9 | 64.6 | 1 | 112.2 | E542 E543 Q550 | E542-R546 VanDerWaalsContact O-CB 3.3Å; E542-R546 WeakPolarHBondContact O-CB 3.34Å; E542-R546 PolarHBondContact O-N 2.87Å; E543-R546 VanDerWaalsContact CD-NH2 3.3Å; E543-R546 PolarHBondContact O-N 3.3Å; E543-R546 IonicContact OE1-CZ 3.53Å; E543-R546 IonicContact OE1-NE 3.31Å; E543-R546 IonicContact OE1-NH2 2.67Å; E543-R546 PolarHBondContact OE1-NH2 2.86Å; E543-R546 IonicContact OE2-CZ 2.81Å; E543-R546 IonicContact OE2-NE 2.63Å; E543-R546 PolarHBondContact OE2-NE 3.45Å; E543-R546 IonicContact OE2-NH2 3.74Å; E543-R546 PolarHBondContact OE2-NH2 3.28Å; R546-Q550 WeakPolarHBondContact O-CB 3.49Å; R546-Q550 PolarHBondContact O-N 3.4Å |
| 547 | L | 98.8 | Very high | 98.8 | Very high | 82 Ų | 82 | 95.3 Ų | 95.3 | 43% | 0.429 | 46% | 0.464 | S | S | . | . | H | α-helix | trans | -69.1 | -37 | 177.2 | -75.1 | 169.4 | 0 | 0 | 0 | 112.5 | E543 V544 E545 Q550 R551 | E543-L547 HydrophobicContact CG-CD1 4.06Å; E543-L547 WeakPolarHBondContact O-CB 3.45Å; E543-L547 VanDerWaalsContact O-CG 3.23Å; E543-L547 WeakPolarHBondContact O-CG 3.46Å; E543-L547 PolarHBondContact O-N 3.01Å; V544-L547 PolarHBondContact O-N 3.43Å; E545-L547 PolarHBondContact O-N 2.83Å; L547-Q550 PolarHBondContact O-N 2.91Å; L547-R551 WeakPolarHBondContact O-CB 3.27Å; L547-R551 PolarHBondContact O-N 3.35Å |
| 548 | Q | 98.8 | Very high | 98.8 | Very high | 111 Ų | 111 | 98.8 Ų | 98.8 | 52% | 0.519 | 48% | 0.476 | S | S | . | . | H | α-helix | trans | -63.3 | -49.5 | 173.7 | -73.4 | 172 | 4.9 | 0 | 0 | 111.1 | V544 E545 Q550 R551 D552 | V544-Q548 HydrophobicContact CG1-CG 4.48Å; V544-Q548 VanDerWaalsContact O-CG 3.28Å; V544-Q548 WeakPolarHBondContact O-CG 3.42Å; V544-Q548 PolarHBondContact O-N 2.99Å; E545-Q548 PolarHBondContact O-N 3.17Å; Q548-Q550 VanDerWaalsContact C-N 3.28Å; Q548-Q550 PolarHBondContact O-N 2.97Å; Q548-R551 WeakPolarHBondContact O-CB 3.19Å; Q548-R551 PolarHBondContact O-N 2.9Å; Q548-R551 VanDerWaalsContact O-N 3.11Å; Q548-D552 PolarHBondContact O-N 2.81Å |
| 549 | A | 98.8 | Very high | 98.8 | Very high | 62 Ų | 62 | 103.9 Ų | 103.9 | 51% | 0.512 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -59 | -38.5 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112.5 | E545 D552 R553 | E545-A549 PolarHBondContact O-N 3.06Å; A549-D552 PolarHBondContact O-N 3.38Å; A549-R553 WeakPolarHBondContact O-CB 3.31Å; A549-R553 PolarHBondContact O-N 2.96Å |
| 550 | Q | 98.8 | Very high | 98.7 | Very high | 88 Ų | 88 | 107.5 Ų | 107.5 | 41% | 0.411 | 50% | 0.499 | S | S | . | . | H | α-helix | trans | -65.5 | -43.6 | 174.1 | -175.6 | 175 | -7.2 | 0 | 0 | 112.2 | R546 L547 Q548 D552 R553 L554 | R546-Q550 WeakPolarHBondContact O-CB 3.49Å; R546-Q550 PolarHBondContact O-N 3.4Å; L547-Q550 PolarHBondContact O-N 2.91Å; Q548-Q550 VanDerWaalsContact C-N 3.28Å; Q548-Q550 PolarHBondContact O-N 2.97Å; Q550-D552 PolarHBondContact O-N 2.86Å; Q550-R553 PolarHBondContact O-N 2.9Å; Q550-L554 HydrophobicContact CG-CD1 4.22Å; Q550-L554 WeakPolarHBondContact O-CG 3.19Å; Q550-L554 PolarHBondContact O-N 3.31Å |
| 551 | R | 98.8 | Very high | 98.7 | Very high | 155 Ų | 155 | 105.3 Ų | 105.3 | 59% | 0.585 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -59.6 | -44 | 174.7 | 173.5 | -85.6 | -164.6 | 176.4 | 2.1 | 111.5 | L547 Q548 L554 L555 | L547-R551 WeakPolarHBondContact O-CB 3.27Å; L547-R551 PolarHBondContact O-N 3.35Å; Q548-R551 WeakPolarHBondContact O-CB 3.19Å; Q548-R551 PolarHBondContact O-N 2.9Å; Q548-R551 VanDerWaalsContact O-N 3.11Å; R551-L554 PolarHBondContact O-N 3.5Å; R551-L555 VanDerWaalsContact CZ-CD1 3.44Å; R551-L555 WeakPolarHBondContact O-CG 3.5Å; R551-L555 PolarHBondContact O-N 3.19Å |
| 552 | D | 98.8 | Very high | 98.7 | Very high | 68 Ų | 68 | 103.4 Ų | 103.4 | 36% | 0.364 | 49% | 0.492 | S | S | . | . | H | α-helix | trans | -74.5 | -29.6 | -178.8 | -70.7 | -19.3 | 0 | 0 | 0 | 113.1 | Q548 A549 Q550 R556 | Q548-D552 PolarHBondContact O-N 2.81Å; A549-D552 PolarHBondContact O-N 3.38Å; Q550-D552 PolarHBondContact O-N 2.86Å; D552-R556 WeakPolarHBondContact O-CG 3.39Å; D552-R556 PolarHBondContact O-N 3.19Å; D552-R556 PolarHBondContact O-NE 3.44Å |
| 553 | R | 98.8 | Very high | 98.7 | Very high | 138 Ų | 138 | 105.3 Ų | 105.3 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -61.9 | -51.1 | 166.3 | -175.9 | -174.9 | 172 | -71 | -4.3 | 110.8 | A549 Q550 L555 R556 E557 | A549-R553 WeakPolarHBondContact O-CB 3.31Å; A549-R553 PolarHBondContact O-N 2.96Å; Q550-R553 PolarHBondContact O-N 2.9Å; R553-L555 PolarHBondContact O-N 3.4Å; R553-R556 PolarHBondContact O-N 2.91Å; R553-E557 IonicContact CZ-OE2 3.86Å; R553-E557 IonicContact NH1-OE2 3.15Å; R553-E557 PolarHBondContact NH1-OE2 3.07Å; R553-E557 IonicContact NH2-OE2 3.51Å; R553-E557 WeakPolarHBondContact O-CB 3.35Å; R553-E557 PolarHBondContact O-N 2.96Å |
| 554 | L | 98.8 | Very high | 98.7 | Very high | 87 Ų | 87 | 105.1 Ų | 105.1 | 46% | 0.455 | 50% | 0.502 | S | S | . | . | H | α-helix | trans | -66.2 | -32.6 | -178.5 | -70.1 | 170.3 | 0 | 0 | 0 | 113.2 | Q550 R551 K558 | Q550-L554 HydrophobicContact CG-CD1 4.22Å; Q550-L554 WeakPolarHBondContact O-CG 3.19Å; Q550-L554 PolarHBondContact O-N 3.31Å; R551-L554 PolarHBondContact O-N 3.5Å; L554-K558 WeakPolarHBondContact O-CB 3.39Å; L554-K558 PolarHBondContact O-N 2.89Å |
