| 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 | 53.4 | Low | 63.5 | Low | 213 Ų | 213 | 123.7 Ų | 123.7 | 100% | 1.049 | 64% | 0.638 | S | S | * | * | 0 | -36.6 | 0 | -147.7 | 165.3 | 70.9 | 0 | 0 | 111.2 | L3 R4 | M1-L3 PolarHBondContact O-N 3.26Å; M1-R4 PolarHBondContact O-N 3.43Å | |||
| 2 | E | 54.3 | Low | 63.3 | Low | 167 Ų | 167 | 123.6 Ų | 123.6 | 78% | 0.78 | 64% | 0.638 | S | S | * | * | H | α-helix | trans | -59.3 | -40.1 | 177.6 | -65.9 | -177.8 | 156.3 | 0 | 0 | 114.7 | R4 L5 S6 | E2-R4 PolarHBondContact O-N 3.42Å; E2-L5 PolarHBondContact O-N 3.19Å; E2-L5 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-N 3.31Å; E2-S6 PolarHBondContact O-OG 3.21Å |
| 3 | L | 53.7 | Low | 62.9 | Low | 146 Ų | 146 | 126.1 Ų | 126.1 | 76% | 0.764 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -62.4 | -28.1 | 179.4 | -147.7 | 82.7 | 0 | 0 | 0 | 113.4 | M1 V7 | M1-L3 PolarHBondContact O-N 3.26Å; L3-V7 VanDerWaalsContact O-CG2 3.26Å; L3-V7 WeakPolarHBondContact O-CG2 3.26Å; L3-V7 PolarHBondContact O-N 3.09Å |
| 4 | R | 60.2 | Low | 62.4 | Low | 204 Ų | 204 | 123.8 Ų | 123.8 | 77% | 0.77 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -76.6 | -32.4 | 177.3 | -70.3 | -173.2 | 178.5 | -177.2 | -1.1 | 111.9 | M1 E2 C8 | M1-R4 PolarHBondContact O-N 3.43Å; E2-R4 PolarHBondContact O-N 3.42Å; R4-C8 WeakPolarHBondContact O-CB 3.44Å; R4-C8 PolarHBondContact O-N 3.26Å; R4-C8 PolarHBondContact O-SG 3.47Å |
| 5 | L | 66 | Low | 61.8 | Low | 128 Ų | 128 | 121 Ų | 121 | 67% | 0.67 | 64% | 0.643 | S | S | * | * | H | α-helix | trans | -69.7 | -43.1 | 177.9 | -145.3 | 86.2 | 0 | 0 | 0 | 110.7 | E2 V7 C8 V9 | E2-L5 PolarHBondContact O-N 3.19Å; E2-L5 VanDerWaalsContact O-N 3.09Å; L5-V7 PolarHBondContact O-N 3.28Å; L5-C8 PolarHBondContact O-N 2.9Å; L5-V9 VanDerWaalsContact O-CG2 3.3Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.46Å |
| 6 | S | 67.2 | Low | 61 | Low | 70 Ų | 70 | 116.7 Ų | 116.7 | 49% | 0.49 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.1 | -38 | 176.7 | -54.2 | 0 | 0 | 0 | 0 | 112.7 | E2 V9 L10 | E2-S6 PolarHBondContact O-N 3.31Å; E2-S6 PolarHBondContact O-OG 3.21Å; S6-V9 PolarHBondContact O-N 2.89Å; S6-L10 WeakPolarHBondContact O-CB 3.36Å; S6-L10 WeakPolarHBondContact O-CD1 3.5Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.46Å |
| 7 | V | 72.1 | Confident | 60.2 | Low | 77 Ų | 77 | 119.9 Ų | 119.9 | 47% | 0.467 | 64% | 0.64 | S | S | . | * | H | α-helix | trans | -68.5 | -39.5 | 174.8 | 172.4 | 0 | 0 | 0 | 0 | 111.5 | L3 L5 L10 L11 | L3-V7 VanDerWaalsContact O-CG2 3.26Å; L3-V7 WeakPolarHBondContact O-CG2 3.26Å; L3-V7 PolarHBondContact O-N 3.09Å; L5-V7 PolarHBondContact O-N 3.28Å; V7-L10 PolarHBondContact O-N 3.48Å; V7-L11 HydrophobicContact CG1-CD1 3.87Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 VanDerWaalsContact O-CB 3.3Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 VanDerWaalsContact O-CG 3.25Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.27Å |
| 8 | C | 70.2 | Confident | 59.4 | Low | 71 Ų | 71 | 121.3 Ų | 121.3 | 48% | 0.48 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -66.3 | -37.5 | 174 | -71.7 | 0 | 0 | 0 | 0 | 112.8 | R4 L5 L11 L12 | R4-C8 WeakPolarHBondContact O-CB 3.44Å; R4-C8 PolarHBondContact O-N 3.26Å; R4-C8 PolarHBondContact O-SG 3.47Å; L5-C8 PolarHBondContact O-N 2.9Å; C8-L11 PolarHBondContact O-N 2.92Å; C8-L12 WeakPolarHBondContact O-CB 3.48Å; C8-L12 WeakPolarHBondContact O-CD1 3.3Å; C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.02Å |
| 9 | V | 71.7 | Confident | 59.1 | Low | 66 Ų | 66 | 119.8 Ų | 119.8 | 40% | 0.4 | 65% | 0.648 | S | S | . | * | H | α-helix | trans | -69.2 | -42.4 | 175.2 | 172.2 | 0 | 0 | 0 | 0 | 111 | L5 S6 L12 F13 | L5-V9 VanDerWaalsContact O-CG2 3.3Å; L5-V9 WeakPolarHBondContact O-CG2 3.3Å; L5-V9 PolarHBondContact O-N 3.46Å; S6-V9 PolarHBondContact O-N 2.89Å; V9-L12 WeakPolarHBondContact O-CB 3.39Å; V9-L12 PolarHBondContact O-N 2.84Å; V9-F13 HydrophobicContact CG1-CD2 3.83Å; V9-F13 HydrophobicContact CG1-CE2 3.83Å; V9-F13 VanDerWaalsContact O-CD2 3.28Å; V9-F13 WeakPolarHBondContact O-CD2 3.43Å; V9-F13 PolarHBondContact O-N 2.86Å |
| 10 | L | 67.1 | Low | 59.5 | Low | 109 Ų | 109 | 121.8 Ų | 121.8 | 57% | 0.571 | 66% | 0.658 | S | S | * | * | H | α-helix | trans | -64.1 | -38.6 | 173.3 | -80.4 | 160.3 | 0 | 0 | 0 | 112 | S6 V7 L12 F13 C14 | S6-L10 WeakPolarHBondContact O-CB 3.36Å; S6-L10 WeakPolarHBondContact O-CD1 3.5Å; S6-L10 WeakPolarHBondContact O-CG 3.41Å; S6-L10 PolarHBondContact O-N 3.46Å; V7-L10 PolarHBondContact O-N 3.48Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L10-F13 CarbonylContact O-C 3.6Å; L10-F13 PolarHBondContact O-N 2.89Å; L10-C14 WeakPolarHBondContact O-CB 3.28Å; L10-C14 PolarHBondContact O-N 3.26Å; L10-C14 PolarHBondContact O-SG 2.8Å |
| 11 | L | 63.3 | Low | 60.7 | Low | 110 Ų | 110 | 116.9 Ų | 116.9 | 58% | 0.576 | 64% | 0.636 | S | S | * | * | H | α-helix | trans | -66.3 | -32.8 | 172.3 | -77.4 | 165.6 | 0 | 0 | 0 | 112.3 | V7 C8 A15 | V7-L11 HydrophobicContact CG1-CD1 3.87Å; V7-L11 HydrophobicContact CG1-CG 4.43Å; V7-L11 VanDerWaalsContact O-CB 3.3Å; V7-L11 WeakPolarHBondContact O-CB 3.48Å; V7-L11 VanDerWaalsContact O-CG 3.25Å; V7-L11 WeakPolarHBondContact O-CG 3.41Å; V7-L11 PolarHBondContact O-N 3.27Å; C8-L11 PolarHBondContact O-N 2.92Å; L11-A15 WeakPolarHBondContact O-CB 3.06Å; L11-A15 PolarHBondContact O-N 3.18Å |
| 12 | L | 60.6 | Low | 62.7 | Low | 122 Ų | 122 | 107.1 Ų | 107.1 | 64% | 0.639 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -69.4 | -35.9 | 171.8 | -84 | 157.4 | 0 | 0 | 0 | 112.2 | C8 V9 L10 A16 | C8-L12 WeakPolarHBondContact O-CB 3.48Å; C8-L12 WeakPolarHBondContact O-CD1 3.3Å; C8-L12 WeakPolarHBondContact O-CG 3.25Å; C8-L12 PolarHBondContact O-N 3.02Å; V9-L12 WeakPolarHBondContact O-CB 3.39Å; V9-L12 PolarHBondContact O-N 2.84Å; L10-L12 VanDerWaalsContact C-N 3.33Å; L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.26Å; L12-A16 PolarHBondContact O-N 2.77Å |
| 13 | F | 58.4 | Low | 64.8 | Low | 156 Ų | 156 | 102.3 Ų | 102.3 | 68% | 0.684 | 57% | 0.567 | S | S | * | * | H | α-helix | trans | -75.8 | -28.4 | 173.1 | -84.1 | -74.9 | 0 | 0 | 0 | 113.2 | V9 L10 A16 | V9-F13 HydrophobicContact CG1-CD2 3.83Å; V9-F13 HydrophobicContact CG1-CE2 3.83Å; V9-F13 VanDerWaalsContact O-CD2 3.28Å; V9-F13 WeakPolarHBondContact O-CD2 3.43Å; V9-F13 PolarHBondContact O-N 2.86Å; L10-F13 CarbonylContact O-C 3.6Å; L10-F13 PolarHBondContact O-N 2.89Å; F13-A16 CarbonylContact O-C 3.52Å |
| 14 | C | 56.2 | Low | 66.9 | Low | 94 Ų | 94 | 95.4 Ų | 95.4 | 64% | 0.635 | 53% | 0.53 | S | S | * | . | H | α-helix | trans | -80.3 | -27.2 | 171.1 | -67.8 | 0 | 0 | 0 | 0 | 112.7 | L10 | L10-C14 WeakPolarHBondContact O-CB 3.28Å; L10-C14 PolarHBondContact O-N 3.26Å; L10-C14 PolarHBondContact O-SG 2.8Å |
| 15 | A | 53.2 | Low | 68.8 | Low | 82 Ų | 82 | 85.7 Ų | 85.7 | 68% | 0.678 | 49% | 0.493 | S | S | * | . | H | α-helix | trans | -82 | -21.8 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L11 E17 | L11-A15 WeakPolarHBondContact O-CB 3.06Å; L11-A15 PolarHBondContact O-N 3.18Å; A15-E17 PolarHBondContact O-N 3.13Å; A15-E17 VanDerWaalsContact O-N 3.13Å |
| 16 | A | 48.5 | Very low | 70.3 | Confident | 52 Ų | 52 | 79.6 Ų | 79.6 | 43% | 0.43 | 46% | 0.462 | S | S | . | . | trans | -80.4 | 58.7 | 158.9 | 0 | 0 | 0 | 0 | 0 | 109.3 | L12 F13 N18 | L12-A16 VanDerWaalsContact O-CB 3.26Å; L12-A16 WeakPolarHBondContact O-CB 3.26Å; L12-A16 PolarHBondContact O-N 2.77Å; F13-A16 CarbonylContact O-C 3.52Å; A16-N18 PolarHBondContact O-N 2.93Å | ||
| 17 | E | 47.4 | Very low | 71.8 | Confident | 171 Ų | 171 | 76.2 Ų | 76.2 | 80% | 0.799 | 44% | 0.438 | S | S | * | . | trans | -54.3 | 109.4 | 141.2 | -85 | -173.1 | 165.7 | 0 | 0 | 104 | A15 S19 | A15-E17 PolarHBondContact O-N 3.13Å; A15-E17 VanDerWaalsContact O-N 3.13Å; E17-S19 PolarHBondContact O-N 2.73Å | ||
| 18 | N | 46.8 | Very low | 72.9 | Confident | 145 Ų | 145 | 73.1 Ų | 73.1 | 78% | 0.775 | 42% | 0.418 | S | S | * | . | trans | -50 | 103.2 | 165.4 | -80.3 | -34.1 | 0 | 0 | 0 | 104.7 | A16 N20 | A16-N18 PolarHBondContact O-N 2.93Å; N18-N20 PolarHBondContact O-N 2.75Å | ||
| 19 | S | 52.9 | Low | 74 | Confident | 93 Ų | 93 | 69.7 Ų | 69.7 | 65% | 0.65 | 40% | 0.395 | S | S | * | . | trans | -63.1 | 93.2 | 169.3 | 60.5 | 0 | 0 | 0 | 0 | 103.6 | E17 G21 | E17-S19 PolarHBondContact O-N 2.73Å; S19-G21 PolarHBondContact O-N 2.71Å | ||
| 20 | N | 67.3 | Low | 74.8 | Confident | 159 Ų | 159 | 66.8 Ų | 66.8 | 85% | 0.85 | 38% | 0.377 | S | S | * | . | trans | -78.2 | 71.6 | -174.8 | -152 | 29.9 | 0 | 0 | 0 | 106 | N18 G22 | N18-N20 PolarHBondContact O-N 2.75Å; N20-G22 PolarHBondContact O-N 3.09Å | ||
| 21 | G | 85.2 | Confident | 75.8 | Confident | 20 Ų | 20 | 61.7 Ų | 61.7 | 21% | 0.206 | 35% | 0.351 | C | S | . | . | P | Polyproline II helix | trans | -66 | 120.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 108.8 | S19 G48 | S19-G21 PolarHBondContact O-N 2.71Å; G21-G48 WeakPolarHBondContact CA-O 3.42Å |
| 22 | G | 95.1 | Very high | 77 | Confident | 7 Ų | 7 | 58.1 Ų | 58.1 | 7% | 0.072 | 34% | 0.335 | C | S | . | . | P | Polyproline II helix | trans | -64.8 | 159.4 | 172.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | N20 H49 Q50 D145 | N20-G22 PolarHBondContact O-N 3.09Å; G22-H49 PolarHBondContact N-ND1 3.28Å; G22-H49 WeakPolarHBondContact O-CA 3.29Å; G22-H49 WeakPolarHBondContact O-CB 3.42Å; G22-Q50 PolarHBondContact O-N 2.89Å; G22-D145 WeakPolarHBondContact CA-OD2 2.92Å |
| 23 | K | 97.6 | Very high | 78.5 | Confident | 67 Ų | 67 | 53.9 Ų | 53.9 | 29% | 0.291 | 31% | 0.312 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.5 | 116.6 | 173.7 | -68.8 | -179.1 | 175.3 | -177.1 | 0 | 110 | Q50 G142 N143 Y144 D145 | K23-Q50 CarbonylContact C-O 3.55Å; K23-Q50 WeakPolarHBondContact CA-O 3.48Å; K23-Q50 HydrophobicContact CG-CB 4.14Å; K23-G142 WeakPolarHBondContact CD-O 3.35Å; K23-G142 PolarHBondContact NZ-O 3.17Å; K23-G142 VanDerWaalsContact NZ-O 3.09Å; K23-N143 WeakPolarHBondContact CD-O 3.47Å; K23-Y144 HydrophobicContact CB-CD1 4Å; K23-D145 PolarHBondContact N-OD2 3.24Å; K23-D145 PolarHBondContact O-N 2.96Å |
| 24 | I | 98.6 | Very high | 80.2 | Confident | 0 Ų | 0 | 46.9 Ų | 46.9 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -110.2 | 118.7 | -174.2 | -61.3 | 172.5 | 0 | 0 | 0 | 108.5 | V26 L44 H49 Q50 V51 T52 L146 F148 I463 M467 | I24-V26 HydrophobicContact CG2-CG2 3.98Å; I24-L44 HydrophobicContact CD1-CB 4.32Å; I24-L44 HydrophobicContact CD1-CD1 3.86Å; I24-L44 HydrophobicContact CD1-CD2 3.96Å; I24-L44 HydrophobicContact CD1-CG 4.27Å; I24-H49 HydrophobicContact CD1-CB 3.94Å; I24-Q50 PolarHBondContact N-O 3.44Å; I24-V51 HydrophobicContact CB-CG2 4.4Å; I24-T52 PolarHBondContact O-N 2.89Å; I24-L146 HydrophobicContact CB-CD1 4.48Å; I24-L146 HydrophobicContact CG1-CD1 4.35Å; I24-L146 HydrophobicContact CG1-CG 4.39Å; I24-L146 HydrophobicContact CG2-CD1 3.78Å; I24-F148 HydrophobicContact CG2-CB 4.24Å; I24-I463 HydrophobicContact CD1-CG2 3.99Å; I24-M467 HydrophobicContact CD1-CE 4.03Å; I24-M467 HydrophobicContact CD1-SD 4.18Å; I24-M467 HydrophobicContact CG1-CE 4.38Å; I24-M467 HydrophobicContact CG1-SD 3.87Å |
| 25 | L | 98.7 | Very high | 81.8 | Confident | 0 Ų | 0 | 45.8 Ų | 45.8 | 0% | 0 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.9 | 130.8 | 168.7 | -178.7 | 59.3 | 0 | 0 | 0 | 108.9 | T52 L54 L139 Y144 L146 L147 F148 L163 | L25-T52 CarbonylContact C-O 3.57Å; L25-L54 HydrophobicContact CD1-CD1 4.25Å; L25-L54 HydrophobicContact CD1-CD2 4.44Å; L25-L54 HydrophobicContact CD1-CG 4.02Å; L25-L139 HydrophobicContact CD1-CD2 3.87Å; L25-L139 HydrophobicContact CD2-CD1 4.41Å; L25-L139 HydrophobicContact CD2-CD2 4.03Å; L25-Y144 HydrophobicContact CB-CD1 3.72Å; L25-Y144 HydrophobicContact CB-CD2 4.03Å; L25-Y144 HydrophobicContact CB-CE1 4.05Å; L25-Y144 HydrophobicContact CB-CE2 4.33Å; L25-Y144 HydrophobicContact CB-CG 3.72Å; L25-Y144 HydrophobicContact CD1-CE1 4.31Å; L25-Y144 HydrophobicContact CD1-CE2 4.16Å; L25-Y144 HydrophobicContact CD2-CD2 4.09Å; L25-Y144 HydrophobicContact CD2-CE2 4.18Å; L25-Y144 HydrophobicContact CG-CD2 4.5Å; L25-Y144 HydrophobicContact CG-CE2 4.47Å; L25-L146 PolarHBondContact N-O 3.26Å; L25-L147 HydrophobicContact CD2-CD1 3.98Å; L25-L147 HydrophobicContact CD2-CG 4.5Å; L25-L147 HydrophobicContact CG-CD1 4.42Å; L25-L147 HydrophobicContact CG-CG 4.47Å; L25-L147 CarbonylContact O-C 3.58Å; L25-L147 VanDerWaalsContact O-CA 3.32Å; L25-L147 WeakPolarHBondContact O-CA 3.37Å; L25-F148 PolarHBondContact O-N 3.13Å; L25-L163 HydrophobicContact CD2-CD1 3.75Å |
| 26 | V | 98.4 | Very high | 83.7 | Confident | 0 Ų | 0 | 42 Ų | 42 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 125.1 | 179.1 | -172.8 | 0 | 0 | 0 | 0 | 109.5 | I24 M37 L41 V51 T52 V53 L54 F148 | I24-V26 HydrophobicContact CG2-CG2 3.98Å; V26-M37 HydrophobicContact CG1-CE 3.77Å; V26-L41 HydrophobicContact CG1-CD1 4.15Å; V26-L41 HydrophobicContact CG1-CD2 4.37Å; V26-L41 HydrophobicContact CG2-CD1 4.23Å; V26-L41 HydrophobicContact CG2-CD2 3.71Å; V26-V51 HydrophobicContact CG2-CG1 3.71Å; V26-T52 PolarHBondContact N-O 2.82Å; V26-V53 HydrophobicContact CB-CB 4.35Å; V26-V53 HydrophobicContact CB-CG1 4.31Å; V26-V53 HydrophobicContact CB-CG2 4.02Å; V26-V53 HydrophobicContact CG1-CG1 4.4Å; V26-V53 HydrophobicContact CG2-CG2 4.19Å; V26-L54 PolarHBondContact O-N 3.27Å; V26-F148 VanDerWaalsContact CA-O 3.31Å; V26-F148 WeakPolarHBondContact CA-O 3.22Å; V26-F148 HydrophobicContact CG1-CD1 4.22Å; V26-F148 HydrophobicContact CG2-CB 4.48Å; V26-F148 HydrophobicContact CG2-CD1 4.49Å |
| 27 | W | 97.9 | Very high | 85.7 | Confident | 0 Ų | 0 | 39.6 Ų | 39.6 | 0% | 0 | 22% | 0.216 | C | C | . | . | trans | -70.9 | 146.1 | 172.4 | -164.7 | -107.2 | 0 | 0 | 0 | 110.6 | L54 L126 V129 L147 F148 A149 Y153 S154 T159 | W27-L54 HydrophobicContact CE3-CD1 3.62Å; W27-L54 HydrophobicContact CZ3-CD1 3.75Å; W27-L126 HydrophobicContact CZ2-CD2 4.2Å; W27-V129 HydrophobicContact CH2-CB 3.87Å; W27-V129 HydrophobicContact CH2-CG1 4.02Å; W27-V129 HydrophobicContact CH2-CG2 3.84Å; W27-V129 HydrophobicContact CZ3-CB 4.21Å; W27-V129 HydrophobicContact CZ3-CG1 3.85Å; W27-V129 HydrophobicContact CZ3-CG2 4.17Å; W27-L147 HydrophobicContact CB-CD2 4.35Å; W27-F148 PolarHBondContact N-O 3.1Å; W27-A149 HydrophobicContact CB-CB 3.58Å; W27-A149 HydrophobicContact CG-CB 4.33Å; W27-Y153 PolarHBondContact NE1-O 3.15Å; W27-S154 WeakPolarHBondContact CZ2-O 3.4Å; W27-S154 PolarHBondContact NE1-O 3.45Å; W27-S154 VanDerWaalsContact NE1-O 3.17Å; W27-T159 HydrophobicContact CZ3-CG2 4.19Å; W27-T159 WeakPolarHBondContact CZ3-OG1 3.46Å | ||
| 28 | Y | 95 | Very high | 87.9 | Confident | 11 Ų | 11 | 33.6 Ų | 33.6 | 4% | 0.043 | 19% | 0.188 | C | C | . | . | trans | -64.4 | 156 | -178.3 | 82.2 | -81.3 | 0 | 0 | 0 | 111.7 | L54 P56 F75 F125 Y153 | Y28-L54 WeakPolarHBondContact CA-O 3.37Å; Y28-L54 WeakPolarHBondContact CB-O 3.14Å; Y28-P56 HydrophobicContact CD2-CG 4.01Å; Y28-P56 HydrophobicContact CG-CG 4.44Å; Y28-F75 HydrophobicContact CD1-CE1 4.11Å; Y28-F75 AromaticContact CD1-CZ 3.74Å; Y28-F75 HydrophobicContact CD1-CZ 3.74Å; Y28-F75 HydrophobicContact CE1-CZ 4.08Å; Y28-F75 HydrophobicContact CG-CE1 4.35Å; Y28-F75 HydrophobicContact CG-CZ 4.17Å; Y28-F125 HydrophobicContact CD2-CD1 4.38Å; Y28-F125 HydrophobicContact CE1-CB 4.31Å; Y28-F125 HydrophobicContact CE1-CD1 4.12Å; Y28-F125 AromaticContact CE2-CD1 3.55Å; Y28-F125 HydrophobicContact CE2-CD1 3.55Å; Y28-F125 AromaticContact CE2-CE1 3.85Å; Y28-F125 HydrophobicContact CE2-CE1 3.85Å; Y28-F125 HydrophobicContact CE2-CG 4.41Å; Y28-F125 AromaticContact CZ-CD1 3.4Å; Y28-F125 VanDerWaalsContact CZ-CD1 3.4Å; Y28-F125 AromaticContact CZ-CG 3.93Å; Y28-F125 WeakPolarHBondContact OH-CB 3.4Å; Y28-F125 VanDerWaalsContact OH-CD1 3.31Å; Y28-F125 WeakPolarHBondContact OH-CD1 3.34Å; Y28-F125 WeakPolarHBondContact OH-CG 3.48Å; Y28-Y153 AromaticContact CE2-CD1 3.98Å; Y28-Y153 HydrophobicContact CE2-CD1 3.98Å | ||
| 29 | S | 93.3 | Very high | 90.1 | Very high | 0 Ų | 0 | 28 Ų | 28 | 0% | 0 | 16% | 0.159 | C | C | . | . | trans | -152.9 | 166.3 | 172.1 | 57.3 | 0 | 0 | 0 | 0 | 109.8 | W34 M62 | S29-W34 WeakPolarHBondContact OG-CA 3.18Å; S29-W34 PolarHBondContact OG-N 3.27Å; S29-M62 WeakPolarHBondContact O-CG 3.47Å | ||
| 30 | E | 90.1 | Very high | 92.1 | Very high | 5 Ų | 5 | 23.6 Ų | 23.6 | 2% | 0.023 | 13% | 0.128 | C | C | . | . | trans | -120.3 | 169.7 | -179.3 | -67.8 | -72.6 | 169.6 | 0 | 0 | 112 | S32 H33 W34 S59 L60 F61 Y153 | E30-S32 PolarHBondContact O-N 3.35Å; E30-H33 WeakPolarHBondContact O-CB 3.44Å; E30-H33 PolarHBondContact O-N 3Å; E30-H33 VanDerWaalsContact O-N 3.15Å; E30-W34 PolarHBondContact O-N 3.21Å; E30-S59 VanDerWaalsContact OE1-CA 3.29Å; E30-S59 WeakPolarHBondContact OE1-CA 3.36Å; E30-S59 VanDerWaalsContact OE1-CB 3.29Å; E30-S59 WeakPolarHBondContact OE1-CB 3.44Å; E30-S59 PolarHBondContact OE1-OG 2.75Å; E30-S59 PolarHBondContact OE2-OG 2.6Å; E30-S59 VanDerWaalsContact OE2-OG 3.09Å; E30-L60 PolarHBondContact OE2-N 3.14Å; E30-F61 HydrophobicContact CB-CD2 4.25Å; E30-F61 WeakPolarHBondContact OE2-CD2 3.35Å; E30-F61 PolarHBondContact OE2-N 3.12Å; E30-Y153 HydrophobicContact CB-CE1 4.29Å; E30-Y153 WeakPolarHBondContact CB-OH 3.33Å; E30-Y153 HydrophobicContact CG-CE1 4.31Å; E30-Y153 PolarHBondContact N-OH 2.96Å | ||
| 31 | A | 88.4 | Confident | 93.5 | Very high | 2 Ų | 2 | 16 Ų | 16 | 2% | 0.017 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | 50.7 | -132.4 | 168.5 | 0 | 0 | 0 | 0 | 0 | 114.2 | H33 W34 I35 F61 M311 | A31-H33 PolarHBondContact O-N 3.05Å; A31-W34 PolarHBondContact O-N 3.42Å; A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3.03Å; A31-I35 VanDerWaalsContact O-N 3.15Å; A31-F61 VanDerWaalsContact CA-CD2 3.45Å; A31-F61 VanDerWaalsContact CA-CG 3.41Å; A31-F61 HydrophobicContact CB-CD1 4.38Å; A31-F61 HydrophobicContact CB-CD2 3.72Å; A31-F61 HydrophobicContact CB-CE1 4.24Å; A31-F61 HydrophobicContact CB-CE2 3.57Å; A31-F61 HydrophobicContact CB-CG 4.14Å; A31-F61 HydrophobicContact CB-CZ 3.84Å; A31-F61 VanDerWaalsContact N-CG 3.31Å; A31-M311 HydrophobicContact CB-CE 4.26Å; A31-M311 HydrophobicContact CB-CG 4.08Å; A31-M311 HydrophobicContact CB-SD 4.09Å |
| 32 | S | 87.8 | Confident | 93.9 | Very high | 35 Ų | 35 | 18 Ų | 18 | 25% | 0.245 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -65.9 | -23.2 | -178.1 | 51.4 | 0 | 0 | 0 | 0 | 113.7 | E30 N36 N377 | E30-S32 PolarHBondContact O-N 3.35Å; S32-N36 WeakPolarHBondContact O-CB 3.07Å; S32-N36 PolarHBondContact O-N 3.16Å; S32-N377 PolarHBondContact O-ND2 2.61Å |
| 33 | H | 92.6 | Very high | 93.9 | Very high | 32 Ų | 32 | 18.6 Ų | 18.6 | 15% | 0.148 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -68.3 | -48 | 176.7 | -64.9 | -115.3 | 0 | 0 | 0 | 109.6 | E30 A31 N36 M37 D150 Y153 R258 | E30-H33 WeakPolarHBondContact O-CB 3.44Å; E30-H33 PolarHBondContact O-N 3Å; E30-H33 VanDerWaalsContact O-N 3.15Å; A31-H33 PolarHBondContact O-N 3.05Å; H33-N36 PolarHBondContact O-N 3.43Å; H33-M37 WeakPolarHBondContact O-CG 3.31Å; H33-M37 PolarHBondContact O-N 3.39Å; H33-D150 IonicContact CE1-OD2 3.35Å; H33-D150 IonicContact CG-OD2 3.58Å; H33-D150 IonicContact ND1-OD1 3.15Å; H33-D150 IonicContact ND1-OD2 3.71Å; H33-D150 PolarHBondContact ND1-OD2 3.02Å; H33-Y153 HydrophobicContact CB-CE2 4.22Å; H33-R258 PolarHBondContact ND1-NH2 3.09Å |