| 555 | L | 98.8 | Very high | 98.6 | Very high | 61 Ų | 61 | 107.8 Ų | 107.8 | 32% | 0.319 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -70.2 | -37.1 | 173.2 | -75.8 | -178 | 0 | 0 | 0 | 112.9 | R551 R553 R559 | R551-L555 VanDerWaalsContact CZ-CD1 3.44Å; R551-L555 WeakPolarHBondContact O-CG 3.5Å; R551-L555 PolarHBondContact O-N 3.19Å; R553-L555 PolarHBondContact O-N 3.4Å; L555-R559 WeakPolarHBondContact O-CB 3.41Å; L555-R559 VanDerWaalsContact O-CG 3.25Å; L555-R559 WeakPolarHBondContact O-CG 3.48Å; L555-R559 PolarHBondContact O-N 2.92Å |
| 556 | R | 98.7 | Very high | 98.6 | Very high | 156 Ų | 156 | 104 Ų | 104 | 59% | 0.589 | 51% | 0.505 | S | S | * | . | H | α-helix | trans | -65 | -42.9 | 172 | -74.4 | 176.7 | -69 | 138.9 | -10.8 | 111.3 | D552 R553 R559 L560 | D552-R556 WeakPolarHBondContact O-CG 3.39Å; D552-R556 PolarHBondContact O-N 3.19Å; D552-R556 PolarHBondContact O-NE 3.44Å; R553-R556 PolarHBondContact O-N 2.91Å; R556-R559 PolarHBondContact O-N 3Å; R556-L560 PolarHBondContact O-N 3.25Å |
| 557 | E | 98.6 | Very high | 98.5 | Very high | 92 Ų | 92 | 101.1 Ų | 101.1 | 43% | 0.43 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -58.6 | -51.8 | 174.5 | -162.3 | 174 | 148.4 | 0 | 0 | 111 | R553 R559 L560 T561 | R553-E557 IonicContact CZ-OE2 3.86Å; R553-E557 IonicContact NH1-OE2 3.15Å; R553-E557 PolarHBondContact NH1-OE2 3.07Å; R553-E557 IonicContact NH2-OE2 3.51Å; R553-E557 WeakPolarHBondContact O-CB 3.35Å; R553-E557 PolarHBondContact O-N 2.96Å; E557-R559 VanDerWaalsContact C-N 3.34Å; E557-R559 PolarHBondContact O-N 3.13Å; E557-L560 WeakPolarHBondContact O-CB 3.36Å; E557-L560 PolarHBondContact O-N 2.88Å; E557-L560 VanDerWaalsContact O-N 3.09Å; E557-T561 PolarHBondContact O-N 3.45Å; E557-T561 PolarHBondContact O-OG1 2.83Å; E557-T561 VanDerWaalsContact O-OG1 3.11Å |
| 558 | K | 98.6 | Very high | 98.5 | Very high | 148 Ų | 148 | 100.4 Ų | 100.4 | 64% | 0.643 | 50% | 0.504 | S | S | * | . | H | α-helix | trans | -56.2 | -43.3 | 175.2 | -177.7 | -177.1 | 176.2 | -175.7 | 0 | 112.8 | L554 L560 T561 A562 | L554-K558 WeakPolarHBondContact O-CB 3.39Å; L554-K558 PolarHBondContact O-N 2.89Å; K558-L560 VanDerWaalsContact C-N 3.35Å; K558-T561 PolarHBondContact O-N 3.38Å; K558-A562 WeakPolarHBondContact O-CB 3.13Å; K558-A562 PolarHBondContact O-N 2.83Å |
| 559 | R | 98.6 | Very high | 98.3 | Very high | 174 Ų | 174 | 97.1 Ų | 97.1 | 66% | 0.657 | 50% | 0.496 | S | S | * | . | H | α-helix | trans | -62.8 | -40.5 | 176.9 | -76.4 | 168.9 | 175.3 | 176.8 | -2.1 | 111.5 | L555 R556 E557 K563 | L555-R559 WeakPolarHBondContact O-CB 3.41Å; L555-R559 VanDerWaalsContact O-CG 3.25Å; L555-R559 WeakPolarHBondContact O-CG 3.48Å; L555-R559 PolarHBondContact O-N 2.92Å; R556-R559 PolarHBondContact O-N 3Å; E557-R559 VanDerWaalsContact C-N 3.34Å; E557-R559 PolarHBondContact O-N 3.13Å; R559-K563 WeakPolarHBondContact O-CG 3.39Å; R559-K563 PolarHBondContact O-N 2.87Å; R559-K563 VanDerWaalsContact O-N 3.1Å |
| 560 | L | 98.4 | Very high | 98.2 | Very high | 110 Ų | 110 | 99.9 Ų | 99.9 | 58% | 0.576 | 50% | 0.498 | S | S | * | . | H | α-helix | trans | -66 | -47.3 | 176.2 | -176.7 | 61.8 | 0 | 0 | 0 | 111.3 | R556 E557 K558 A562 K563 T564 | R556-L560 PolarHBondContact O-N 3.25Å; E557-L560 WeakPolarHBondContact O-CB 3.36Å; E557-L560 PolarHBondContact O-N 2.88Å; E557-L560 VanDerWaalsContact O-N 3.09Å; K558-L560 VanDerWaalsContact C-N 3.35Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.78Å; L560-K563 PolarHBondContact O-N 2.69Å; L560-T564 HydrophobicContact CD1-CG2 4.48Å; L560-T564 PolarHBondContact O-N 2.85Å; L560-T564 PolarHBondContact O-OG1 2.63Å |
| 561 | T | 98.4 | Very high | 98.1 | Very high | 69 Ų | 69 | 101.7 Ų | 101.7 | 42% | 0.423 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -60.2 | -39.8 | 176 | -50 | 0 | 0 | 0 | 0 | 112.2 | E557 K558 T564 M565 | E557-T561 PolarHBondContact O-N 3.45Å; E557-T561 PolarHBondContact O-OG1 2.83Å; E557-T561 VanDerWaalsContact O-OG1 3.11Å; K558-T561 PolarHBondContact O-N 3.38Å; T561-T564 PolarHBondContact O-N 3.2Å; T561-T564 PolarHBondContact O-OG1 2.67Å; T561-M565 HydrophobicContact CG2-CG 4.32Å; T561-M565 HydrophobicContact CG2-SD 4.11Å; T561-M565 VanDerWaalsContact O-CB 3.32Å; T561-M565 WeakPolarHBondContact O-CB 3.29Å; T561-M565 VanDerWaalsContact O-CG 3.29Å; T561-M565 WeakPolarHBondContact O-CG 3.35Å; T561-M565 PolarHBondContact O-N 3.31Å |
| 562 | A | 98.4 | Very high | 97.8 | Very high | 63 Ų | 63 | 98.7 Ų | 98.7 | 52% | 0.521 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -62.9 | -42.9 | 175.2 | 0 | 0 | 0 | 0 | 0 | 112 | K558 L560 G566 | K558-A562 WeakPolarHBondContact O-CB 3.13Å; K558-A562 PolarHBondContact O-N 2.83Å; L560-A562 VanDerWaalsContact C-N 3.32Å; L560-A562 PolarHBondContact O-N 2.78Å; A562-G566 PolarHBondContact O-N 2.81Å |
| 563 | K | 98.4 | Very high | 97.5 | Very high | 162 Ų | 162 | 102.5 Ų | 102.5 | 70% | 0.704 | 51% | 0.511 | S | S | * | . | H | α-helix | trans | -62.3 | -46.9 | 175 | -74.3 | -178.6 | 176.4 | -169.2 | 0 | 112.1 | R559 L560 G566 A567 | R559-K563 WeakPolarHBondContact O-CG 3.39Å; R559-K563 PolarHBondContact O-N 2.87Å; R559-K563 VanDerWaalsContact O-N 3.1Å; L560-K563 PolarHBondContact O-N 2.69Å; K563-G566 PolarHBondContact O-N 2.75Å; K563-A567 PolarHBondContact O-N 2.93Å |
| 564 | T | 98.3 | Very high | 97.2 | Very high | 73 Ų | 73 | 100.4 Ų | 100.4 | 45% | 0.448 | 51% | 0.507 | S | S | . | . | H | α-helix | trans | -68.8 | -40.1 | -179.6 | 57.3 | 0 | 0 | 0 | 0 | 112.2 | L560 T561 G566 A567 V568 | L560-T564 HydrophobicContact CD1-CG2 4.48Å; L560-T564 PolarHBondContact O-N 2.85Å; L560-T564 PolarHBondContact O-OG1 2.63Å; T561-T564 PolarHBondContact O-N 3.2Å; T561-T564 PolarHBondContact O-OG1 2.67Å; T564-G566 VanDerWaalsContact C-N 3.33Å; T564-G566 PolarHBondContact O-N 2.72Å; T564-A567 PolarHBondContact O-N 3.42Å; T564-V568 WeakPolarHBondContact O-CG2 3.36Å; T564-V568 PolarHBondContact O-N 3.15Å |
| 565 | M | 98.3 | Very high | 97 | Very high | 131 Ų | 131 | 101.4 Ų | 101.4 | 65% | 0.645 | 51% | 0.513 | S | S | * | . | H | α-helix | trans | -61.2 | -40.6 | 171.6 | -74.3 | -175.6 | 70.6 | 0 | 0 | 112.1 | T561 A569 | T561-M565 HydrophobicContact CG2-CG 4.32Å; T561-M565 HydrophobicContact CG2-SD 4.11Å; T561-M565 VanDerWaalsContact O-CB 3.32Å; T561-M565 WeakPolarHBondContact O-CB 3.29Å; T561-M565 VanDerWaalsContact O-CG 3.29Å; T561-M565 WeakPolarHBondContact O-CG 3.35Å; T561-M565 PolarHBondContact O-N 3.31Å; M565-A569 WeakPolarHBondContact O-CB 3.19Å; M565-A569 PolarHBondContact O-N 3.11Å |
| 566 | G | 97.6 | Very high | 96.6 | Very high | 42 Ų | 42 | 99.1 Ų | 99.1 | 43% | 0.433 | 50% | 0.501 | S | S | . | . | H | α-helix | trans | -60.9 | -45.7 | 174.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | A562 K563 T564 A569 H570 | A562-G566 PolarHBondContact O-N 2.81Å; K563-G566 PolarHBondContact O-N 2.75Å; T564-G566 VanDerWaalsContact C-N 3.33Å; T564-G566 PolarHBondContact O-N 2.72Å; G566-A569 PolarHBondContact O-N 3.39Å; G566-H570 PolarHBondContact O-N 3.4Å |
| 567 | A | 97.9 | Very high | 96.3 | Very high | 52 Ų | 52 | 98.1 Ų | 98.1 | 43% | 0.43 | 50% | 0.498 | S | S | . | . | H | α-helix | trans | -63 | -47.3 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | K563 T564 A569 H570 Q571 | K563-A567 PolarHBondContact O-N 2.93Å; T564-A567 PolarHBondContact O-N 3.42Å; A567-A569 VanDerWaalsContact C-N 3.35Å; A567-A569 PolarHBondContact O-N 3.36Å; A567-H570 WeakPolarHBondContact O-CB 3.36Å; A567-H570 PolarHBondContact O-N 3.45Å; A567-Q571 WeakPolarHBondContact O-CG 3.14Å; A567-Q571 PolarHBondContact O-N 2.94Å |
| 568 | V | 97.4 | Very high | 95.9 | Very high | 66 Ų | 66 | 95.9 Ų | 95.9 | 40% | 0.4 | 49% | 0.488 | S | S | . | . | H | α-helix | trans | -63.4 | -39.7 | 176.6 | 172.1 | 0 | 0 | 0 | 0 | 111.2 | T564 H570 Q571 F572 | T564-V568 WeakPolarHBondContact O-CG2 3.36Å; T564-V568 PolarHBondContact O-N 3.15Å; V568-H570 VanDerWaalsContact C-N 3.33Å; V568-H570 PolarHBondContact O-N 3.47Å; V568-Q571 PolarHBondContact O-N 2.98Å; V568-F572 WeakPolarHBondContact O-CB 3.38Å; V568-F572 PolarHBondContact O-N 2.83Å |
| 569 | A | 95.7 | Very high | 95.6 | Very high | 43 Ų | 43 | 91.4 Ų | 91.4 | 36% | 0.355 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -65.1 | -34.8 | 174.9 | 0 | 0 | 0 | 0 | 0 | 112.4 | M565 G566 A567 K573 | M565-A569 WeakPolarHBondContact O-CB 3.19Å; M565-A569 PolarHBondContact O-N 3.11Å; G566-A569 PolarHBondContact O-N 3.39Å; A567-A569 VanDerWaalsContact C-N 3.35Å; A567-A569 PolarHBondContact O-N 3.36Å; A569-K573 WeakPolarHBondContact O-CB 3.46Å; A569-K573 WeakPolarHBondContact O-CD 3.26Å; A569-K573 WeakPolarHBondContact O-CG 3.46Å; A569-K573 PolarHBondContact O-N 3.03Å |
| 570 | H | 96.6 | Very high | 95.3 | Very high | 120 Ų | 120 | 83.1 Ų | 83.1 | 56% | 0.556 | 44% | 0.442 | S | S | * | . | H | α-helix | trans | -67.2 | -48.8 | 172.4 | -176.5 | -89.5 | 0 | 0 | 0 | 111.7 | G566 A567 V568 F572 K573 Q574 | G566-H570 PolarHBondContact O-N 3.4Å; A567-H570 WeakPolarHBondContact O-CB 3.36Å; A567-H570 PolarHBondContact O-N 3.45Å; V568-H570 VanDerWaalsContact C-N 3.33Å; V568-H570 PolarHBondContact O-N 3.47Å; H570-F572 VanDerWaalsContact C-N 3.31Å; H570-F572 PolarHBondContact O-N 3.26Å; H570-K573 PolarHBondContact O-N 2.95Å; H570-Q574 PolarHBondContact O-N 3.41Å |
| 571 | Q | 96.4 | Very high | 94.8 | Very high | 126 Ų | 126 | 80.5 Ų | 80.5 | 59% | 0.589 | 43% | 0.433 | S | S | * | . | H | α-helix | trans | -56.5 | -43.7 | 175.4 | -71.9 | 175.3 | -12.1 | 0 | 0 | 111.8 | A567 V568 Q574 L575 | A567-Q571 WeakPolarHBondContact O-CG 3.14Å; A567-Q571 PolarHBondContact O-N 2.94Å; V568-Q571 PolarHBondContact O-N 2.98Å; Q571-Q574 PolarHBondContact O-N 2.84Å; Q571-L575 WeakPolarHBondContact O-CB 3.28Å; Q571-L575 PolarHBondContact O-N 2.89Å |
| 572 | F | 93 | Very high | 94.4 | Very high | 91 Ų | 91 | 86.7 Ų | 86.7 | 40% | 0.399 | 45% | 0.449 | S | S | . | . | H | α-helix | trans | -64.7 | -40.5 | 176.9 | -176.9 | -95.9 | 0 | 0 | 0 | 112.7 | V568 H570 T576 | V568-F572 WeakPolarHBondContact O-CB 3.38Å; V568-F572 PolarHBondContact O-N 2.83Å; H570-F572 VanDerWaalsContact C-N 3.31Å; H570-F572 PolarHBondContact O-N 3.26Å; F572-T576 WeakPolarHBondContact CE1-OG1 3.4Å; F572-T576 VanDerWaalsContact O-CB 3.22Å; F572-T576 WeakPolarHBondContact O-CB 3.45Å; F572-T576 PolarHBondContact O-N 3.4Å; F572-T576 PolarHBondContact O-OG1 3.45Å |
| 573 | K | 91.1 | Very high | 94 | Very high | 149 Ų | 149 | 86.4 Ų | 86.4 | 65% | 0.648 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -62 | -44.3 | 173.7 | -75.1 | 166.8 | -177 | 176.6 | 0 | 111.5 | A569 H570 T576 R577 | A569-K573 WeakPolarHBondContact O-CB 3.46Å; A569-K573 WeakPolarHBondContact O-CD 3.26Å; A569-K573 WeakPolarHBondContact O-CG 3.46Å; A569-K573 PolarHBondContact O-N 3.03Å; H570-K573 PolarHBondContact O-N 2.95Å; K573-T576 PolarHBondContact O-N 3.45Å; K573-R577 WeakPolarHBondContact O-CB 3.32Å; K573-R577 PolarHBondContact O-N 3.45Å |