| 34 | W | 93.1 | Very high | 93.9 | Very high | 9 Ų | 9 | 15.4 Ų | 15.4 | 3% | 0.034 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -61.3 | -48 | 174.6 | 175.1 | -125.2 | 0 | 0 | 0 | 112.5 | S29 E30 A31 N36 M37 K38 L41 V53 M62 F70 Y72 | S29-W34 WeakPolarHBondContact OG-CA 3.18Å; S29-W34 PolarHBondContact OG-N 3.27Å; E30-W34 PolarHBondContact O-N 3.21Å; A31-W34 PolarHBondContact O-N 3.42Å; W34-N36 PolarHBondContact O-N 2.87Å; W34-M37 PolarHBondContact O-N 3.01Å; W34-K38 HydrophobicContact CZ2-CD 4.41Å; W34-K38 PolarHBondContact O-N 3.05Å; W34-L41 HydrophobicContact CH2-CD1 4.05Å; W34-L41 HydrophobicContact CZ3-CD1 3.79Å; W34-V53 HydrophobicContact CH2-CG1 3.81Å; W34-V53 HydrophobicContact CH2-CG2 4.25Å; W34-V53 HydrophobicContact CZ3-CG1 3.74Å; W34-M62 HydrophobicContact CD2-CE 3.8Å; W34-M62 HydrophobicContact CD2-CG 4.12Å; W34-M62 HydrophobicContact CE3-CE 3.66Å; W34-M62 HydrophobicContact CG-CG 3.97Å; W34-M62 HydrophobicContact CH2-CE 3.79Å; W34-M62 HydrophobicContact CZ2-CE 3.91Å; W34-M62 HydrophobicContact CZ3-CE 3.66Å; W34-F70 AromaticContact CH2-CE2 3.63Å; W34-F70 HydrophobicContact CH2-CE2 3.63Å; W34-F70 AromaticContact CH2-CZ 3.51Å; W34-F70 HydrophobicContact CH2-CZ 3.51Å; W34-F70 HydrophobicContact CZ2-CE2 4.02Å; W34-F70 AromaticContact CZ2-CZ 3.76Å; W34-F70 HydrophobicContact CZ2-CZ 3.76Å; W34-Y72 HydrophobicContact CH2-CE1 4.12Å; W34-Y72 AromaticContact CZ2-CE1 3.99Å; W34-Y72 HydrophobicContact CZ2-CE1 3.99Å; W34-Y72 WeakPolarHBondContact CZ2-OH 3.46Å |
| 35 | I | 90.3 | Very high | 93.8 | Very high | 71 Ų | 71 | 16.9 Ų | 16.9 | 36% | 0.364 | 9% | 0.089 | S | C | . | . | H | α-helix | trans | -58.3 | -37.4 | 179 | -66.5 | 167.1 | 0 | 0 | 0 | 111.3 | A31 P39 | A31-I35 WeakPolarHBondContact O-CG1 3.43Å; A31-I35 PolarHBondContact O-N 3.03Å; A31-I35 VanDerWaalsContact O-N 3.15Å; I35-P39 WeakPolarHBondContact O-CD 3.36Å |
| 36 | N | 91.8 | Very high | 93.6 | Very high | 4 Ų | 4 | 21.7 Ų | 21.7 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -73.9 | -38.8 | 179.7 | -179.6 | -88.2 | 0 | 0 | 0 | 112.7 | S32 H33 W34 P39 R258 I279 H280 N377 | S32-N36 WeakPolarHBondContact O-CB 3.07Å; S32-N36 PolarHBondContact O-N 3.16Å; H33-N36 PolarHBondContact O-N 3.43Å; W34-N36 PolarHBondContact O-N 2.87Å; N36-P39 WeakPolarHBondContact O-CD 3.44Å; N36-R258 WeakPolarHBondContact OD1-CD 3.4Å; N36-I279 WeakPolarHBondContact OD1-CD1 3.43Å; N36-I279 WeakPolarHBondContact OD1-CG1 3.38Å; N36-H280 PolarHBondContact ND2-ND1 2.71Å; N36-H280 VanDerWaalsContact ND2-ND1 3.14Å; N36-N377 PolarHBondContact ND2-OD1 2.94Å |
| 37 | M | 92.3 | Very high | 93.4 | Very high | 1 Ų | 1 | 27.4 Ų | 27.4 | 1% | 0.005 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -72.4 | -35.4 | 179.5 | -71.6 | 173.3 | 73 | 0 | 0 | 112.7 | V26 H33 W34 L40 L41 F148 D150 | V26-M37 HydrophobicContact CG1-CE 3.77Å; H33-M37 WeakPolarHBondContact O-CG 3.31Å; H33-M37 PolarHBondContact O-N 3.39Å; W34-M37 PolarHBondContact O-N 3.01Å; M37-L40 WeakPolarHBondContact O-CB 3.03Å; M37-L40 PolarHBondContact O-N 3.29Å; M37-L41 WeakPolarHBondContact O-CG 3.27Å; M37-L41 PolarHBondContact O-N 2.74Å; M37-L41 VanDerWaalsContact O-N 3.08Å; M37-F148 HydrophobicContact CE-CD1 3.5Å; M37-F148 HydrophobicContact CE-CE1 3.27Å; M37-F148 HydrophobicContact CE-CG 4.4Å; M37-F148 HydrophobicContact CE-CZ 4Å; M37-F148 HydrophobicContact CG-CE1 4.27Å; M37-D150 HydrophobicContact SD-CB 4.25Å |
| 38 | K | 92.4 | Very high | 93.2 | Very high | 45 Ų | 45 | 29 Ų | 29 | 20% | 0.196 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -52.4 | -47.5 | -173.7 | -177.1 | 176.3 | -177.1 | 176.8 | 0 | 114.3 | W34 L40 L41 E42 E66 F70 | W34-K38 HydrophobicContact CZ2-CD 4.41Å; W34-K38 PolarHBondContact O-N 3.05Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 2.79Å; K38-L41 WeakPolarHBondContact O-CB 3.45Å; K38-L41 PolarHBondContact O-N 2.79Å; K38-L41 VanDerWaalsContact O-N 3.16Å; K38-E42 WeakPolarHBondContact CE-OE1 3.26Å; K38-E42 WeakPolarHBondContact O-CG 3.34Å; K38-E42 PolarHBondContact O-N 2.86Å; K38-E66 IonicContact NZ-OE2 3.28Å; K38-F70 HydrophobicContact CG-CE1 4.16Å; K38-F70 HydrophobicContact CG-CZ 4.18Å |
| 39 | P | 92.4 | Very high | 93.3 | Very high | 26 Ų | 26 | 29.3 Ų | 29.3 | 17% | 0.169 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -60 | -33.2 | 176 | -25.9 | 34.5 | 0 | 0 | 0 | 114.7 | I35 N36 T43 H280 | I35-P39 WeakPolarHBondContact O-CD 3.36Å; N36-P39 WeakPolarHBondContact O-CD 3.44Å; P39-T43 PolarHBondContact O-N 3.34Å; P39-T43 VanDerWaalsContact O-N 3.17Å; P39-T43 PolarHBondContact O-OG1 3.25Å; P39-H280 HydrophobicContact CG-CB 4.36Å |
| 40 | L | 95.4 | Very high | 93.5 | Very high | 1 Ų | 1 | 35 Ų | 35 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -69 | -44.1 | 175.4 | 174.8 | 60.9 | 0 | 0 | 0 | 110.5 | M37 K38 E42 T43 L44 F148 I279 R456 A459 V460 I463 | M37-L40 WeakPolarHBondContact O-CB 3.03Å; M37-L40 PolarHBondContact O-N 3.29Å; K38-L40 VanDerWaalsContact C-N 3.28Å; K38-L40 PolarHBondContact O-N 2.79Å; L40-E42 PolarHBondContact O-N 3.03Å; L40-T43 PolarHBondContact O-N 2.66Å; L40-L44 HydrophobicContact CG-CD1 4.46Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.47Å; L40-F148 HydrophobicContact CD2-CE1 3.94Å; L40-F148 HydrophobicContact CD2-CZ 3.65Å; L40-I279 HydrophobicContact CB-CD1 4.45Å; L40-I279 HydrophobicContact CD2-CD1 4.34Å; L40-R456 HydrophobicContact CD1-CG 4.27Å; L40-A459 HydrophobicContact CD1-CB 3.78Å; L40-A459 HydrophobicContact CD2-CB 4.02Å; L40-V460 HydrophobicContact CD1-CG2 3.51Å; L40-I463 HydrophobicContact CD1-CD1 4.49Å; L40-I463 HydrophobicContact CD2-CD1 3.99Å; L40-I463 HydrophobicContact CG-CD1 4.41Å |
| 41 | L | 96.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.5 | -43.3 | 176.2 | -57.8 | -174.7 | 0 | 0 | 0 | 112.1 | V26 W34 M37 K38 T43 L44 V45 V51 V53 F70 F148 | V26-L41 HydrophobicContact CG1-CD1 4.15Å; V26-L41 HydrophobicContact CG1-CD2 4.37Å; V26-L41 HydrophobicContact CG2-CD1 4.23Å; V26-L41 HydrophobicContact CG2-CD2 3.71Å; W34-L41 HydrophobicContact CH2-CD1 4.05Å; W34-L41 HydrophobicContact CZ3-CD1 3.79Å; M37-L41 WeakPolarHBondContact O-CG 3.27Å; M37-L41 PolarHBondContact O-N 2.74Å; M37-L41 VanDerWaalsContact O-N 3.08Å; K38-L41 WeakPolarHBondContact O-CB 3.45Å; K38-L41 PolarHBondContact O-N 2.79Å; K38-L41 VanDerWaalsContact O-N 3.16Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 3.01Å; L41-L44 HydrophobicContact CD2-CD1 4.27Å; L41-L44 WeakPolarHBondContact O-CB 3.45Å; L41-L44 PolarHBondContact O-N 2.85Å; L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 3.41Å; L41-V51 HydrophobicContact CB-CG1 4.36Å; L41-V51 HydrophobicContact CD1-CG1 4.42Å; L41-V51 HydrophobicContact CD2-CG1 4.2Å; L41-V53 HydrophobicContact CD1-CG2 3.81Å; L41-F70 HydrophobicContact CB-CD1 4.07Å; L41-F70 HydrophobicContact CB-CE1 4.09Å; L41-F70 HydrophobicContact CD1-CE1 4.45Å; L41-F70 HydrophobicContact CD1-CZ 4.5Å; L41-F148 HydrophobicContact CD2-CD1 3.92Å; L41-F148 HydrophobicContact CD2-CE1 4.14Å |
| 42 | E | 94.6 | Very high | 94.3 | Very high | 61 Ų | 61 | 35.4 Ų | 35.4 | 29% | 0.285 | 18% | 0.184 | S | C | . | . | H | α-helix | trans | -59.7 | -38.2 | 175.2 | -71.6 | 172.4 | 177.4 | 0 | 0 | 111.9 | K38 L40 V45 D46 F70 | K38-E42 WeakPolarHBondContact CE-OE1 3.26Å; K38-E42 WeakPolarHBondContact O-CG 3.34Å; K38-E42 PolarHBondContact O-N 2.86Å; L40-E42 PolarHBondContact O-N 3.03Å; E42-V45 WeakPolarHBondContact O-CB 3.26Å; E42-V45 PolarHBondContact O-N 2.69Å; E42-D46 PolarHBondContact O-N 3.09Å; E42-F70 HydrophobicContact CG-CE1 4.31Å |
| 43 | T | 95 | Very high | 94.8 | Very high | 20 Ų | 20 | 33.8 Ų | 33.8 | 12% | 0.123 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -70.7 | -34.6 | 177 | -55.7 | 0 | 0 | 0 | 0 | 111.9 | P39 L40 L41 V45 D46 R47 R456 V460 | P39-T43 PolarHBondContact O-N 3.34Å; P39-T43 VanDerWaalsContact O-N 3.17Å; P39-T43 PolarHBondContact O-OG1 3.25Å; L40-T43 PolarHBondContact O-N 2.66Å; L41-T43 VanDerWaalsContact C-N 3.26Å; L41-T43 PolarHBondContact O-N 3.01Å; T43-V45 VanDerWaalsContact C-N 3.33Å; T43-D46 WeakPolarHBondContact O-CB 3.32Å; T43-D46 PolarHBondContact O-N 3.07Å; T43-R47 VanDerWaalsContact O-CG 3.32Å; T43-R47 WeakPolarHBondContact O-CG 3.4Å; T43-R47 PolarHBondContact O-N 2.92Å; T43-R47 VanDerWaalsContact O-N 3.12Å; T43-R456 WeakPolarHBondContact OG1-CD 3.47Å; T43-V460 HydrophobicContact CG2-CG2 3.93Å |
| 44 | L | 97 | Very high | 95 | Very high | 0 Ų | 0 | 32.2 Ų | 32.2 | 0% | 0 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -63.8 | -40.6 | 172.1 | -70.9 | 163.1 | 0 | 0 | 0 | 111 | I24 L40 L41 R47 G48 H49 V51 V460 I463 | I24-L44 HydrophobicContact CD1-CB 4.32Å; I24-L44 HydrophobicContact CD1-CD1 3.86Å; I24-L44 HydrophobicContact CD1-CD2 3.96Å; I24-L44 HydrophobicContact CD1-CG 4.27Å; L40-L44 HydrophobicContact CG-CD1 4.46Å; L40-L44 WeakPolarHBondContact O-CG 3.46Å; L40-L44 PolarHBondContact O-N 3.47Å; L41-L44 HydrophobicContact CD2-CD1 4.27Å; L41-L44 WeakPolarHBondContact O-CB 3.45Å; L41-L44 PolarHBondContact O-N 2.85Å; L44-R47 CarbonylContact O-C 3.48Å; L44-R47 PolarHBondContact O-N 2.88Å; L44-R47 VanDerWaalsContact O-N 3.15Å; L44-G48 PolarHBondContact O-N 3.28Å; L44-H49 HydrophobicContact CB-CB 4.26Å; L44-H49 VanDerWaalsContact O-CB 3.31Å; L44-H49 WeakPolarHBondContact O-CB 3.32Å; L44-H49 PolarHBondContact O-CD2 3.49Å; L44-H49 VanDerWaalsContact O-CD2 3.24Å; L44-H49 PolarHBondContact O-N 2.7Å; L44-V51 HydrophobicContact CB-CG2 4.09Å; L44-V460 HydrophobicContact CD2-CG1 4.17Å; L44-V460 HydrophobicContact CD2-CG2 4.21Å; L44-V460 HydrophobicContact CG-CG2 4.39Å; L44-I463 HydrophobicContact CD1-CD1 4.05Å; L44-I463 HydrophobicContact CD1-CG2 4.38Å; L44-I463 HydrophobicContact CD2-CB 4.5Å; L44-I463 HydrophobicContact CD2-CG2 3.99Å |