| 574 | Q | 94.3 | Very high | 93.5 | Very high | 93 Ų | 93 | 85 Ų | 85 | 44% | 0.435 | 43% | 0.43 | S | S | . | . | H | α-helix | trans | -63 | -50.3 | 176.9 | -177.9 | 175 | -10.8 | 0 | 0 | 111.6 | H570 Q571 T576 R577 D578 | H570-Q574 PolarHBondContact O-N 3.41Å; Q571-Q574 PolarHBondContact O-N 2.84Å; Q574-T576 VanDerWaalsContact C-N 3.32Å; Q574-T576 PolarHBondContact O-N 3.31Å; Q574-R577 WeakPolarHBondContact O-CB 3.47Å; Q574-R577 PolarHBondContact O-N 3.09Å; Q574-D578 WeakPolarHBondContact O-CB 3.38Å; Q574-D578 VanDerWaalsContact O-CG 3.23Å; Q574-D578 PolarHBondContact O-N 2.92Å |
| 575 | L | 92.8 | Very high | 92.9 | Very high | 108 Ų | 108 | 83.6 Ų | 83.6 | 57% | 0.565 | 42% | 0.42 | S | S | * | . | H | α-helix | trans | -59.5 | -41.8 | 176.7 | -179.4 | 62.2 | 0 | 0 | 0 | 111.8 | Q571 D578 V579 | Q571-L575 WeakPolarHBondContact O-CB 3.28Å; Q571-L575 PolarHBondContact O-N 2.89Å; L575-D578 PolarHBondContact O-N 3.04Å; L575-V579 HydrophobicContact CD1-CG2 4.01Å; L575-V579 HydrophobicContact CG-CG2 4.35Å; L575-V579 WeakPolarHBondContact O-CB 3.37Å; L575-V579 VanDerWaalsContact O-CG2 3.29Å; L575-V579 WeakPolarHBondContact O-CG2 3.39Å; L575-V579 PolarHBondContact O-N 2.58Å |
| 576 | T | 90.9 | Very high | 92.3 | Very high | 13 Ų | 13 | 83 Ų | 83 | 8% | 0.08 | 44% | 0.437 | C | S | . | . | H | α-helix | trans | -60 | -48 | 176.4 | -65.8 | 0 | 0 | 0 | 0 | 111.5 | F572 K573 Q574 D578 L580 L598 | F572-T576 WeakPolarHBondContact CE1-OG1 3.4Å; F572-T576 VanDerWaalsContact O-CB 3.22Å; F572-T576 WeakPolarHBondContact O-CB 3.45Å; F572-T576 PolarHBondContact O-N 3.4Å; F572-T576 PolarHBondContact O-OG1 3.45Å; K573-T576 PolarHBondContact O-N 3.45Å; Q574-T576 VanDerWaalsContact C-N 3.32Å; Q574-T576 PolarHBondContact O-N 3.31Å; T576-D578 VanDerWaalsContact C-N 3.34Å; T576-D578 PolarHBondContact O-N 3Å; T576-L580 HydrophobicContact CG2-CD1 3.91Å; T576-L580 WeakPolarHBondContact O-CB 3.29Å; T576-L580 VanDerWaalsContact O-CG 3.27Å; T576-L580 WeakPolarHBondContact O-CG 3.42Å; T576-L580 PolarHBondContact O-N 3.47Å; T576-L598 HydrophobicContact CG2-CB 4.26Å; T576-L598 HydrophobicContact CG2-CD1 4.23Å; T576-L598 HydrophobicContact CG2-CG 4.06Å |
| 577 | R | 91.9 | Very high | 91.7 | Very high | 136 Ų | 136 | 84.6 Ų | 84.6 | 51% | 0.513 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -58.2 | -46.7 | 175.2 | -171.7 | -159.4 | 70.1 | 169.1 | -2.6 | 111.2 | K573 Q574 L580 S581 P593 | K573-R577 WeakPolarHBondContact O-CB 3.32Å; K573-R577 PolarHBondContact O-N 3.45Å; Q574-R577 WeakPolarHBondContact O-CB 3.47Å; Q574-R577 PolarHBondContact O-N 3.09Å; R577-L580 PolarHBondContact O-N 3.14Å; R577-S581 WeakPolarHBondContact O-CB 3.37Å; R577-S581 PolarHBondContact O-N 2.84Å; R577-P593 HydrophobicContact CG-CB 4.19Å; R577-P593 HydrophobicContact CG-CG 3.92Å |
| 578 | D | 91.5 | Very high | 91.1 | Very high | 44 Ų | 44 | 84.7 Ų | 84.7 | 24% | 0.235 | 45% | 0.447 | C | S | . | . | H | α-helix | trans | -73 | -35.9 | -173.3 | -67.7 | -0.9 | 0 | 0 | 0 | 111.8 | Q574 L575 T576 S581 R582 | Q574-D578 WeakPolarHBondContact O-CB 3.38Å; Q574-D578 VanDerWaalsContact O-CG 3.23Å; Q574-D578 PolarHBondContact O-N 2.92Å; L575-D578 PolarHBondContact O-N 3.04Å; T576-D578 VanDerWaalsContact C-N 3.34Å; T576-D578 PolarHBondContact O-N 3Å; D578-S581 PolarHBondContact O-N 3.24Å; D578-S581 PolarHBondContact O-OG 3.38Å; D578-R582 WeakPolarHBondContact O-CG 3.49Å; D578-R582 PolarHBondContact O-N 2.91Å |
| 579 | V | 92.6 | Very high | 90.4 | Very high | 54 Ų | 54 | 89 Ų | 89 | 33% | 0.327 | 46% | 0.456 | S | S | . | . | H | α-helix | trans | -65.1 | -48.1 | 170.7 | 169.3 | 0 | 0 | 0 | 0 | 111.1 | L575 S581 R582 V583 L598 | L575-V579 HydrophobicContact CD1-CG2 4.01Å; L575-V579 HydrophobicContact CG-CG2 4.35Å; L575-V579 WeakPolarHBondContact O-CB 3.37Å; L575-V579 VanDerWaalsContact O-CG2 3.29Å; L575-V579 WeakPolarHBondContact O-CG2 3.39Å; L575-V579 PolarHBondContact O-N 2.58Å; V579-S581 VanDerWaalsContact C-N 3.26Å; V579-S581 PolarHBondContact O-N 2.8Å; V579-R582 WeakPolarHBondContact O-CA 3.2Å; V579-R582 PolarHBondContact O-N 2.83Å; V579-V583 HydrophobicContact CG1-CG2 4.15Å; V579-V583 WeakPolarHBondContact O-CG2 3.49Å; V579-V583 PolarHBondContact O-N 2.97Å; V579-L598 HydrophobicContact CB-CD1 3.96Å; V579-L598 HydrophobicContact CG1-CD1 3.73Å |
| 580 | L | 91.4 | Very high | 89.9 | Confident | 0 Ų | 0 | 90.5 Ų | 90.5 | 0% | 0 | 46% | 0.462 | C | S | . | . | H | α-helix | trans | -62.7 | -34.3 | 178.7 | -69.6 | 169.3 | 0 | 0 | 0 | 112.1 | T576 R577 R582 L591 P593 F596 L598 V608 | T576-L580 HydrophobicContact CG2-CD1 3.91Å; T576-L580 WeakPolarHBondContact O-CB 3.29Å; T576-L580 VanDerWaalsContact O-CG 3.27Å; T576-L580 WeakPolarHBondContact O-CG 3.42Å; T576-L580 PolarHBondContact O-N 3.47Å; R577-L580 PolarHBondContact O-N 3.14Å; L580-R582 PolarHBondContact O-N 2.99Å; L580-L591 CarbonylContact C-O 3.51Å; L580-L591 HydrophobicContact CB-CB 4.29Å; L580-L591 HydrophobicContact CD2-CB 4.08Å; L580-L591 HydrophobicContact CD2-CD1 3.82Å; L580-L591 PolarHBondContact O-N 3.47Å; L580-P593 HydrophobicContact CD1-CB 4.12Å; L580-F596 WeakPolarHBondContact CD1-O 3.43Å; L580-F596 HydrophobicContact CD2-CB 4.27Å; L580-L598 HydrophobicContact CD2-CD2 3.89Å; L580-L598 HydrophobicContact CD2-CG 4.3Å; L580-L598 HydrophobicContact CG-CD2 4.37Å; L580-L598 HydrophobicContact CG-CG 4.28Å; L580-V608 HydrophobicContact CD2-CG1 4.31Å; L580-V608 HydrophobicContact CD2-CG2 4.44Å |
| 581 | S | 88.6 | Confident | 89.4 | Confident | 56 Ų | 56 | 85.8 Ų | 85.8 | 39% | 0.392 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.7 | -20.6 | 172.4 | 85.5 | 0 | 0 | 0 | 0 | 114.2 | R577 D578 V579 R584 | R577-S581 WeakPolarHBondContact O-CB 3.37Å; R577-S581 PolarHBondContact O-N 2.84Å; D578-S581 PolarHBondContact O-N 3.24Å; D578-S581 PolarHBondContact O-OG 3.38Å; V579-S581 VanDerWaalsContact C-N 3.26Å; V579-S581 PolarHBondContact O-N 2.8Å; S581-R584 PolarHBondContact O-NH1 3.47Å |
| 582 | R | 89.2 | Confident | 88.8 | Confident | 199 Ų | 199 | 82.6 Ų | 82.6 | 75% | 0.751 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -98.9 | -35.8 | 179 | -67.5 | 175.6 | -172 | -156.3 | 3.9 | 112.9 | D578 V579 L580 R584 | D578-R582 WeakPolarHBondContact O-CG 3.49Å; D578-R582 PolarHBondContact O-N 2.91Å; V579-R582 WeakPolarHBondContact O-CA 3.2Å; V579-R582 PolarHBondContact O-N 2.83Å; L580-R582 PolarHBondContact O-N 2.99Å; R582-R584 VanDerWaalsContact C-NH1 3.29Å; R582-R584 PolarHBondContact O-NH1 2.8Å |
| 583 | V | 89.4 | Confident | 88.3 | Confident | 57 Ų | 57 | 80.9 Ų | 80.9 | 35% | 0.345 | 43% | 0.426 | S | S | . | . | S | Bend | trans | -61.7 | 149.9 | 172 | 179.3 | 0 | 0 | 0 | 0 | 109.9 | V579 P590 L591 | V579-V583 HydrophobicContact CG1-CG2 4.15Å; V579-V583 WeakPolarHBondContact O-CG2 3.49Å; V579-V583 PolarHBondContact O-N 2.97Å; V583-P590 WeakPolarHBondContact O-CA 3.47Å; V583-L591 HydrophobicContact CB-CD1 3.95Å; V583-L591 HydrophobicContact CB-CG 4.38Å; V583-L591 HydrophobicContact CG1-CD1 3.47Å; V583-L591 VanDerWaalsContact CG1-CD1 3.47Å; V583-L591 HydrophobicContact CG1-CG 4.07Å; V583-L591 PolarHBondContact O-N 2.79Å |
| 584 | R | 89.3 | Confident | 88 | Confident | 131 Ų | 131 | 80.3 Ų | 80.3 | 49% | 0.494 | 43% | 0.426 | S | S | . | . | B | Isolated β-bridge | trans | -122.2 | 142.7 | -179 | -63.5 | -65.5 | 179.6 | -99.4 | 8.4 | 111.7 | S581 R582 G588 R589 | S581-R584 PolarHBondContact O-NH1 3.47Å; R582-R584 VanDerWaalsContact C-NH1 3.29Å; R582-R584 PolarHBondContact O-NH1 2.8Å; R584-G588 WeakPolarHBondContact CD-O 3.39Å; R584-R589 CarbonylContact C-O 3.56Å; R584-R589 VanDerWaalsContact CA-O 3.26Å; R584-R589 WeakPolarHBondContact CA-O 3.45Å; R584-R589 VanDerWaalsContact CD-C 3.46Å |
| 585 | D | 85.6 | Confident | 87.6 | Confident | 44 Ų | 44 | 83.9 Ų | 83.9 | 24% | 0.235 | 44% | 0.435 | C | S | . | . | trans | -74.5 | 171 | 169 | 77.7 | 6.6 | 0 | 0 | 0 | 111.5 | S587 G588 R589 L591 | D585-S587 PolarHBondContact O-N 3.12Å; D585-S587 VanDerWaalsContact OD1-CA 3.25Å; D585-S587 WeakPolarHBondContact OD1-CA 3.41Å; D585-S587 WeakPolarHBondContact OD1-CB 3.28Å; D585-S587 PolarHBondContact OD1-N 3.31Å; D585-S587 PolarHBondContact OD1-OG 3.27Å; D585-S587 PolarHBondContact OD2-OG 3.38Å; D585-G588 PolarHBondContact O-N 3.22Å; D585-G588 PolarHBondContact OD1-N 2.7Å; D585-R589 PolarHBondContact N-O 3.29Å; D585-R589 PolarHBondContact OD1-N 2.92Å; D585-R589 IonicContact OD1-NE 3.43Å; D585-R589 IonicContact OD2-CZ 3.66Å; D585-R589 IonicContact OD2-NE 3.8Å; D585-R589 PolarHBondContact OD2-NE 3.5Å; D585-R589 VanDerWaalsContact OD2-NE 3.12Å; D585-R589 IonicContact OD2-NH2 2.71Å; D585-R589 PolarHBondContact OD2-NH2 3.16Å; D585-L591 HydrophobicContact CB-CD2 4.12Å | ||
| 586 | A | 85.2 | Confident | 87.3 | Confident | 120 Ų | 120 | 81.7 Ų | 81.7 | 99% | 0.992 | 42% | 0.421 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -65.2 | -3.8 | 178.3 | 0 | 0 | 0 | 0 | 0 | 114.4 | ||
| 587 | S | 85.3 | Confident | 87.3 | Confident | 75 Ų | 75 | 83.4 Ų | 83.4 | 52% | 0.524 | 43% | 0.431 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.4 | 10.7 | 171.2 | 66.4 | 0 | 0 | 0 | 0 | 113.2 | D585 R589 | D585-S587 PolarHBondContact O-N 3.12Å; D585-S587 VanDerWaalsContact OD1-CA 3.25Å; D585-S587 WeakPolarHBondContact OD1-CA 3.41Å; D585-S587 WeakPolarHBondContact OD1-CB 3.28Å; D585-S587 PolarHBondContact OD1-N 3.31Å; D585-S587 PolarHBondContact OD1-OG 3.27Å; D585-S587 PolarHBondContact OD2-OG 3.38Å; S587-R589 VanDerWaalsContact OG-CZ 3.32Å; S587-R589 PolarHBondContact OG-NE 3.03Å; S587-R589 PolarHBondContact OG-NH2 3.03Å |
| 588 | G | 84.2 | Confident | 87.2 | Confident | 53 Ų | 53 | 78 Ų | 78 | 55% | 0.546 | 41% | 0.413 | S | S | . | . | S | Bend | trans | 78.3 | 14.1 | 176.1 | 0 | 0 | 0 | 0 | 0 | 115.1 | R584 D585 | R584-G588 WeakPolarHBondContact CD-O 3.39Å; D585-G588 PolarHBondContact O-N 3.22Å; D585-G588 PolarHBondContact OD1-N 2.7Å |
| 589 | R | 83.6 | Confident | 87.1 | Confident | 156 Ų | 156 | 80.8 Ų | 80.8 | 59% | 0.589 | 42% | 0.424 | S | S | * | . | P | Polyproline II helix | trans | -99.8 | 149.7 | -179.1 | -58.8 | 177.3 | -57.5 | -167.9 | -1.3 | 111.6 | R584 D585 S587 | R584-R589 CarbonylContact C-O 3.56Å; R584-R589 VanDerWaalsContact CA-O 3.26Å; R584-R589 WeakPolarHBondContact CA-O 3.45Å; R584-R589 VanDerWaalsContact CD-C 3.46Å; D585-R589 PolarHBondContact N-O 3.29Å; D585-R589 PolarHBondContact OD1-N 2.92Å; D585-R589 IonicContact OD1-NE 3.43Å; D585-R589 IonicContact OD2-CZ 3.66Å; D585-R589 IonicContact OD2-NE 3.8Å; D585-R589 PolarHBondContact OD2-NE 3.5Å; D585-R589 VanDerWaalsContact OD2-NE 3.12Å; D585-R589 IonicContact OD2-NH2 2.71Å; D585-R589 PolarHBondContact OD2-NH2 3.16Å; S587-R589 VanDerWaalsContact OG-CZ 3.32Å; S587-R589 PolarHBondContact OG-NE 3.03Å; S587-R589 PolarHBondContact OG-NH2 3.03Å |
| 590 | P | 84.5 | Confident | 86.8 | Confident | 76 Ų | 76 | 81.8 Ų | 81.8 | 49% | 0.494 | 43% | 0.433 | S | S | . | . | B | Isolated β-bridge | trans | -58.8 | 147.4 | 173.4 | 25.2 | -34.5 | 0 | 0 | 0 | 112.2 | V583 | V583-P590 WeakPolarHBondContact O-CA 3.47Å |