| 45 | V | 96.5 | Very high | 95.1 | Very high | 32 Ų | 32 | 32 Ų | 32 | 19% | 0.194 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -62.5 | -43.8 | 172.4 | 174.4 | 0 | 0 | 0 | 0 | 111.6 | L41 E42 T43 R47 G48 V51 R69 F70 | L41-V45 WeakPolarHBondContact O-CG2 3.48Å; L41-V45 PolarHBondContact O-N 3.41Å; E42-V45 WeakPolarHBondContact O-CB 3.26Å; E42-V45 PolarHBondContact O-N 2.69Å; T43-V45 VanDerWaalsContact C-N 3.33Å; V45-R47 PolarHBondContact O-N 3.49Å; V45-R47 VanDerWaalsContact O-N 3.14Å; V45-G48 PolarHBondContact O-N 2.81Å; V45-V51 HydrophobicContact CG2-CB 4.15Å; V45-V51 HydrophobicContact CG2-CG2 3.88Å; V45-R69 HydrophobicContact CG1-CB 4.16Å; V45-R69 WeakPolarHBondContact CG1-O 3.18Å; V45-F70 HydrophobicContact CG2-CB 4.06Å |
| 46 | D | 94.4 | Very high | 95.4 | Very high | 101 Ų | 101 | 28.7 Ų | 28.7 | 54% | 0.54 | 15% | 0.148 | S | C | . | . | H | α-helix | trans | -55.8 | -28.6 | 174.2 | -81.3 | -43.4 | 0 | 0 | 0 | 112.9 | E42 T43 G48 R69 | E42-D46 PolarHBondContact O-N 3.09Å; T43-D46 WeakPolarHBondContact O-CB 3.32Å; T43-D46 PolarHBondContact O-N 3.07Å; D46-G48 VanDerWaalsContact C-N 3.3Å; D46-R69 IonicContact OD1-CZ 3.86Å; D46-R69 IonicContact OD1-NH1 3.27Å; D46-R69 PolarHBondContact OD1-NH1 3.29Å; D46-R69 IonicContact OD1-NH2 2.81Å; D46-R69 PolarHBondContact OD1-NH2 3.14Å; D46-R69 IonicContact OD2-CZ 3.85Å; D46-R69 IonicContact OD2-NH1 3.49Å; D46-R69 PolarHBondContact OD2-NH1 3.24Å; D46-R69 IonicContact OD2-NH2 2.7Å |
| 47 | R | 94.6 | Very high | 95.4 | Very high | 119 Ų | 119 | 31.7 Ų | 31.7 | 45% | 0.449 | 17% | 0.169 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -91.7 | 9.5 | 179 | -65.9 | 176.5 | 68.2 | 94.3 | 2.6 | 113.5 | T43 L44 V45 V460 E464 | T43-R47 VanDerWaalsContact O-CG 3.32Å; T43-R47 WeakPolarHBondContact O-CG 3.4Å; T43-R47 PolarHBondContact O-N 2.92Å; T43-R47 VanDerWaalsContact O-N 3.12Å; L44-R47 CarbonylContact O-C 3.48Å; L44-R47 PolarHBondContact O-N 2.88Å; L44-R47 VanDerWaalsContact O-N 3.15Å; V45-R47 PolarHBondContact O-N 3.49Å; V45-R47 VanDerWaalsContact O-N 3.14Å; R47-V460 VanDerWaalsContact NE-CG1 3.33Å; R47-E464 IonicContact CZ-OE1 3.68Å; R47-E464 IonicContact NE-OE1 3.82Å; R47-E464 PolarHBondContact NE-OE1 2.88Å; R47-E464 IonicContact NH2-OE1 3.66Å; R47-E464 PolarHBondContact NH2-OE1 2.95Å; R47-E464 IonicContact NH2-OE2 3.97Å; R47-E464 PolarHBondContact NH2-OE2 3.31Å |
| 48 | G | 94.6 | Very high | 95.3 | Very high | 34 Ų | 34 | 32.5 Ų | 32.5 | 35% | 0.351 | 17% | 0.174 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 89.6 | 5.7 | 173.4 | 0 | 0 | 0 | 0 | 0 | 114.9 | G21 L44 V45 D46 | G21-G48 WeakPolarHBondContact CA-O 3.42Å; L44-G48 PolarHBondContact O-N 3.28Å; V45-G48 PolarHBondContact O-N 2.81Å; D46-G48 VanDerWaalsContact C-N 3.3Å |
| 49 | H | 96.8 | Very high | 95.2 | Very high | 18 Ų | 18 | 31.2 Ų | 31.2 | 8% | 0.083 | 17% | 0.171 | C | C | . | . | trans | -74.9 | 145.1 | 177.4 | -62 | -66.9 | 0 | 0 | 0 | 112.3 | G22 I24 L44 E464 M467 | G22-H49 PolarHBondContact N-ND1 3.28Å; G22-H49 WeakPolarHBondContact O-CA 3.29Å; G22-H49 WeakPolarHBondContact O-CB 3.42Å; I24-H49 HydrophobicContact CD1-CB 3.94Å; L44-H49 HydrophobicContact CB-CB 4.26Å; L44-H49 VanDerWaalsContact O-CB 3.31Å; L44-H49 WeakPolarHBondContact O-CB 3.32Å; L44-H49 PolarHBondContact O-CD2 3.49Å; L44-H49 VanDerWaalsContact O-CD2 3.24Å; L44-H49 PolarHBondContact O-N 2.7Å; H49-E464 IonicContact NE2-OE1 2.74Å; H49-E464 PolarHBondContact NE2-OE1 3.39Å; H49-M467 WeakPolarHBondContact CE1-CE 3.31Å | ||
| 50 | Q | 97 | Very high | 94.9 | Very high | 119 Ų | 119 | 32 Ų | 32 | 56% | 0.556 | 17% | 0.173 | S | C | * | . | E | Extended strand (participates in β ladder) | trans | -88.5 | 116.1 | 169.1 | -66.7 | 178.6 | 20.7 | 0 | 0 | 108.3 | G22 K23 I24 | G22-Q50 PolarHBondContact O-N 2.89Å; K23-Q50 CarbonylContact C-O 3.55Å; K23-Q50 WeakPolarHBondContact CA-O 3.48Å; K23-Q50 HydrophobicContact CG-CB 4.14Å; I24-Q50 PolarHBondContact N-O 3.44Å |
| 51 | V | 97.9 | Very high | 94.5 | Very high | 5 Ų | 5 | 34.9 Ų | 34.9 | 3% | 0.03 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -109.5 | 124.8 | -179.4 | 179.4 | 0 | 0 | 0 | 0 | 109 | I24 V26 L41 L44 V45 V53 F70 Q71 | I24-V51 HydrophobicContact CB-CG2 4.4Å; V26-V51 HydrophobicContact CG2-CG1 3.71Å; L41-V51 HydrophobicContact CB-CG1 4.36Å; L41-V51 HydrophobicContact CD1-CG1 4.42Å; L41-V51 HydrophobicContact CD2-CG1 4.2Å; L44-V51 HydrophobicContact CB-CG2 4.09Å; V45-V51 HydrophobicContact CG2-CB 4.15Å; V45-V51 HydrophobicContact CG2-CG2 3.88Å; V51-V53 HydrophobicContact CG1-CG2 3.97Å; V51-F70 HydrophobicContact CB-CB 3.72Å; V51-F70 HydrophobicContact CG1-CB 3.92Å; V51-F70 HydrophobicContact CG1-CG 4.37Å; V51-F70 WeakPolarHBondContact O-CB 3.45Å; V51-Q71 PolarHBondContact O-N 3.06Å |
| 52 | T | 97.8 | Very high | 94.1 | Very high | 11 Ų | 11 | 35.4 Ų | 35.4 | 7% | 0.067 | 19% | 0.189 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 119.3 | 173.5 | -55.6 | 0 | 0 | 0 | 0 | 109.1 | I24 L25 V26 Q71 E73 Y144 | I24-T52 PolarHBondContact O-N 2.89Å; L25-T52 CarbonylContact C-O 3.57Å; V26-T52 PolarHBondContact N-O 2.82Å; T52-Q71 CarbonylContact C-O 3.6Å; T52-Q71 WeakPolarHBondContact CA-O 3.47Å; T52-E73 HydrophobicContact CG2-CB 3.72Å; T52-Y144 WeakPolarHBondContact CG2-OH 3.29Å |
| 53 | V | 97.7 | Very high | 93.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 19% | 0.193 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -106.8 | 121.5 | -176.9 | -174.9 | 0 | 0 | 0 | 0 | 109.5 | V26 W34 L41 V51 V55 M62 F70 Q71 Y72 E73 | V26-V53 HydrophobicContact CB-CB 4.35Å; V26-V53 HydrophobicContact CB-CG1 4.31Å; V26-V53 HydrophobicContact CB-CG2 4.02Å; V26-V53 HydrophobicContact CG1-CG1 4.4Å; V26-V53 HydrophobicContact CG2-CG2 4.19Å; W34-V53 HydrophobicContact CH2-CG1 3.81Å; W34-V53 HydrophobicContact CH2-CG2 4.25Å; W34-V53 HydrophobicContact CZ3-CG1 3.74Å; L41-V53 HydrophobicContact CD1-CG2 3.81Å; V51-V53 HydrophobicContact CG1-CG2 3.97Å; V53-V55 PolarHBondContact O-N 3.05Å; V53-M62 HydrophobicContact CG1-CE 3.58Å; V53-F70 HydrophobicContact CB-CD2 4.28Å; V53-F70 HydrophobicContact CB-CE2 4.37Å; V53-F70 HydrophobicContact CG2-CD2 3.44Å; V53-F70 VanDerWaalsContact CG2-CD2 3.44Å; V53-F70 HydrophobicContact CG2-CE2 3.68Å; V53-F70 HydrophobicContact CG2-CG 4.15Å; V53-Q71 PolarHBondContact N-O 3.41Å; V53-Y72 HydrophobicContact CB-CD1 3.98Å; V53-Y72 HydrophobicContact CB-CE1 4.28Å; V53-Y72 HydrophobicContact CG1-CD1 4.33Å; V53-Y72 HydrophobicContact CG1-CE1 4.34Å; V53-Y72 CarbonylContact O-C 3.46Å; V53-Y72 WeakPolarHBondContact O-CA 3.21Å; V53-E73 PolarHBondContact O-N 3.14Å |
| 54 | L | 97.5 | Very high | 93 | Very high | 0 Ų | 0 | 37.9 Ų | 37.9 | 0% | 0 | 21% | 0.208 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -67.8 | 132.5 | 170.7 | -66.1 | 170.9 | 0 | 0 | 0 | 109.6 | L25 V26 W27 Y28 E73 F75 V129 L139 | L25-L54 HydrophobicContact CD1-CD1 4.25Å; L25-L54 HydrophobicContact CD1-CD2 4.44Å; L25-L54 HydrophobicContact CD1-CG 4.02Å; V26-L54 PolarHBondContact O-N 3.27Å; W27-L54 HydrophobicContact CE3-CD1 3.62Å; W27-L54 HydrophobicContact CZ3-CD1 3.75Å; Y28-L54 WeakPolarHBondContact CA-O 3.37Å; Y28-L54 WeakPolarHBondContact CB-O 3.14Å; L54-E73 WeakPolarHBondContact CA-O 3.46Å; L54-E73 HydrophobicContact CD2-CB 3.96Å; L54-E73 HydrophobicContact CD2-CG 3.94Å; L54-F75 HydrophobicContact CB-CD1 4.12Å; L54-F75 HydrophobicContact CB-CE1 3.98Å; L54-V129 HydrophobicContact CD1-CG1 4.36Å; L54-L139 HydrophobicContact CD1-CD1 4.43Å; L54-L139 HydrophobicContact CD2-CD2 4.14Å |
| 55 | V | 95.4 | Very high | 92.3 | Very high | 4 Ų | 4 | 42.9 Ų | 42.9 | 2% | 0.024 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.9 | 124.4 | 177.7 | 162.9 | 0 | 0 | 0 | 0 | 109.3 | V53 M62 Y72 E73 P74 F75 | V53-V55 PolarHBondContact O-N 3.05Å; V55-M62 HydrophobicContact CG1-CB 4.48Å; V55-M62 HydrophobicContact CG2-CB 4.25Å; V55-M62 HydrophobicContact CG2-CE 3.38Å; V55-M62 HydrophobicContact CG2-SD 3.92Å; V55-Y72 HydrophobicContact CB-CD1 4.38Å; V55-Y72 HydrophobicContact CG2-CD1 3.27Å; V55-Y72 HydrophobicContact CG2-CE1 3.64Å; V55-Y72 HydrophobicContact CG2-CG 4.14Å; V55-E73 PolarHBondContact N-O 3.07Å; V55-P74 CarbonylContact O-C 3.54Å; V55-P74 WeakPolarHBondContact O-CA 3.49Å; V55-F75 VanDerWaalsContact C-CD1 3.5Å; V55-F75 VanDerWaalsContact C-CE1 3.4Å; V55-F75 VanDerWaalsContact O-CD1 3.24Å; V55-F75 WeakPolarHBondContact O-CD1 3.32Å; V55-F75 PolarHBondContact O-N 3.38Å |
| 56 | P | 95.1 | Very high | 91.5 | Very high | 2 Ų | 2 | 45.9 Ų | 45.9 | 1% | 0.013 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -67.6 | 146.7 | 173.2 | 28.7 | -33.7 | 0 | 0 | 0 | 110.3 | Y28 T58 F75 V77 F125 | Y28-P56 HydrophobicContact CD2-CG 4.01Å; Y28-P56 HydrophobicContact CG-CG 4.44Å; P56-T58 WeakPolarHBondContact CB-O 3.48Å; P56-T58 WeakPolarHBondContact CG-O 3.32Å; P56-T58 PolarHBondContact O-N 3.21Å; P56-T58 VanDerWaalsContact O-N 3.12Å; P56-F75 CarbonylContact C-O 3.49Å; P56-F75 WeakPolarHBondContact CA-O 3.4Å; P56-F75 HydrophobicContact CB-CE1 4.06Å; P56-F75 HydrophobicContact CB-CE2 3.96Å; P56-F75 HydrophobicContact CB-CZ 3.61Å; P56-F75 HydrophobicContact CG-CZ 4.33Å; P56-F75 VanDerWaalsContact N-CE1 3.3Å; P56-V77 HydrophobicContact CB-CG2 3.66Å; P56-F125 HydrophobicContact CB-CD1 3.84Å; P56-F125 HydrophobicContact CB-CE1 3.45Å; P56-F125 VanDerWaalsContact CB-CE1 3.45Å; P56-F125 HydrophobicContact CG-CD1 4.29Å; P56-F125 HydrophobicContact CG-CE1 3.69Å |
| 57 | S | 92.3 | Very high | 91 | Very high | 67 Ų | 67 | 47.3 Ų | 47.3 | 47% | 0.469 | 27% | 0.27 | S | S | . | . | S | Bend | trans | -56.4 | -26.9 | 173.5 | 60.5 | 0 | 0 | 0 | 0 | 112.4 | F75 V77 | S57-F75 PolarHBondContact N-O 3.43Å; S57-V77 PolarHBondContact OG-N 2.77Å |