| 591 | L | 86.3 | Confident | 86.6 | Confident | 20 Ų | 20 | 83.3 Ų | 83.3 | 11% | 0.105 | 45% | 0.449 | C | S | . | . | P | Polyproline II helix | trans | -73.5 | 133.5 | 171.3 | -65.9 | 179.4 | 0 | 0 | 0 | 109.9 | L580 V583 D585 F596 V608 | L580-L591 CarbonylContact C-O 3.51Å; L580-L591 HydrophobicContact CB-CB 4.29Å; L580-L591 HydrophobicContact CD2-CB 4.08Å; L580-L591 HydrophobicContact CD2-CD1 3.82Å; L580-L591 PolarHBondContact O-N 3.47Å; V583-L591 HydrophobicContact CB-CD1 3.95Å; V583-L591 HydrophobicContact CB-CG 4.38Å; V583-L591 HydrophobicContact CG1-CD1 3.47Å; V583-L591 VanDerWaalsContact CG1-CD1 3.47Å; V583-L591 HydrophobicContact CG1-CG 4.07Å; V583-L591 PolarHBondContact O-N 2.79Å; D585-L591 HydrophobicContact CB-CD2 4.12Å; L591-F596 HydrophobicContact CB-CD2 4.28Å; L591-F596 HydrophobicContact CD2-CD2 4.14Å; L591-F596 HydrophobicContact CD2-CE2 4.07Å; L591-F596 HydrophobicContact CD2-CZ 4.45Å; L591-V608 HydrophobicContact CD1-CG1 3.79Å; L591-V608 HydrophobicContact CD1-CG2 4.15Å |
| 592 | N | 83.8 | Confident | 86.6 | Confident | 60 Ų | 60 | 85.7 Ų | 85.7 | 32% | 0.321 | 47% | 0.472 | S | S | . | . | P | Polyproline II helix | trans | -82.5 | 121.4 | 178.7 | -178.7 | -29.1 | 0 | 0 | 0 | 110.2 | E594 R595 F596 | N592-E594 PolarHBondContact O-N 3.03Å; N592-E594 VanDerWaalsContact OD1-CB 3.28Å; N592-E594 WeakPolarHBondContact OD1-CB 3.47Å; N592-E594 WeakPolarHBondContact OD1-CG 3.25Å; N592-E594 PolarHBondContact OD1-N 3.31Å; N592-R595 HydrophobicContact CB-CG 4.48Å; N592-R595 PolarHBondContact O-N 2.79Å; N592-F596 PolarHBondContact O-N 3.17Å |
| 593 | P | 83.7 | Confident | 86.7 | Confident | 55 Ų | 55 | 82.4 Ų | 82.4 | 36% | 0.357 | 47% | 0.469 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -68.7 | -12.4 | -178.6 | 30 | -36.8 | 0 | 0 | 0 | 115.1 | R577 L580 R595 I611 | R577-P593 HydrophobicContact CG-CB 4.19Å; R577-P593 HydrophobicContact CG-CG 3.92Å; L580-P593 HydrophobicContact CD1-CB 4.12Å; P593-R595 VanDerWaalsContact C-N 3.3Å; P593-I611 VanDerWaalsContact O-CD1 3.31Å; P593-I611 WeakPolarHBondContact O-CD1 3.39Å |
| 594 | E | 84.5 | Confident | 86.6 | Confident | 136 Ų | 136 | 82.7 Ų | 82.7 | 64% | 0.636 | 48% | 0.484 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80 | -14.1 | 170.8 | -55.8 | 173.9 | 154.6 | 0 | 0 | 112.6 | N592 | N592-E594 PolarHBondContact O-N 3.03Å; N592-E594 VanDerWaalsContact OD1-CB 3.28Å; N592-E594 WeakPolarHBondContact OD1-CB 3.47Å; N592-E594 WeakPolarHBondContact OD1-CG 3.25Å; N592-E594 PolarHBondContact OD1-N 3.31Å |
| 595 | R | 85.3 | Confident | 86.6 | Confident | 168 Ų | 168 | 84.7 Ų | 84.7 | 63% | 0.634 | 49% | 0.491 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -116.9 | -19.2 | -176.1 | -62 | -171.7 | -179.3 | -160.1 | -1.4 | 113.7 | N592 P593 P610 I611 | N592-R595 HydrophobicContact CB-CG 4.48Å; N592-R595 PolarHBondContact O-N 2.79Å; P593-R595 VanDerWaalsContact C-N 3.3Å; R595-P610 CarbonylContact O-C 3.58Å; R595-P610 WeakPolarHBondContact O-CA 3.37Å; R595-I611 PolarHBondContact O-N 2.95Å |
| 596 | F | 87.6 | Confident | 86.8 | Confident | 63 Ų | 63 | 86.5 Ų | 86.5 | 28% | 0.276 | 50% | 0.504 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 145.3 | -179.5 | -61.4 | -82.4 | 0 | 0 | 0 | 110.1 | L580 L591 N592 V608 Q609 P610 | L580-F596 WeakPolarHBondContact CD1-O 3.43Å; L580-F596 HydrophobicContact CD2-CB 4.27Å; L591-F596 HydrophobicContact CB-CD2 4.28Å; L591-F596 HydrophobicContact CD2-CD2 4.14Å; L591-F596 HydrophobicContact CD2-CE2 4.07Å; L591-F596 HydrophobicContact CD2-CZ 4.45Å; N592-F596 PolarHBondContact O-N 3.17Å; F596-V608 HydrophobicContact CB-CG1 3.99Å; F596-V608 HydrophobicContact CD1-CG1 3.85Å; F596-V608 HydrophobicContact CG-CG1 4.19Å; F596-Q609 CarbonylContact C-O 3.56Å; F596-Q609 WeakPolarHBondContact CA-O 3.47Å; F596-P610 HydrophobicContact CD1-CB 4.42Å; F596-P610 HydrophobicContact CD1-CG 4.31Å; F596-P610 HydrophobicContact CE1-CB 4.41Å; F596-P610 HydrophobicContact CE1-CG 4.1Å |
| 597 | T | 90.6 | Very high | 87 | Confident | 48 Ų | 48 | 83.3 Ų | 83.3 | 29% | 0.294 | 47% | 0.472 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -127.6 | 165.8 | 172.7 | -170.8 | 0 | 0 | 0 | 0 | 109.8 | Q609 I611 | T597-Q609 HydrophobicContact CG2-CB 4.4Å; T597-Q609 PolarHBondContact N-O 3.24Å; T597-Q609 PolarHBondContact O-N 2.87Å; T597-I611 HydrophobicContact CG2-CG1 4.06Å |
| 598 | L | 90.3 | Very high | 87.3 | Confident | 22 Ų | 22 | 82.9 Ų | 82.9 | 12% | 0.115 | 47% | 0.466 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 123.6 | 172.5 | -61.8 | 177.3 | 0 | 0 | 0 | 109.1 | T576 V579 L580 V606 V608 | T576-L598 HydrophobicContact CG2-CB 4.26Å; T576-L598 HydrophobicContact CG2-CD1 4.23Å; T576-L598 HydrophobicContact CG2-CG 4.06Å; V579-L598 HydrophobicContact CB-CD1 3.96Å; V579-L598 HydrophobicContact CG1-CD1 3.73Å; L580-L598 HydrophobicContact CD2-CD2 3.89Å; L580-L598 HydrophobicContact CD2-CG 4.3Å; L580-L598 HydrophobicContact CG-CD2 4.37Å; L580-L598 HydrophobicContact CG-CG 4.28Å; L598-V606 HydrophobicContact CB-CG1 4.03Å; L598-V606 HydrophobicContact CD2-CG1 4.13Å; L598-V606 HydrophobicContact CG-CG1 4.46Å; L598-V608 HydrophobicContact CD2-CG2 3.86Å |
| 599 | Q | 88.4 | Confident | 87.5 | Confident | 103 Ų | 103 | 83.3 Ų | 83.3 | 48% | 0.481 | 45% | 0.454 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -105.8 | 121.3 | 171.9 | -174.1 | -177.7 | 40.7 | 0 | 0 | 108.7 | V606 V607 | Q599-V606 CarbonylContact O-C 3.57Å; Q599-V606 WeakPolarHBondContact O-CA 3.37Å; Q599-V607 HydrophobicContact CB-CG2 3.95Å; Q599-V607 PolarHBondContact N-O 2.92Å; Q599-V607 PolarHBondContact O-N 2.98Å |