| 58 | T | 90.9 | Very high | 90.6 | Very high | 18 Ų | 18 | 43.6 Ų | 43.6 | 11% | 0.11 | 26% | 0.262 | C | S | . | . | S | Bend | trans | -114.9 | 109.1 | 174.7 | -54.1 | 0 | 0 | 0 | 0 | 109.2 | P56 V79 F81 L84 | P56-T58 WeakPolarHBondContact CB-O 3.48Å; P56-T58 WeakPolarHBondContact CG-O 3.32Å; P56-T58 PolarHBondContact O-N 3.21Å; P56-T58 VanDerWaalsContact O-N 3.12Å; T58-V79 WeakPolarHBondContact CB-O 3.36Å; T58-V79 WeakPolarHBondContact CG2-O 3.46Å; T58-V79 PolarHBondContact OG1-O 3.26Å; T58-F81 HydrophobicContact CG2-CB 4.16Å; T58-L84 HydrophobicContact CG2-CB 4.49Å; T58-L84 HydrophobicContact CG2-CD2 4.05Å |
| 59 | S | 90.4 | Very high | 90.4 | Very high | 18 Ų | 18 | 48 Ų | 48 | 13% | 0.126 | 27% | 0.268 | C | S | . | . | trans | -137.4 | 144.5 | 176.6 | -175.4 | 0 | 0 | 0 | 0 | 111 | E30 F61 M62 | E30-S59 VanDerWaalsContact OE1-CA 3.29Å; E30-S59 WeakPolarHBondContact OE1-CA 3.36Å; E30-S59 VanDerWaalsContact OE1-CB 3.29Å; E30-S59 WeakPolarHBondContact OE1-CB 3.44Å; E30-S59 PolarHBondContact OE1-OG 2.75Å; E30-S59 PolarHBondContact OE2-OG 2.6Å; E30-S59 VanDerWaalsContact OE2-OG 3.09Å; S59-F61 PolarHBondContact OG-N 2.89Å; S59-M62 VanDerWaalsContact OG-CB 3.25Å; S59-M62 WeakPolarHBondContact OG-CB 3.31Å; S59-M62 PolarHBondContact OG-N 3.15Å | ||
| 60 | L | 85.4 | Confident | 90.2 | Very high | 41 Ų | 41 | 47.9 Ų | 47.9 | 22% | 0.215 | 27% | 0.268 | C | S | . | . | S | Bend | trans | -88.4 | -27.6 | 176.6 | -66.3 | 177.7 | 0 | 0 | 0 | 112.2 | E30 F81 L84 E85 F88 | E30-L60 PolarHBondContact OE2-N 3.14Å; L60-F81 HydrophobicContact CD2-CD2 4.11Å; L60-F81 HydrophobicContact CD2-CE1 4.16Å; L60-F81 HydrophobicContact CD2-CE2 3.55Å; L60-F81 HydrophobicContact CD2-CZ 3.57Å; L60-L84 HydrophobicContact CD1-CD2 4.34Å; L60-L84 HydrophobicContact CD1-CG 4.06Å; L60-L84 HydrophobicContact CD2-CD2 4.42Å; L60-L84 HydrophobicContact CD2-CG 4.49Å; L60-L84 HydrophobicContact CG-CD2 3.84Å; L60-L84 HydrophobicContact CG-CG 4.04Å; L60-E85 HydrophobicContact CD2-CB 4.13Å; L60-F88 HydrophobicContact CD1-CB 4.24Å; L60-F88 HydrophobicContact CD1-CD1 4.29Å; L60-F88 HydrophobicContact CD1-CD2 3.56Å; L60-F88 HydrophobicContact CD1-CE2 3.9Å; L60-F88 HydrophobicContact CD1-CG 3.77Å; L60-F88 HydrophobicContact CD1-CZ 4.4Å |
| 61 | F | 86.5 | Confident | 90.1 | Very high | 62 Ų | 62 | 47.5 Ų | 47.5 | 27% | 0.272 | 27% | 0.266 | S | S | . | . | S | Bend | trans | -129.5 | -17.3 | -171.1 | -63.2 | -90.3 | 0 | 0 | 0 | 114.6 | E30 A31 S59 M311 | E30-F61 HydrophobicContact CB-CD2 4.25Å; E30-F61 WeakPolarHBondContact OE2-CD2 3.35Å; E30-F61 PolarHBondContact OE2-N 3.12Å; A31-F61 VanDerWaalsContact CA-CD2 3.45Å; A31-F61 VanDerWaalsContact CA-CG 3.41Å; A31-F61 HydrophobicContact CB-CD1 4.38Å; A31-F61 HydrophobicContact CB-CD2 3.72Å; A31-F61 HydrophobicContact CB-CE1 4.24Å; A31-F61 HydrophobicContact CB-CE2 3.57Å; A31-F61 HydrophobicContact CB-CG 4.14Å; A31-F61 HydrophobicContact CB-CZ 3.84Å; A31-F61 VanDerWaalsContact N-CG 3.31Å; S59-F61 PolarHBondContact OG-N 2.89Å; F61-M311 HydrophobicContact CZ-CG 4.01Å |
| 62 | M | 89.3 | Confident | 89.9 | Confident | 12 Ų | 12 | 48.7 Ų | 48.7 | 6% | 0.059 | 27% | 0.27 | C | S | . | . | trans | -90.7 | 123.8 | 174.1 | -52.5 | -177.1 | 82.2 | 0 | 0 | 109.6 | S29 W34 V53 V55 S59 Y72 | S29-M62 WeakPolarHBondContact O-CG 3.47Å; W34-M62 HydrophobicContact CD2-CE 3.8Å; W34-M62 HydrophobicContact CD2-CG 4.12Å; W34-M62 HydrophobicContact CE3-CE 3.66Å; W34-M62 HydrophobicContact CG-CG 3.97Å; W34-M62 HydrophobicContact CH2-CE 3.79Å; W34-M62 HydrophobicContact CZ2-CE 3.91Å; W34-M62 HydrophobicContact CZ3-CE 3.66Å; V53-M62 HydrophobicContact CG1-CE 3.58Å; V55-M62 HydrophobicContact CG1-CB 4.48Å; V55-M62 HydrophobicContact CG2-CB 4.25Å; V55-M62 HydrophobicContact CG2-CE 3.38Å; V55-M62 HydrophobicContact CG2-SD 3.92Å; S59-M62 VanDerWaalsContact OG-CB 3.25Å; S59-M62 WeakPolarHBondContact OG-CB 3.31Å; S59-M62 PolarHBondContact OG-N 3.15Å; M62-Y72 HydrophobicContact CE-CE1 4.35Å | ||
| 63 | N | 84 | Confident | 89.8 | Confident | 69 Ų | 69 | 48.7 Ų | 48.7 | 37% | 0.369 | 27% | 0.269 | S | S | . | . | trans | -117.7 | 104 | 174.7 | -174.1 | -5 | 0 | 0 | 0 | 109.8 | S65 E66 | N63-S65 PolarHBondContact O-N 3.31Å; N63-S65 VanDerWaalsContact OD1-CB 3.28Å; N63-S65 WeakPolarHBondContact OD1-CB 3.38Å; N63-S65 PolarHBondContact OD1-N 2.92Å; N63-E66 HydrophobicContact CB-CG 3.92Å; N63-E66 PolarHBondContact O-N 3.31Å | ||
| 64 | S | 83 | Confident | 89.7 | Confident | 63 Ų | 63 | 52.1 Ų | 52.1 | 44% | 0.441 | 29% | 0.292 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.9 | -13.1 | 179 | 57 | 0 | 0 | 0 | 0 | 113.7 | ||
| 65 | S | 82.1 | Confident | 89.6 | Confident | 105 Ų | 105 | 52.2 Ų | 52.2 | 73% | 0.734 | 29% | 0.292 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.1 | -15.1 | 175.1 | -55.5 | 0 | 0 | 0 | 0 | 113 | N63 | N63-S65 PolarHBondContact O-N 3.31Å; N63-S65 VanDerWaalsContact OD1-CB 3.28Å; N63-S65 WeakPolarHBondContact OD1-CB 3.38Å; N63-S65 PolarHBondContact OD1-N 2.92Å |
| 66 | E | 79.3 | Confident | 89.6 | Confident | 95 Ų | 95 | 58.5 Ų | 58.5 | 44% | 0.444 | 33% | 0.325 | S | S | . | . | S | Bend | trans | -71.3 | 140.4 | 176.7 | -74.8 | 178.6 | -174.2 | 0 | 0 | 111.2 | K38 N63 S68 | K38-E66 IonicContact NZ-OE2 3.28Å; N63-E66 HydrophobicContact CB-CG 3.92Å; N63-E66 PolarHBondContact O-N 3.31Å; E66-S68 PolarHBondContact O-N 3.01Å; E66-S68 VanDerWaalsContact O-N 3.07Å |
| 67 | P | 83.3 | Confident | 89.5 | Confident | 132 Ų | 132 | 59 Ų | 59 | 86% | 0.857 | 33% | 0.329 | S | S | * | . | trans | -53.9 | 119.6 | 171.1 | -24.2 | 33.6 | 0 | 0 | 0 | 110.4 | ||||
| 68 | S | 86.6 | Confident | 89.6 | Confident | 41 Ų | 41 | 61.8 Ų | 61.8 | 29% | 0.287 | 34% | 0.338 | S | S | . | . | trans | -123.1 | 152.3 | 177.4 | -173.6 | 0 | 0 | 0 | 0 | 110.9 | E66 F70 | E66-S68 PolarHBondContact O-N 3.01Å; E66-S68 VanDerWaalsContact O-N 3.07Å; S68-F70 VanDerWaalsContact C-N 3.27Å; S68-F70 WeakPolarHBondContact OG-CD1 3.18Å; S68-F70 WeakPolarHBondContact OG-CD2 3.39Å; S68-F70 VanDerWaalsContact OG-CE1 3.32Å; S68-F70 WeakPolarHBondContact OG-CE1 3.09Å; S68-F70 WeakPolarHBondContact OG-CE2 3.48Å; S68-F70 VanDerWaalsContact OG-CG 3.26Å; S68-F70 WeakPolarHBondContact OG-CG 3.31Å; S68-F70 WeakPolarHBondContact OG-CZ 3.25Å; S68-F70 PolarHBondContact OG-N 2.92Å; S68-F70 PolarHBondContact OG-O 2.86Å | ||
| 69 | R | 89.5 | Confident | 89.6 | Confident | 126 Ų | 126 | 61.4 Ų | 61.4 | 48% | 0.475 | 34% | 0.336 | S | S | . | . | S | Bend | trans | -83.4 | -8.6 | 173.9 | -56.4 | -174.9 | 63.6 | -161.1 | -2 | 112.5 | V45 D46 | V45-R69 HydrophobicContact CG1-CB 4.16Å; V45-R69 WeakPolarHBondContact CG1-O 3.18Å; D46-R69 IonicContact OD1-CZ 3.86Å; D46-R69 IonicContact OD1-NH1 3.27Å; D46-R69 PolarHBondContact OD1-NH1 3.29Å; D46-R69 IonicContact OD1-NH2 2.81Å; D46-R69 PolarHBondContact OD1-NH2 3.14Å; D46-R69 IonicContact OD2-CZ 3.85Å; D46-R69 IonicContact OD2-NH1 3.49Å; D46-R69 PolarHBondContact OD2-NH1 3.24Å; D46-R69 IonicContact OD2-NH2 2.7Å |
| 70 | F | 93.4 | Very high | 89.7 | Confident | 16 Ų | 16 | 62.6 Ų | 62.6 | 7% | 0.07 | 34% | 0.344 | C | S | . | . | S | Bend | trans | -123.2 | 163.9 | 178.9 | 48 | -101.9 | 0 | 0 | 0 | 110.8 | W34 K38 L41 E42 V45 V51 V53 S68 Y72 | W34-F70 AromaticContact CH2-CE2 3.63Å; W34-F70 HydrophobicContact CH2-CE2 3.63Å; W34-F70 AromaticContact CH2-CZ 3.51Å; W34-F70 HydrophobicContact CH2-CZ 3.51Å; W34-F70 HydrophobicContact CZ2-CE2 4.02Å; W34-F70 AromaticContact CZ2-CZ 3.76Å; W34-F70 HydrophobicContact CZ2-CZ 3.76Å; K38-F70 HydrophobicContact CG-CE1 4.16Å; K38-F70 HydrophobicContact CG-CZ 4.18Å; L41-F70 HydrophobicContact CB-CD1 4.07Å; L41-F70 HydrophobicContact CB-CE1 4.09Å; L41-F70 HydrophobicContact CD1-CE1 4.45Å; L41-F70 HydrophobicContact CD1-CZ 4.5Å; E42-F70 HydrophobicContact CG-CE1 4.31Å; V45-F70 HydrophobicContact CG2-CB 4.06Å; V51-F70 HydrophobicContact CB-CB 3.72Å; V51-F70 HydrophobicContact CG1-CB 3.92Å; V51-F70 HydrophobicContact CG1-CG 4.37Å; V51-F70 WeakPolarHBondContact O-CB 3.45Å; V53-F70 HydrophobicContact CB-CD2 4.28Å; V53-F70 HydrophobicContact CB-CE2 4.37Å; V53-F70 HydrophobicContact CG2-CD2 3.44Å; V53-F70 VanDerWaalsContact CG2-CD2 3.44Å; V53-F70 HydrophobicContact CG2-CE2 3.68Å; V53-F70 HydrophobicContact CG2-CG 4.15Å; S68-F70 VanDerWaalsContact C-N 3.27Å; S68-F70 WeakPolarHBondContact OG-CD1 3.18Å; S68-F70 WeakPolarHBondContact OG-CD2 3.39Å; S68-F70 VanDerWaalsContact OG-CE1 3.32Å; S68-F70 WeakPolarHBondContact OG-CE1 3.09Å; S68-F70 WeakPolarHBondContact OG-CE2 3.48Å; S68-F70 VanDerWaalsContact OG-CG 3.26Å; S68-F70 WeakPolarHBondContact OG-CG 3.31Å; S68-F70 WeakPolarHBondContact OG-CZ 3.25Å; S68-F70 PolarHBondContact OG-N 2.92Å; S68-F70 PolarHBondContact OG-O 2.86Å; F70-Y72 HydrophobicContact CD2-CE1 4.28Å; F70-Y72 HydrophobicContact CE2-CD1 4.23Å; F70-Y72 AromaticContact CE2-CE1 3.54Å; F70-Y72 HydrophobicContact CE2-CE1 3.54Å; F70-Y72 HydrophobicContact CE2-CE2 4.27Å; F70-Y72 AromaticContact CE2-CZ 3.57Å |
| 71 | Q | 94.1 | Very high | 89.9 | Confident | 110 Ų | 110 | 64.7 Ų | 64.7 | 51% | 0.514 | 35% | 0.351 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.1 | 134.9 | -179.1 | -178 | 176.7 | -1.7 | 0 | 0 | 110.6 | V51 T52 V53 | V51-Q71 PolarHBondContact O-N 3.06Å; T52-Q71 CarbonylContact C-O 3.6Å; T52-Q71 WeakPolarHBondContact CA-O 3.47Å; V53-Q71 PolarHBondContact N-O 3.41Å |
| 72 | Y | 95.3 | Very high | 90.1 | Very high | 30 Ų | 30 | 67.9 Ų | 67.9 | 12% | 0.118 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -91.8 | 138.4 | 165.3 | -69.3 | -64.1 | 0 | 0 | 0 | 110.8 | W34 V53 V55 M62 F70 | W34-Y72 HydrophobicContact CH2-CE1 4.12Å; W34-Y72 AromaticContact CZ2-CE1 3.99Å; W34-Y72 HydrophobicContact CZ2-CE1 3.99Å; W34-Y72 WeakPolarHBondContact CZ2-OH 3.46Å; V53-Y72 HydrophobicContact CB-CD1 3.98Å; V53-Y72 HydrophobicContact CB-CE1 4.28Å; V53-Y72 HydrophobicContact CG1-CD1 4.33Å; V53-Y72 HydrophobicContact CG1-CE1 4.34Å; V53-Y72 CarbonylContact O-C 3.46Å; V53-Y72 WeakPolarHBondContact O-CA 3.21Å; V55-Y72 HydrophobicContact CB-CD1 4.38Å; V55-Y72 HydrophobicContact CG2-CD1 3.27Å; V55-Y72 HydrophobicContact CG2-CE1 3.64Å; V55-Y72 HydrophobicContact CG2-CG 4.14Å; M62-Y72 HydrophobicContact CE-CE1 4.35Å; F70-Y72 HydrophobicContact CD2-CE1 4.28Å; F70-Y72 HydrophobicContact CE2-CD1 4.23Å; F70-Y72 AromaticContact CE2-CE1 3.54Å; F70-Y72 HydrophobicContact CE2-CE1 3.54Å; F70-Y72 HydrophobicContact CE2-CE2 4.27Å; F70-Y72 AromaticContact CE2-CZ 3.57Å |
| 73 | E | 95.6 | Very high | 90.2 | Very high | 11 Ų | 11 | 71.6 Ų | 71.6 | 5% | 0.051 | 39% | 0.387 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.6 | 97.1 | 171.3 | -173.1 | 60.6 | -137.4 | 0 | 0 | 108.6 | T52 V53 L54 V55 K138 | T52-E73 HydrophobicContact CG2-CB 3.72Å; V53-E73 PolarHBondContact O-N 3.14Å; L54-E73 WeakPolarHBondContact CA-O 3.46Å; L54-E73 HydrophobicContact CD2-CB 3.96Å; L54-E73 HydrophobicContact CD2-CG 3.94Å; V55-E73 PolarHBondContact N-O 3.07Å; E73-K138 VanDerWaalsContact CD-CE 3.46Å; E73-K138 VanDerWaalsContact OE1-CD 3.26Å; E73-K138 WeakPolarHBondContact OE1-CD 3.34Å; E73-K138 WeakPolarHBondContact OE1-CE 3.38Å; E73-K138 IonicContact OE1-NZ 2.66Å; E73-K138 PolarHBondContact OE1-NZ 3.33Å; E73-K138 WeakPolarHBondContact OE2-CE 3.32Å; E73-K138 IonicContact OE2-NZ 2.71Å; E73-K138 PolarHBondContact OE2-NZ 2.95Å |
| 74 | P | 95.1 | Very high | 90.4 | Very high | 73 Ų | 73 | 68.7 Ų | 68.7 | 47% | 0.474 | 37% | 0.372 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -70.8 | 145.2 | -178.8 | 29.2 | -33.4 | 0 | 0 | 0 | 111.3 | V55 I135 | V55-P74 CarbonylContact O-C 3.54Å; V55-P74 WeakPolarHBondContact O-CA 3.49Å; P74-I135 WeakPolarHBondContact O-CD1 3.3Å |
| 75 | F | 95.7 | Very high | 90.8 | Very high | 2 Ų | 2 | 68.7 Ų | 68.7 | 1% | 0.009 | 37% | 0.365 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -134.1 | 143.9 | 170.2 | 67.4 | -88.8 | 0 | 0 | 0 | 110.9 | Y28 L54 V55 P56 S57 V77 F125 V129 I135 | Y28-F75 HydrophobicContact CD1-CE1 4.11Å; Y28-F75 AromaticContact CD1-CZ 3.74Å; Y28-F75 HydrophobicContact CD1-CZ 3.74Å; Y28-F75 HydrophobicContact CE1-CZ 4.08Å; Y28-F75 HydrophobicContact CG-CE1 4.35Å; Y28-F75 HydrophobicContact CG-CZ 4.17Å; L54-F75 HydrophobicContact CB-CD1 4.12Å; L54-F75 HydrophobicContact CB-CE1 3.98Å; V55-F75 VanDerWaalsContact C-CD1 3.5Å; V55-F75 VanDerWaalsContact C-CE1 3.4Å; V55-F75 VanDerWaalsContact O-CD1 3.24Å; V55-F75 WeakPolarHBondContact O-CD1 3.32Å; V55-F75 PolarHBondContact O-N 3.38Å; P56-F75 CarbonylContact C-O 3.49Å; P56-F75 WeakPolarHBondContact CA-O 3.4Å; P56-F75 HydrophobicContact CB-CE1 4.06Å; P56-F75 HydrophobicContact CB-CE2 3.96Å; P56-F75 HydrophobicContact CB-CZ 3.61Å; P56-F75 HydrophobicContact CG-CZ 4.33Å; P56-F75 VanDerWaalsContact N-CE1 3.3Å; S57-F75 PolarHBondContact N-O 3.43Å; F75-V77 HydrophobicContact CD2-CG2 3.64Å; F75-V77 HydrophobicContact CE2-CG2 3.3Å; F75-V77 HydrophobicContact CZ-CG2 4.24Å; F75-F125 HydrophobicContact CE2-CD1 4.38Å; F75-F125 HydrophobicContact CZ-CD1 4.34Å; F75-V129 HydrophobicContact CB-CG2 4.4Å; F75-V129 HydrophobicContact CD1-CG2 3.91Å; F75-V129 HydrophobicContact CD2-CG2 3.64Å; F75-V129 HydrophobicContact CE1-CG2 4.01Å; F75-V129 HydrophobicContact CE2-CG2 3.72Å; F75-V129 HydrophobicContact CG-CG2 3.73Å; F75-V129 HydrophobicContact CZ-CG2 3.91Å; F75-I135 HydrophobicContact CB-CD1 4.07Å; F75-I135 HydrophobicContact CB-CG1 4.07Å |
| 76 | D | 95.3 | Very high | 91.2 | Very high | 135 Ų | 135 | 70.1 Ų | 70.1 | 72% | 0.722 | 36% | 0.358 | S | S | * | . | trans | -76.8 | 136.3 | -176.3 | -66.6 | -29.5 | 0 | 0 | 0 | 111.4 | G128 | D76-G128 WeakPolarHBondContact O-CA 3.42Š| ||
| 77 | V | 93.7 | Very high | 91.6 | Very high | 14 Ų | 14 | 67 Ų | 67 | 9% | 0.085 | 34% | 0.344 | C | S | . | . | trans | -127.4 | 128.3 | 176.1 | -176.7 | 0 | 0 | 0 | 0 | 109.1 | P56 S57 F75 V79 K124 F125 | P56-V77 HydrophobicContact CB-CG2 3.66Å; S57-V77 PolarHBondContact OG-N 2.77Å; F75-V77 HydrophobicContact CD2-CG2 3.64Å; F75-V77 HydrophobicContact CE2-CG2 3.3Å; F75-V77 HydrophobicContact CZ-CG2 4.24Å; V77-V79 HydrophobicContact CG1-CB 3.9Å; V77-V79 HydrophobicContact CG1-CG2 3.71Å; V77-V79 PolarHBondContact O-N 3.23Å; V77-K124 HydrophobicContact CG1-CB 4.48Å; V77-F125 HydrophobicContact CG1-CD1 4.21Å; V77-F125 HydrophobicContact CG1-CD2 3.75Å; V77-F125 HydrophobicContact CG1-CE1 4.29Å; V77-F125 HydrophobicContact CG1-CE2 3.84Å; V77-F125 HydrophobicContact CG1-CG 3.95Å; V77-F125 HydrophobicContact CG1-CZ 4.12Å; V77-F125 HydrophobicContact CG2-CD1 3.93Å; V77-F125 HydrophobicContact CG2-CE1 4.2Å; V77-F125 HydrophobicContact CG2-CG 4.29Å | ||
| 78 | D | 92.9 | Very high | 91.8 | Very high | 124 Ų | 124 | 63 Ų | 63 | 66% | 0.663 | 31% | 0.313 | S | S | * | . | S | Bend | trans | -77.1 | 54.6 | 175.5 | -179.9 | 44.3 | 0 | 0 | 0 | 111.8 | K124 | D78-K124 WeakPolarHBondContact O-CD 3.49Å; D78-K124 PolarHBondContact O-NZ 2.52Å; D78-K124 IonicContact OD2-NZ 2.89Å; D78-K124 PolarHBondContact OD2-NZ 3.33Å |
| 79 | V | 91.3 | Very high | 92 | Very high | 11 Ų | 11 | 66.8 Ų | 66.8 | 7% | 0.067 | 33% | 0.326 | C | S | . | . | trans | -138.2 | 125.8 | 177.7 | 179.2 | 0 | 0 | 0 | 0 | 107.7 | T58 V77 D83 L84 I121 K124 F125 | T58-V79 WeakPolarHBondContact CB-O 3.36Å; T58-V79 WeakPolarHBondContact CG2-O 3.46Å; T58-V79 PolarHBondContact OG1-O 3.26Å; V77-V79 HydrophobicContact CG1-CB 3.9Å; V77-V79 HydrophobicContact CG1-CG2 3.71Å; V77-V79 PolarHBondContact O-N 3.23Å; V79-D83 HydrophobicContact CG1-CB 4.46Å; V79-L84 HydrophobicContact CG1-CB 4.26Å; V79-I121 HydrophobicContact CG2-CG1 4.23Å; V79-I121 HydrophobicContact CG2-CG2 4.23Å; V79-K124 HydrophobicContact CG2-CB 3.93Å; V79-K124 HydrophobicContact CG2-CD 3.67Å; V79-K124 HydrophobicContact CG2-CG 4.47Å; V79-F125 HydrophobicContact CB-CE2 4.42Å; V79-F125 HydrophobicContact CG2-CE2 4.19Å | ||
| 80 | S | 92 | Very high | 92.1 | Very high | 43 Ų | 43 | 63.8 Ų | 63.8 | 30% | 0.301 | 32% | 0.322 | S | S | . | . | trans | -71.5 | 155.2 | 176 | 73.5 | 0 | 0 | 0 | 0 | 111 | E82 D83 L84 | S80-E82 VanDerWaalsContact C-N 3.27Å; S80-E82 PolarHBondContact O-N 3.38Å; S80-D83 PolarHBondContact O-N 2.95Å; S80-D83 VanDerWaalsContact OG-CB 3.29Å; S80-D83 WeakPolarHBondContact OG-CB 3.44Å; S80-D83 PolarHBondContact OG-N 3.05Å; S80-D83 PolarHBondContact OG-OD2 2.91Å; S80-L84 PolarHBondContact O-N 2.82Å | ||
| 81 | F | 89.9 | Confident | 91.9 | Very high | 84 Ų | 84 | 65.2 Ų | 65.2 | 37% | 0.368 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -61.8 | -40.8 | 176 | -178.5 | -85.6 | 0 | 0 | 0 | 110.9 | T58 L60 L84 E85 | T58-F81 HydrophobicContact CG2-CB 4.16Å; L60-F81 HydrophobicContact CD2-CD2 4.11Å; L60-F81 HydrophobicContact CD2-CE1 4.16Å; L60-F81 HydrophobicContact CD2-CE2 3.55Å; L60-F81 HydrophobicContact CD2-CZ 3.57Å; F81-L84 PolarHBondContact O-N 2.8Å; F81-E85 HydrophobicContact CE1-CB 4.4Å; F81-E85 WeakPolarHBondContact O-CB 3.43Å; F81-E85 PolarHBondContact O-N 3.41Å |
| 82 | E | 91.3 | Very high | 91.8 | Very high | 130 Ų | 130 | 61.3 Ų | 61.3 | 61% | 0.607 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -64.9 | -40.7 | -179.3 | -63.8 | 75.4 | -167.1 | 0 | 0 | 112.1 | S80 K86 | S80-E82 VanDerWaalsContact C-N 3.27Å; S80-E82 PolarHBondContact O-N 3.38Å; E82-K86 VanDerWaalsContact O-CB 3.25Å; E82-K86 WeakPolarHBondContact O-CB 3.48Å; E82-K86 PolarHBondContact O-N 3.3Å |
| 83 | D | 90.3 | Very high | 91.6 | Very high | 89 Ų | 89 | 64.2 Ų | 64.2 | 48% | 0.476 | 33% | 0.327 | S | S | . | . | H | α-helix | trans | -64.9 | -42.3 | 175.8 | -69.4 | -40 | 0 | 0 | 0 | 111 | V79 S80 I87 | V79-D83 HydrophobicContact CG1-CB 4.46Å; S80-D83 PolarHBondContact O-N 2.95Å; S80-D83 VanDerWaalsContact OG-CB 3.29Å; S80-D83 WeakPolarHBondContact OG-CB 3.44Å; S80-D83 PolarHBondContact OG-N 3.05Å; S80-D83 PolarHBondContact OG-OD2 2.91Å; D83-I87 WeakPolarHBondContact O-CD1 3.46Å; D83-I87 VanDerWaalsContact O-CG1 3.23Å; D83-I87 WeakPolarHBondContact O-CG1 3.49Å; D83-I87 PolarHBondContact O-N 3.5Å |
| 84 | L | 89.8 | Confident | 91.5 | Very high | 9 Ų | 9 | 63.8 Ų | 63.8 | 5% | 0.047 | 33% | 0.325 | C | S | . | . | H | α-helix | trans | -64.2 | -47.2 | 177.7 | -172.5 | 62.8 | 0 | 0 | 0 | 111.1 | T58 L60 V79 S80 F81 I87 F88 F125 | T58-L84 HydrophobicContact CG2-CB 4.49Å; T58-L84 HydrophobicContact CG2-CD2 4.05Å; L60-L84 HydrophobicContact CD1-CD2 4.34Å; L60-L84 HydrophobicContact CD1-CG 4.06Å; L60-L84 HydrophobicContact CD2-CD2 4.42Å; L60-L84 HydrophobicContact CD2-CG 4.49Å; L60-L84 HydrophobicContact CG-CD2 3.84Å; L60-L84 HydrophobicContact CG-CG 4.04Å; V79-L84 HydrophobicContact CG1-CB 4.26Å; S80-L84 PolarHBondContact O-N 2.82Å; F81-L84 PolarHBondContact O-N 2.8Å; L84-I87 PolarHBondContact O-N 3.46Å; L84-F88 HydrophobicContact CD1-CD2 4.17Å; L84-F88 HydrophobicContact CD1-CE2 3.86Å; L84-F88 HydrophobicContact CG-CD2 4.35Å; L84-F88 HydrophobicContact CG-CE2 4.29Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 PolarHBondContact O-N 3.29Å; L84-F125 HydrophobicContact CD1-CZ 4.43Å; L84-F125 HydrophobicContact CD2-CZ 4.29Å |
| 85 | E | 89.8 | Confident | 91.3 | Very high | 62 Ų | 62 | 62 Ų | 62 | 29% | 0.29 | 31% | 0.31 | S | S | . | . | H | α-helix | trans | -59.3 | -48.5 | 177.7 | -174 | 167.8 | -138.4 | 0 | 0 | 111.2 | L60 F81 I87 F88 E89 | L60-E85 HydrophobicContact CD2-CB 4.13Å; F81-E85 HydrophobicContact CE1-CB 4.4Å; F81-E85 WeakPolarHBondContact O-CB 3.43Å; F81-E85 PolarHBondContact O-N 3.41Å; E85-I87 PolarHBondContact O-N 2.96Å; E85-F88 PolarHBondContact O-N 2.91Å; E85-E89 HydrophobicContact CG-CG 4.44Å; E85-E89 WeakPolarHBondContact O-CG 3.07Å; E85-E89 PolarHBondContact O-N 3.38Å |