| 600 | C | 86.7 | Confident | 87.7 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 51% | 0.507 | 45% | 0.45 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.3 | 118.1 | 171.3 | -60.4 | 0 | 0 | 0 | 0 | 109 | ||
| 601 | G | 87.7 | Confident | 87.7 | Confident | 32 Ų | 32 | 79.2 Ų | 79.2 | 33% | 0.33 | 44% | 0.443 | S | S | . | . | trans | -75.7 | 157.6 | 170.6 | 0 | 0 | 0 | 0 | 0 | 112.1 | N603 G604 R605 | G601-N603 PolarHBondContact O-N 2.96Å; G601-G604 PolarHBondContact O-N 3.23Å; G601-R605 PolarHBondContact N-O 3.05Å | ||
| 602 | A | 87.8 | Confident | 87.2 | Confident | 106 Ų | 106 | 88.7 Ų | 88.7 | 88% | 0.876 | 48% | 0.477 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -60.3 | -14.8 | 177.7 | 0 | 0 | 0 | 0 | 0 | 114.3 | G604 | A602-G604 VanDerWaalsContact C-N 3.29Š|
| 603 | N | 90.8 | Very high | 86 | Confident | 130 Ų | 130 | 92.6 Ų | 92.6 | 70% | 0.695 | 49% | 0.494 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.7 | 15.1 | 171.4 | 63.7 | -5.6 | 0 | 0 | 0 | 113.7 | G601 R605 | G601-N603 PolarHBondContact O-N 2.96Å; N603-R605 PolarHBondContact O-N 3.25Å; N603-R605 VanDerWaalsContact O-N 3.16Å; N603-R605 VanDerWaalsContact OD1-CB 3.26Å; N603-R605 WeakPolarHBondContact OD1-CB 3.44Å; N603-R605 PolarHBondContact OD1-N 2.92Å; N603-R605 VanDerWaalsContact OD1-N 3.17Å |
| 604 | G | 86.9 | Confident | 84.5 | Confident | 64 Ų | 64 | 95.4 Ų | 95.4 | 66% | 0.66 | 51% | 0.512 | S | S | * | . | S | Bend | trans | 71.9 | -1 | -176.8 | 0 | 0 | 0 | 0 | 0 | 115 | G601 A602 V606 | G601-G604 PolarHBondContact O-N 3.23Å; A602-G604 VanDerWaalsContact C-N 3.29Å; G604-V606 PolarHBondContact O-N 2.76Å |
| 605 | R | 89.7 | Confident | 82.5 | Confident | 173 Ų | 173 | 93.8 Ų | 93.8 | 65% | 0.653 | 52% | 0.522 | S | S | * | . | trans | -77.5 | 116.1 | -178.8 | -171 | -178.6 | -177.9 | -178.5 | 2.1 | 110.5 | G601 N603 V607 | G601-R605 PolarHBondContact N-O 3.05Å; N603-R605 PolarHBondContact O-N 3.25Å; N603-R605 VanDerWaalsContact O-N 3.16Å; N603-R605 VanDerWaalsContact OD1-CB 3.26Å; N603-R605 WeakPolarHBondContact OD1-CB 3.44Å; N603-R605 PolarHBondContact OD1-N 2.92Å; N603-R605 VanDerWaalsContact OD1-N 3.17Å; R605-V607 HydrophobicContact CG-CG1 4.26Å | ||
| 606 | V | 89.6 | Confident | 80.7 | Confident | 81 Ų | 81 | 91.4 Ų | 91.4 | 49% | 0.491 | 53% | 0.526 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -80.7 | 132.7 | 169.4 | -166.8 | 0 | 0 | 0 | 0 | 109.9 | L598 Q599 G604 | L598-V606 HydrophobicContact CB-CG1 4.03Å; L598-V606 HydrophobicContact CD2-CG1 4.13Å; L598-V606 HydrophobicContact CG-CG1 4.46Å; Q599-V606 CarbonylContact O-C 3.57Å; Q599-V606 WeakPolarHBondContact O-CA 3.37Å; G604-V606 PolarHBondContact O-N 2.76Å |
| 607 | V | 90.3 | Very high | 78.4 | Confident | 53 Ų | 53 | 92.8 Ų | 92.8 | 32% | 0.321 | 55% | 0.549 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.6 | 144.6 | 172 | -61.3 | 0 | 0 | 0 | 0 | 111.1 | Q599 R605 | Q599-V607 HydrophobicContact CB-CG2 3.95Å; Q599-V607 PolarHBondContact N-O 2.92Å; Q599-V607 PolarHBondContact O-N 2.98Å; R605-V607 HydrophobicContact CG-CG1 4.26Å |
| 608 | V | 90.8 | Very high | 76.2 | Confident | 66 Ų | 66 | 96.3 Ų | 96.3 | 40% | 0.4 | 57% | 0.57 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -83 | 122.7 | 172.1 | 178.8 | 0 | 0 | 0 | 0 | 108.5 | L580 L591 F596 L598 | L580-V608 HydrophobicContact CD2-CG1 4.31Å; L580-V608 HydrophobicContact CD2-CG2 4.44Å; L591-V608 HydrophobicContact CD1-CG1 3.79Å; L591-V608 HydrophobicContact CD1-CG2 4.15Å; F596-V608 HydrophobicContact CB-CG1 3.99Å; F596-V608 HydrophobicContact CD1-CG1 3.85Å; F596-V608 HydrophobicContact CG-CG1 4.19Å; L598-V608 HydrophobicContact CD2-CG2 3.86Å |
| 609 | Q | 88.6 | Confident | 73.9 | Confident | 62 Ų | 62 | 100.9 Ų | 100.9 | 29% | 0.29 | 60% | 0.604 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -120.6 | 137.6 | 177.9 | -166 | 178.5 | 23.7 | 0 | 0 | 110.8 | F596 T597 I611 | F596-Q609 CarbonylContact C-O 3.56Å; F596-Q609 WeakPolarHBondContact CA-O 3.47Å; T597-Q609 HydrophobicContact CG2-CB 4.4Å; T597-Q609 PolarHBondContact N-O 3.24Å; T597-Q609 PolarHBondContact O-N 2.87Å; Q609-I611 PolarHBondContact O-N 3.23Å |
| 610 | P | 87.3 | Confident | 71.8 | Confident | 80 Ų | 80 | 100.4 Ų | 100.4 | 52% | 0.519 | 62% | 0.618 | S | S | . | * | E | Extended strand (participates in β ladder) | trans | -62.2 | 135 | 169.7 | -20.5 | 32.4 | 0 | 0 | 0 | 111.4 | R595 F596 R612 | R595-P610 CarbonylContact O-C 3.58Å; R595-P610 WeakPolarHBondContact O-CA 3.37Å; F596-P610 HydrophobicContact CD1-CB 4.42Å; F596-P610 HydrophobicContact CD1-CG 4.31Å; F596-P610 HydrophobicContact CE1-CB 4.41Å; F596-P610 HydrophobicContact CE1-CG 4.1Å; P610-R612 PolarHBondContact O-N 3.24Å |
| 611 | I | 85.8 | Confident | 69.4 | Low | 67 Ų | 67 | 100.4 Ų | 100.4 | 34% | 0.344 | 63% | 0.63 | S | S | . | * | trans | -69.8 | 117.3 | 175.5 | -67 | 172.1 | 0 | 0 | 0 | 108.6 | P593 R595 T597 Q609 Q613 | P593-I611 VanDerWaalsContact O-CD1 3.31Å; P593-I611 WeakPolarHBondContact O-CD1 3.39Å; R595-I611 PolarHBondContact O-N 2.95Å; T597-I611 HydrophobicContact CG2-CG1 4.06Å; Q609-I611 PolarHBondContact O-N 3.23Å; I611-Q613 VanDerWaalsContact C-N 3.33Å; I611-Q613 HydrophobicContact CG2-CG 4.25Å; I611-Q613 PolarHBondContact O-N 3.3Å | ||