| 86 | K | 90.5 | Very high | 91.1 | Very high | 136 Ų | 136 | 62.2 Ų | 62.2 | 59% | 0.591 | 31% | 0.31 | S | S | * | . | H | α-helix | trans | -57.4 | -36 | 179 | -177.6 | 178.3 | 179.8 | -178.5 | 0 | 113 | E82 T90 | E82-K86 VanDerWaalsContact O-CB 3.25Å; E82-K86 WeakPolarHBondContact O-CB 3.48Å; E82-K86 PolarHBondContact O-N 3.3Å; K86-T90 WeakPolarHBondContact O-CB 3.5Å; K86-T90 PolarHBondContact O-N 3.23Å; K86-T90 PolarHBondContact O-OG1 2.82Å |
| 87 | I | 88.7 | Confident | 91 | Very high | 28 Ų | 28 | 58.9 Ų | 58.9 | 14% | 0.144 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -71 | -46.6 | 179.7 | -72.2 | 167.1 | 0 | 0 | 0 | 111.1 | D83 L84 E85 E89 T90 I91 N118 I121 | D83-I87 WeakPolarHBondContact O-CD1 3.46Å; D83-I87 VanDerWaalsContact O-CG1 3.23Å; D83-I87 WeakPolarHBondContact O-CG1 3.49Å; D83-I87 PolarHBondContact O-N 3.5Å; L84-I87 PolarHBondContact O-N 3.46Å; E85-I87 PolarHBondContact O-N 2.96Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 2.88Å; I87-T90 PolarHBondContact O-N 3.39Å; I87-I91 HydrophobicContact CG2-CD1 3.86Å; I87-I91 WeakPolarHBondContact O-CG1 3.41Å; I87-I91 PolarHBondContact O-N 2.78Å; I87-N118 VanDerWaalsContact CD1-OD1 3.29Å; I87-N118 WeakPolarHBondContact CD1-OD1 3.42Å; I87-N118 VanDerWaalsContact CG1-OD1 3.3Å; I87-N118 WeakPolarHBondContact CG1-OD1 3.22Å; I87-N118 HydrophobicContact CG2-CB 4.3Å; I87-I121 HydrophobicContact CD1-CD1 2.93Å; I87-I121 HydrophobicContact CD1-CG1 4.44Å; I87-I121 HydrophobicContact CG1-CD1 4.42Å |
| 88 | F | 88.1 | Confident | 90.9 | Very high | 50 Ų | 50 | 61.6 Ų | 61.6 | 22% | 0.219 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -58.2 | -44.8 | 174 | -89 | -100.7 | 0 | 0 | 0 | 110.8 | L60 L84 E85 T90 I91 I92 M311 | L60-F88 HydrophobicContact CD1-CB 4.24Å; L60-F88 HydrophobicContact CD1-CD1 4.29Å; L60-F88 HydrophobicContact CD1-CD2 3.56Å; L60-F88 HydrophobicContact CD1-CE2 3.9Å; L60-F88 HydrophobicContact CD1-CG 3.77Å; L60-F88 HydrophobicContact CD1-CZ 4.4Å; L84-F88 HydrophobicContact CD1-CD2 4.17Å; L84-F88 HydrophobicContact CD1-CE2 3.86Å; L84-F88 HydrophobicContact CG-CD2 4.35Å; L84-F88 HydrophobicContact CG-CE2 4.29Å; L84-F88 WeakPolarHBondContact O-CD2 3.47Å; L84-F88 PolarHBondContact O-N 3.29Å; E85-F88 PolarHBondContact O-N 2.91Å; F88-T90 PolarHBondContact O-N 3.31Å; F88-I91 PolarHBondContact O-N 2.93Å; F88-I92 VanDerWaalsContact O-CB 3.3Å; F88-I92 WeakPolarHBondContact O-CB 3.37Å; F88-I92 WeakPolarHBondContact O-CD1 3.15Å; F88-I92 WeakPolarHBondContact O-CG1 3.25Å; F88-I92 PolarHBondContact O-N 2.97Å; F88-M311 HydrophobicContact CD1-SD 4.49Å |
| 89 | E | 89.7 | Confident | 90.9 | Very high | 120 Ų | 120 | 57.2 Ų | 57.2 | 56% | 0.561 | 28% | 0.276 | S | S | * | . | H | α-helix | trans | -60.7 | -44.7 | 176 | -72.8 | -172.9 | 158 | 0 | 0 | 112.4 | E85 I87 I92 H93 | E85-E89 HydrophobicContact CG-CG 4.44Å; E85-E89 WeakPolarHBondContact O-CG 3.07Å; E85-E89 PolarHBondContact O-N 3.38Å; I87-E89 VanDerWaalsContact C-N 3.29Å; I87-E89 PolarHBondContact O-N 2.88Å; E89-I92 PolarHBondContact O-N 2.85Å; E89-H93 WeakPolarHBondContact O-CB 3.03Å; E89-H93 PolarHBondContact O-N 2.94Å |
| 90 | T | 91.4 | Very high | 90.9 | Very high | 62 Ų | 62 | 59.7 Ų | 59.7 | 38% | 0.38 | 29% | 0.289 | S | S | . | . | H | α-helix | trans | -62.4 | -45.9 | 179.6 | -57.8 | 0 | 0 | 0 | 0 | 111.2 | K86 I87 F88 H93 F94 L114 | K86-T90 WeakPolarHBondContact O-CB 3.5Å; K86-T90 PolarHBondContact O-N 3.23Å; K86-T90 PolarHBondContact O-OG1 2.82Å; I87-T90 PolarHBondContact O-N 3.39Å; F88-T90 PolarHBondContact O-N 3.31Å; T90-H93 PolarHBondContact O-N 3.45Å; T90-F94 PolarHBondContact O-N 3.16Å; T90-L114 HydrophobicContact CG2-CD2 3.74Å |
| 91 | I | 89.9 | Confident | 91 | Very high | 47 Ų | 47 | 63.9 Ų | 63.9 | 24% | 0.241 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.6 | -47.6 | 179 | -68 | 170.6 | 0 | 0 | 0 | 110.3 | I87 F88 H93 F94 F95 | I87-I91 HydrophobicContact CG2-CD1 3.86Å; I87-I91 WeakPolarHBondContact O-CG1 3.41Å; I87-I91 PolarHBondContact O-N 2.78Å; F88-I91 PolarHBondContact O-N 2.93Å; I91-H93 VanDerWaalsContact C-N 3.33Å; I91-H93 PolarHBondContact O-N 3.36Å; I91-F94 PolarHBondContact O-N 2.84Å; I91-F95 HydrophobicContact CG2-CD2 3.81Å; I91-F95 HydrophobicContact CG2-CE2 3.68Å; I91-F95 WeakPolarHBondContact O-CD2 3.09Å; I91-F95 PolarHBondContact O-N 3.21Å |
| 92 | I | 90.7 | Very high | 91.2 | Very high | 28 Ų | 28 | 62.4 Ų | 62.4 | 14% | 0.144 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -62.3 | -42.8 | 179.1 | -70.7 | 168.5 | 0 | 0 | 0 | 110.5 | F88 E89 F95 M96 M311 F395 | F88-I92 VanDerWaalsContact O-CB 3.3Å; F88-I92 WeakPolarHBondContact O-CB 3.37Å; F88-I92 WeakPolarHBondContact O-CD1 3.15Å; F88-I92 WeakPolarHBondContact O-CG1 3.25Å; F88-I92 PolarHBondContact O-N 2.97Å; E89-I92 PolarHBondContact O-N 2.85Å; I92-F95 PolarHBondContact O-N 3.42Å; I92-M96 HydrophobicContact CG2-CG 4.13Å; I92-M96 HydrophobicContact CG2-SD 3.36Å; I92-M96 WeakPolarHBondContact CG2-SD 3.26Å; I92-M96 VanDerWaalsContact O-CB 3.27Å; I92-M96 WeakPolarHBondContact O-CB 3.49Å; I92-M96 WeakPolarHBondContact O-CG 3.37Å; I92-M96 PolarHBondContact O-N 3.4Å; I92-M311 HydrophobicContact CD1-CB 3.96Å; I92-M311 HydrophobicContact CD1-SD 4.33Å; I92-F395 HydrophobicContact CG2-CD1 4.43Å |
| 93 | H | 91.9 | Very high | 91.3 | Very high | 90 Ų | 90 | 59.7 Ų | 59.7 | 42% | 0.417 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -59.5 | -48.5 | 178.5 | -175.9 | -84.1 | 0 | 0 | 0 | 111.7 | E89 T90 I91 F95 M96 Y97 E98 | E89-H93 WeakPolarHBondContact O-CB 3.03Å; E89-H93 PolarHBondContact O-N 2.94Å; T90-H93 PolarHBondContact O-N 3.45Å; I91-H93 VanDerWaalsContact C-N 3.33Å; I91-H93 PolarHBondContact O-N 3.36Å; H93-F95 PolarHBondContact O-N 3.07Å; H93-M96 PolarHBondContact O-N 3.32Å; H93-Y97 AromaticContact CD2-CD2 3.56Å; H93-Y97 AromaticContact NE2-CD2 3.85Å; H93-Y97 PolarHBondContact O-N 3.46Å; H93-E98 IonicContact CE1-OE1 2.88Å; H93-E98 PolarHBondContact CE1-OE1 3.23Å; H93-E98 VanDerWaalsContact CE1-OE1 3.24Å; H93-E98 IonicContact ND1-OE1 2.85Å; H93-E98 PolarHBondContact ND1-OE1 3.47Å |
| 94 | F | 92.9 | Very high | 91.1 | Very high | 3 Ų | 3 | 60.6 Ų | 60.6 | 1% | 0.013 | 30% | 0.297 | C | S | . | . | I | π-helix | trans | -54.5 | -52.1 | 176.9 | 166 | -107.5 | 0 | 0 | 0 | 111.6 | T90 I91 M96 E98 M99 M102 I107 T110 L114 | T90-F94 PolarHBondContact O-N 3.16Å; I91-F94 PolarHBondContact O-N 2.84Å; F94-M96 PolarHBondContact O-N 3.34Å; F94-E98 HydrophobicContact CD2-CB 4.07Å; F94-E98 WeakPolarHBondContact O-CB 3.32Å; F94-E98 PolarHBondContact O-N 3.25Å; F94-E98 VanDerWaalsContact O-N 3.11Å; F94-M99 HydrophobicContact CE2-CB 4.49Å; F94-M99 HydrophobicContact CZ-CB 4.3Å; F94-M99 HydrophobicContact CZ-CG 4.45Å; F94-M99 PolarHBondContact O-N 2.99Å; F94-M102 HydrophobicContact CE2-CE 4.26Å; F94-M102 HydrophobicContact CE2-SD 3.78Å; F94-I107 HydrophobicContact CZ-CG2 4.31Å; F94-T110 HydrophobicContact CD2-CG2 3.56Å; F94-T110 HydrophobicContact CE2-CG2 3.34Å; F94-T110 HydrophobicContact CG-CG2 4.37Å; F94-T110 HydrophobicContact CZ-CG2 3.99Å; F94-L114 HydrophobicContact CB-CD1 3.86Å; F94-L114 HydrophobicContact CD1-CD1 3.68Å; F94-L114 HydrophobicContact CD2-CD1 4.34Å; F94-L114 HydrophobicContact CE1-CD1 4.32Å; F94-L114 HydrophobicContact CG-CD1 3.68Å |
| 95 | F | 91.4 | Very high | 91.1 | Very high | 36 Ų | 36 | 67.2 Ų | 67.2 | 16% | 0.158 | 33% | 0.326 | C | S | . | . | I | π-helix | trans | -64.5 | -40 | -179.6 | -79.4 | -67.4 | 0 | 0 | 0 | 112.8 | I91 I92 H93 M99 F111 F395 | I91-F95 HydrophobicContact CG2-CD2 3.81Å; I91-F95 HydrophobicContact CG2-CE2 3.68Å; I91-F95 WeakPolarHBondContact O-CD2 3.09Å; I91-F95 PolarHBondContact O-N 3.21Å; I92-F95 PolarHBondContact O-N 3.42Å; H93-F95 PolarHBondContact O-N 3.07Å; F95-M99 HydrophobicContact CD1-CE 3.96Å; F95-M99 HydrophobicContact CD1-SD 3.6Å; F95-M99 HydrophobicContact CE1-SD 3.93Å; F95-F111 HydrophobicContact CE2-CE2 4.3Å; F95-F111 AromaticContact CZ-CD2 3.92Å; F95-F111 HydrophobicContact CZ-CD2 3.92Å; F95-F111 AromaticContact CZ-CE2 3.75Å; F95-F111 HydrophobicContact CZ-CE2 3.75Å; F95-F395 HydrophobicContact CB-CB 3.31Å; F95-F395 HydrophobicContact CD2-CB 4.18Å; F95-F395 HydrophobicContact CG-CB 3.79Å |
| 96 | M | 91.8 | Very high | 91.2 | Very high | 5 Ų | 5 | 68.4 Ų | 68.4 | 3% | 0.025 | 33% | 0.331 | C | S | . | . | I | π-helix | trans | -77.5 | -39.8 | -174.1 | -78.1 | -178.2 | 41.6 | 0 | 0 | 113.6 | I92 H93 F94 V312 M394 F395 F416 N417 | I92-M96 HydrophobicContact CG2-CG 4.13Å; I92-M96 HydrophobicContact CG2-SD 3.36Å; I92-M96 WeakPolarHBondContact CG2-SD 3.26Å; I92-M96 VanDerWaalsContact O-CB 3.27Å; I92-M96 WeakPolarHBondContact O-CB 3.49Å; I92-M96 WeakPolarHBondContact O-CG 3.37Å; I92-M96 PolarHBondContact O-N 3.4Å; H93-M96 PolarHBondContact O-N 3.32Å; F94-M96 PolarHBondContact O-N 3.34Å; M96-V312 HydrophobicContact CE-CG1 4.31Å; M96-V312 HydrophobicContact SD-CG2 3.91Å; M96-M394 HydrophobicContact CE-CE 3.25Å; M96-M394 HydrophobicContact CG-CB 3.93Å; M96-M394 HydrophobicContact CG-CE 4.17Å; M96-M394 WeakPolarHBondContact CG-O 3.43Å; M96-M394 HydrophobicContact SD-CB 4.16Å; M96-M394 HydrophobicContact SD-CE 3.81Å; M96-F395 HydrophobicContact CG-CD1 4.33Å; M96-F395 HydrophobicContact SD-CD1 4.37Å; M96-F416 HydrophobicContact CE-CE1 4.36Å; M96-F416 HydrophobicContact CE-CZ 4.42Å; M96-N417 PolarHBondContact O-ND2 2.91Å; M96-N417 PolarHBondContact O-OD1 3.07Å |