| 612 | R | 75.4 | Confident | 67.5 | Low | 218 Ų | 218 | 108.2 Ų | 108.2 | 82% | 0.823 | 66% | 0.655 | S | S | * | * | trans | -76.2 | 84.1 | 173.8 | -68.1 | -179.9 | 179.2 | 159.9 | -1.6 | 109.6 | P610 | P610-R612 PolarHBondContact O-N 3.24Š| ||
| 613 | Q | 59.4 | Low | 65.2 | Low | 142 Ų | 142 | 112.1 Ų | 112.1 | 66% | 0.664 | 65% | 0.652 | S | S | * | * | trans | -62.9 | 127.9 | 169.5 | -65.2 | -176.2 | -5.5 | 0 | 0 | 109.3 | I611 A615 | I611-Q613 VanDerWaalsContact C-N 3.33Å; I611-Q613 HydrophobicContact CG2-CG 4.25Å; I611-Q613 PolarHBondContact O-N 3.3Å; Q613-A615 PolarHBondContact O-N 2.77Å | ||
| 614 | P | 50.6 | Low | 62.9 | Low | 114 Ų | 114 | 111.7 Ų | 111.7 | 74% | 0.74 | 66% | 0.655 | S | S | * | * | trans | -63.2 | 132.7 | 170 | 26.9 | -32.8 | 0 | 0 | 0 | 109 | V616 | P614-V616 PolarHBondContact O-N 3.18Š| ||
| 615 | A | 43.3 | Very low | 60.8 | Low | 102 Ų | 102 | 116.2 Ų | 116.2 | 84% | 0.843 | 66% | 0.664 | S | S | * | * | trans | -74.6 | 86.8 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q613 A617 | Q613-A615 PolarHBondContact O-N 2.77Å; A615-A617 PolarHBondContact O-N 3.2Å | ||
| 616 | V | 47.7 | Very low | 58.7 | Low | 119 Ų | 119 | 117.5 Ų | 117.5 | 72% | 0.721 | 67% | 0.674 | S | S | * | * | trans | -64.9 | 99.3 | 171 | -178.3 | 0 | 0 | 0 | 0 | 109.2 | P614 T618 | P614-V616 PolarHBondContact O-N 3.18Å; V616-T618 HydrophobicContact CG1-CG2 4.27Å; V616-T618 PolarHBondContact O-N 3.28Å | ||
| 617 | A | 39 | Very low | 56.4 | Low | 92 Ų | 92 | 125.1 Ų | 125.1 | 76% | 0.76 | 69% | 0.694 | S | S | * | * | trans | -69.7 | 88 | 178.6 | 0 | 0 | 0 | 0 | 0 | 110.7 | A615 S619 | A615-A617 PolarHBondContact O-N 3.2Å; A617-S619 PolarHBondContact O-N 3.46Å | ||
| 618 | T | 44.9 | Very low | 54.2 | Low | 121 Ų | 121 | 132.4 Ų | 132.4 | 74% | 0.742 | 72% | 0.722 | S | S | * | * | trans | -71 | 88.4 | 178.8 | 43.2 | 0 | 0 | 0 | 0 | 111.3 | V616 A620 | V616-T618 HydrophobicContact CG1-CG2 4.27Å; V616-T618 PolarHBondContact O-N 3.28Å; T618-A620 PolarHBondContact O-N 3.3Å | ||
| 619 | S | 41.1 | Very low | 51.9 | Low | 119 Ų | 119 | 138.8 Ų | 138.8 | 83% | 0.832 | 74% | 0.744 | S | S | * | * | trans | -71 | 71.7 | 174.5 | 50.1 | 0 | 0 | 0 | 0 | 111.7 | A617 G621 | A617-S619 PolarHBondContact O-N 3.46Å; S619-G621 PolarHBondContact O-N 3.42Å | ||
| 620 | A | 44 | Very low | 49.7 | Very low | 92 Ų | 92 | 144.2 Ų | 144.2 | 76% | 0.76 | 77% | 0.769 | S | S | * | * | trans | -68.2 | 68.5 | 179 | 0 | 0 | 0 | 0 | 0 | 112.8 | T618 K622 | T618-A620 PolarHBondContact O-N 3.3Å; A620-K622 PolarHBondContact O-N 2.6Å | ||
| 621 | G | 37.7 | Very low | 47.7 | Very low | 75 Ų | 75 | 149.9 Ų | 149.9 | 77% | 0.773 | 79% | 0.786 | S | S | * | * | trans | -72.2 | 85.9 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.9 | S619 K623 | S619-G621 PolarHBondContact O-N 3.42Å; G621-K623 PolarHBondContact O-N 3.14Å | ||
| 622 | K | 46.3 | Very low | 45.5 | Very low | 196 Ų | 196 | 155.6 Ų | 155.6 | 85% | 0.852 | 81% | 0.808 | S | S | * | * | trans | -59.5 | 117.1 | 170.6 | -62.8 | 174.8 | -179.3 | 175.6 | 0 | 111.7 | A620 | A620-K622 PolarHBondContact O-N 2.6Š| ||
| 623 | K | 39.6 | Very low | 43.7 | Very low | 188 Ų | 188 | 157.2 Ų | 157.2 | 82% | 0.817 | 83% | 0.825 | S | S | * | * | trans | -171.9 | 102.4 | 148.1 | -103.8 | 146.7 | -172 | 176.3 | 0 | 111.8 | G621 | G621-K623 PolarHBondContact O-N 3.14Š| ||
| 624 | T | 42.8 | Very low | 42.9 | Very low | 122 Ų | 122 | 158 Ų | 158 | 75% | 0.748 | 83% | 0.833 | S | S | * | * | 95.4 | 122.8 | 90.7 | 48.8 | 0 | 0 | 0 | 0 | 113.6 | |||||
| 625 | D | 43.8 | Very low | 42.5 | Very low | 158 Ų | 158 | 160.3 Ų | 160.3 | 85% | 0.845 | 84% | 0.838 | S | S | * | * | trans | -46.2 | 144.6 | 167.9 | -74.6 | -90.2 | 0 | 0 | 0 | 114.6 | ||||
| 626 | K | 44.3 | Very low | 42.4 | Very low | 201 Ų | 201 | 163.5 Ų | 163.5 | 87% | 0.874 | 84% | 0.838 | S | S | * | * | trans | -126.1 | 116.5 | 153.7 | -75.9 | -171.1 | 176.4 | 177.9 | 0 | 110 | ||||
| 627 | R | 42.2 | Very low | 42.1 | Very low | 241 Ų | 241 | 166.1 Ų | 166.1 | 91% | 0.909 | 84% | 0.844 | S | S | * | * | trans | -57.9 | 137 | -175.8 | -77.7 | 174.8 | 163.7 | 172.1 | -7.4 | 112.6 | K629 | R627-K629 PolarHBondContact O-N 3.08Š| ||
| 628 | K | 44.8 | Very low | 42.3 | Very low | 206 Ų | 206 | 170.8 Ų | 170.8 | 90% | 0.896 | 85% | 0.85 | S | S | * | * | trans | -42.8 | 126.3 | 155.6 | -171.3 | 178.8 | -172.9 | 178.5 | 0 | 110.1 | ||||
| 629 | K | 41.6 | Very low | 42.2 | Very low | 199 Ų | 199 | 174.1 Ų | 174.1 | 87% | 0.865 | 86% | 0.857 | S | S | * | * | trans | -115.2 | 127 | 166.6 | -173.4 | 175.3 | 179.9 | -179.8 | 0 | 108.6 | R627 | R627-K629 PolarHBondContact O-N 3.08Š| ||
| 630 | E | 41.7 | Very low | 42.2 | Very low | 177 Ų | 177 | 178 Ų | 178 | 83% | 0.827 | 86% | 0.858 | S | S | * | * | trans | -65.3 | 148.6 | 176.5 | -57.6 | 172.2 | 121 | 0 | 0 | 110.9 | ||||
| 631 | K | 45.1 | Very low | 42.1 | Very low | 199 Ų | 199 | 184.6 Ų | 184.6 | 87% | 0.865 | 87% | 0.866 | S | S | * | * | trans | -114.6 | 127.5 | 153 | -164.8 | -179.3 | 178 | -168.8 | 0 | 107.9 | ||||
| 632 | K | 39.6 | Very low | 42.5 | Very low | 187 Ų | 187 | 193.8 Ų | 193.8 | 81% | 0.813 | 87% | 0.874 | S | S | * | * | trans | -121.5 | 144.4 | 179.2 | -172.9 | 178 | -175.2 | 176.7 | 0 | 106.7 | ||||
| 633 | Q | 38 | Very low | 42.1 | Very low | 251 Ų | 251 | 193.5 Ų | 193.5 | 100% | 1.173 | 88% | 0.876 | S | S | * | * | trans | 70.6 | 0 | -161.7 | -51.3 | -178.1 | -71.2 | 0 | 0 | 112.4 |
Retrieved 633 of 633 residues in 76 ms
(Link to these results)