| 97 | Y | 91.9 | Very high | 91.2 | Very high | 65 Ų | 65 | 64 Ų | 64 | 26% | 0.255 | 31% | 0.314 | S | S | . | . | I | π-helix | trans | -120 | -17.6 | -165.5 | -61.5 | -74 | 0 | 0 | 0 | 114.4 | H93 F101 F416 | H93-Y97 AromaticContact CD2-CD2 3.56Å; H93-Y97 AromaticContact NE2-CD2 3.85Å; H93-Y97 PolarHBondContact O-N 3.46Å; Y97-F101 VanDerWaalsContact O-CD2 3.22Å; Y97-F101 WeakPolarHBondContact O-CD2 3.31Å; Y97-F101 VanDerWaalsContact O-CE2 3.23Å; Y97-F101 WeakPolarHBondContact O-CE2 3.49Å; Y97-F416 HydrophobicContact CD1-CE1 4.01Å; Y97-F416 AromaticContact CE1-CE1 3.5Å; Y97-F416 HydrophobicContact CE1-CE1 3.5Å; Y97-F416 AromaticContact CE1-CZ 3.92Å; Y97-F416 HydrophobicContact CE1-CZ 3.92Å |
| 98 | E | 93.4 | Very high | 91.1 | Very high | 72 Ų | 72 | 65.3 Ų | 65.3 | 34% | 0.336 | 32% | 0.318 | S | S | . | . | I | π-helix | trans | -112.6 | -46.3 | -173 | -64.6 | 176.1 | -142.5 | 0 | 0 | 112.5 | H93 F94 D100 F101 M102 | H93-E98 IonicContact CE1-OE1 2.88Å; H93-E98 PolarHBondContact CE1-OE1 3.23Å; H93-E98 VanDerWaalsContact CE1-OE1 3.24Å; H93-E98 IonicContact ND1-OE1 2.85Å; H93-E98 PolarHBondContact ND1-OE1 3.47Å; F94-E98 HydrophobicContact CD2-CB 4.07Å; F94-E98 WeakPolarHBondContact O-CB 3.32Å; F94-E98 PolarHBondContact O-N 3.25Å; F94-E98 VanDerWaalsContact O-N 3.11Å; E98-D100 VanDerWaalsContact C-N 3.28Å; E98-D100 PolarHBondContact O-N 2.79Å; E98-D100 VanDerWaalsContact O-N 3.16Å; E98-F101 PolarHBondContact O-N 3.26Å; E98-M102 HydrophobicContact CB-CE 3.86Å |
| 99 | M | 92.1 | Very high | 91.1 | Very high | 31 Ų | 31 | 65.5 Ų | 65.5 | 15% | 0.153 | 32% | 0.323 | C | S | . | . | G | 310 helix | trans | -55.3 | -38.5 | -171.1 | -176.1 | -173.1 | 61 | 0 | 0 | 113.6 | F94 F95 F101 M102 I107 | F94-M99 HydrophobicContact CE2-CB 4.49Å; F94-M99 HydrophobicContact CZ-CB 4.3Å; F94-M99 HydrophobicContact CZ-CG 4.45Å; F94-M99 PolarHBondContact O-N 2.99Å; F95-M99 HydrophobicContact CD1-CE 3.96Å; F95-M99 HydrophobicContact CD1-SD 3.6Å; F95-M99 HydrophobicContact CE1-SD 3.93Å; M99-F101 PolarHBondContact O-N 2.88Å; M99-M102 PolarHBondContact O-N 3.01Å; M99-I107 HydrophobicContact CG-CD1 3.73Å; M99-I107 HydrophobicContact CG-CG1 3.89Å; M99-I107 HydrophobicContact CG-CG2 4.06Å; M99-I107 HydrophobicContact SD-CG2 4.38Å |
| 100 | D | 91.4 | Very high | 91.2 | Very high | 63 Ų | 63 | 61.8 Ų | 61.8 | 34% | 0.337 | 31% | 0.308 | S | S | . | . | G | 310 helix | trans | -65.8 | -16 | -179.3 | -83.6 | -17 | 0 | 0 | 0 | 113.8 | E98 N417 F418 | E98-D100 VanDerWaalsContact C-N 3.28Å; E98-D100 PolarHBondContact O-N 2.79Å; E98-D100 VanDerWaalsContact O-N 3.16Å; D100-N417 PolarHBondContact OD2-ND2 3.49Å; D100-F418 HydrophobicContact CB-CE2 4.1Å; D100-F418 HydrophobicContact CB-CZ 4.31Å |
| 101 | F | 93.8 | Very high | 91 | Very high | 131 Ų | 131 | 60.4 Ų | 60.4 | 58% | 0.575 | 30% | 0.297 | S | S | * | . | G | 310 helix | trans | -104.4 | 2.6 | -178.9 | -55.5 | -75.6 | 0 | 0 | 0 | 113.1 | Y97 E98 M99 N417 F418 | Y97-F101 VanDerWaalsContact O-CD2 3.22Å; Y97-F101 WeakPolarHBondContact O-CD2 3.31Å; Y97-F101 VanDerWaalsContact O-CE2 3.23Å; Y97-F101 WeakPolarHBondContact O-CE2 3.49Å; E98-F101 PolarHBondContact O-N 3.26Å; M99-F101 PolarHBondContact O-N 2.88Å; F101-N417 HydrophobicContact CE2-CB 4.2Å; F101-N417 HydrophobicContact CZ-CB 3.88Å; F101-F418 HydrophobicContact CD1-CE1 4.48Å; F101-F418 HydrophobicContact CD1-CZ 4.37Å; F101-F418 AromaticContact CE1-CE1 3.76Å; F101-F418 HydrophobicContact CE1-CE1 3.76Å; F101-F418 AromaticContact CE1-CZ 3.92Å; F101-F418 HydrophobicContact CE1-CZ 3.92Å; F101-F418 HydrophobicContact CZ-CE1 4.38Å; F101-F418 HydrophobicContact CZ-CZ 4.45Å |
| 102 | M | 94.5 | Very high | 90.9 | Very high | 53 Ų | 53 | 61.2 Ų | 61.2 | 26% | 0.261 | 30% | 0.297 | S | S | . | . | S | Bend | trans | -106 | 154.1 | -177.3 | -70.4 | 179.7 | -177.4 | 0 | 0 | 111.7 | F94 E98 M99 E106 I107 | F94-M102 HydrophobicContact CE2-CE 4.26Å; F94-M102 HydrophobicContact CE2-SD 3.78Å; E98-M102 HydrophobicContact CB-CE 3.86Å; M99-M102 PolarHBondContact O-N 3.01Å; M102-E106 WeakPolarHBondContact CA-OE2 3.4Å; M102-E106 HydrophobicContact CB-CB 3.94Å; M102-E106 HydrophobicContact CG-CB 4.22Å; M102-E106 HydrophobicContact SD-CB 4.34Å; M102-I107 HydrophobicContact CB-CD1 4.36Å; M102-I107 HydrophobicContact CB-CG1 3.63Å |
| 103 | N | 92.9 | Very high | 90.8 | Very high | 73 Ų | 73 | 63.4 Ų | 63.4 | 39% | 0.39 | 31% | 0.309 | S | S | . | . | trans | -81.9 | 162.3 | 168.7 | 77 | 70.1 | 0 | 0 | 0 | 111.3 | F105 E106 I107 | N103-F105 PolarHBondContact O-N 3.15Å; N103-F105 VanDerWaalsContact O-N 3.09Å; N103-F105 WeakPolarHBondContact OD1-CB 3.5Å; N103-F105 PolarHBondContact OD1-N 3.18Å; N103-E106 PolarHBondContact N-OE2 2.96Å; N103-E106 WeakPolarHBondContact ND2-CG 3.35Å; N103-E106 PolarHBondContact ND2-OE1 2.84Å; N103-E106 PolarHBondContact ND2-OE2 2.81Å; N103-E106 PolarHBondContact O-N 2.86Å; N103-E106 PolarHBondContact OD1-N 3.17Å; N103-I107 WeakPolarHBondContact O-CG1 3.16Å; N103-I107 PolarHBondContact O-N 3.38Å | ||
| 104 | P | 86.9 | Confident | 90.6 | Very high | 109 Ų | 109 | 60.4 Ų | 60.4 | 71% | 0.708 | 30% | 0.296 | S | S | * | . | H | α-helix | trans | -55.8 | -31.8 | -174.9 | -29 | 36.4 | 0 | 0 | 0 | 115.4 | Y108 | P104-Y108 WeakPolarHBondContact O-CB 3.16Å; P104-Y108 PolarHBondContact O-N 2.98Å; P104-Y108 VanDerWaalsContact O-N 3.07Å |
| 105 | F | 88.4 | Confident | 90.2 | Very high | 147 Ų | 147 | 63.6 Ų | 63.6 | 65% | 0.645 | 31% | 0.312 | S | S | * | . | H | α-helix | trans | -72.3 | -42.2 | 177.8 | 176.8 | -97.3 | 0 | 0 | 0 | 111.7 | N103 Y108 V109 | N103-F105 PolarHBondContact O-N 3.15Å; N103-F105 VanDerWaalsContact O-N 3.09Å; N103-F105 WeakPolarHBondContact OD1-CB 3.5Å; N103-F105 PolarHBondContact OD1-N 3.18Å; F105-Y108 WeakPolarHBondContact O-CB 3.37Å; F105-Y108 PolarHBondContact O-N 2.85Å; F105-V109 HydrophobicContact CD1-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.84Å; F105-V109 HydrophobicContact CE2-CG2 4.12Å; F105-V109 HydrophobicContact CZ-CG2 3.74Å; F105-V109 WeakPolarHBondContact O-CG2 3.46Å; F105-V109 PolarHBondContact O-N 3.08Å |
| 106 | E | 93.1 | Very high | 89.7 | Confident | 87 Ų | 87 | 66.3 Ų | 66.3 | 41% | 0.407 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -62.2 | -45.4 | 174.7 | -72.4 | 166.6 | 160.4 | 0 | 0 | 111.2 | M102 N103 Y108 V109 T110 | M102-E106 WeakPolarHBondContact CA-OE2 3.4Å; M102-E106 HydrophobicContact CB-CB 3.94Å; M102-E106 HydrophobicContact CG-CB 4.22Å; M102-E106 HydrophobicContact SD-CB 4.34Å; N103-E106 PolarHBondContact N-OE2 2.96Å; N103-E106 WeakPolarHBondContact ND2-CG 3.35Å; N103-E106 PolarHBondContact ND2-OE1 2.84Å; N103-E106 PolarHBondContact ND2-OE2 2.81Å; N103-E106 PolarHBondContact O-N 2.86Å; N103-E106 PolarHBondContact OD1-N 3.17Å; E106-Y108 VanDerWaalsContact C-N 3.25Å; E106-Y108 PolarHBondContact O-N 2.95Å; E106-V109 PolarHBondContact O-N 3.37Å; E106-T110 WeakPolarHBondContact O-CB 3.39Å; E106-T110 PolarHBondContact O-N 3.18Å; E106-T110 PolarHBondContact O-OG1 3.49Å; E106-T110 VanDerWaalsContact O-OG1 3.13Å |
| 107 | I | 89.9 | Confident | 89.1 | Confident | 45 Ų | 45 | 71.7 Ų | 71.7 | 23% | 0.231 | 35% | 0.353 | C | S | . | . | H | α-helix | trans | -55.4 | -46.5 | 175.2 | -64.8 | 171.8 | 0 | 0 | 0 | 110 | F94 M99 M102 N103 F111 | F94-I107 HydrophobicContact CZ-CG2 4.31Å; M99-I107 HydrophobicContact CG-CD1 3.73Å; M99-I107 HydrophobicContact CG-CG1 3.89Å; M99-I107 HydrophobicContact CG-CG2 4.06Å; M99-I107 HydrophobicContact SD-CG2 4.38Å; M102-I107 HydrophobicContact CB-CD1 4.36Å; M102-I107 HydrophobicContact CB-CG1 3.63Å; N103-I107 WeakPolarHBondContact O-CG1 3.16Å; N103-I107 PolarHBondContact O-N 3.38Å; I107-F111 WeakPolarHBondContact O-CB 3.27Å; I107-F111 PolarHBondContact O-N 3.16Å |
| 108 | Y | 85.9 | Confident | 88.6 | Confident | 55 Ų | 55 | 70.2 Ų | 70.2 | 22% | 0.216 | 35% | 0.349 | C | S | . | . | H | α-helix | trans | -61.8 | -49.3 | -180 | 177 | -92 | 0 | 0 | 0 | 112.5 | P104 F105 E106 F111 Y112 L218 M222 | P104-Y108 WeakPolarHBondContact O-CB 3.16Å; P104-Y108 PolarHBondContact O-N 2.98Å; P104-Y108 VanDerWaalsContact O-N 3.07Å; F105-Y108 WeakPolarHBondContact O-CB 3.37Å; F105-Y108 PolarHBondContact O-N 2.85Å; E106-Y108 VanDerWaalsContact C-N 3.25Å; E106-Y108 PolarHBondContact O-N 2.95Å; Y108-F111 PolarHBondContact O-N 3.05Å; Y108-Y112 WeakPolarHBondContact O-CB 3.24Å; Y108-Y112 PolarHBondContact O-N 3.5Å; Y108-L218 HydrophobicContact CD2-CD1 4.07Å; Y108-L218 HydrophobicContact CD2-CD2 4.45Å; Y108-L218 HydrophobicContact CD2-CG 4.35Å; Y108-L218 HydrophobicContact CE2-CD1 3.83Å; Y108-L218 HydrophobicContact CE2-CG 4.34Å; Y108-M222 HydrophobicContact CD2-CG 4.45Å; Y108-M222 HydrophobicContact CD2-SD 4.02Å; Y108-M222 HydrophobicContact CE2-CB 3.86Å; Y108-M222 HydrophobicContact CE2-CG 3.66Å; Y108-M222 HydrophobicContact CE2-SD 3.82Å |
| 109 | V | 89.7 | Confident | 87.9 | Confident | 54 Ų | 54 | 69.7 Ų | 69.7 | 33% | 0.327 | 35% | 0.346 | S | S | . | . | H | α-helix | trans | -63.4 | -47.5 | -179.4 | 171.8 | 0 | 0 | 0 | 0 | 110.8 | F105 E106 F111 Y112 D113 | F105-V109 HydrophobicContact CD1-CG2 4.31Å; F105-V109 HydrophobicContact CE1-CG2 3.84Å; F105-V109 HydrophobicContact CE2-CG2 4.12Å; F105-V109 HydrophobicContact CZ-CG2 3.74Å; F105-V109 WeakPolarHBondContact O-CG2 3.46Å; F105-V109 PolarHBondContact O-N 3.08Å; E106-V109 PolarHBondContact O-N 3.37Å; V109-F111 PolarHBondContact O-N 2.89Å; V109-Y112 WeakPolarHBondContact O-CB 3.28Å; V109-Y112 PolarHBondContact O-N 3.41Å; V109-D113 PolarHBondContact O-N 3.28Å |
| 110 | T | 91.6 | Very high | 87.4 | Confident | 41 Ų | 41 | 73 Ų | 73 | 25% | 0.252 | 36% | 0.364 | S | S | . | . | H | α-helix | trans | -63.6 | -42.8 | 179.4 | -58.8 | 0 | 0 | 0 | 0 | 111.5 | F94 E106 Y112 D113 L114 | F94-T110 HydrophobicContact CD2-CG2 3.56Å; F94-T110 HydrophobicContact CE2-CG2 3.34Å; F94-T110 HydrophobicContact CG-CG2 4.37Å; F94-T110 HydrophobicContact CZ-CG2 3.99Å; E106-T110 WeakPolarHBondContact O-CB 3.39Å; E106-T110 PolarHBondContact O-N 3.18Å; E106-T110 PolarHBondContact O-OG1 3.49Å; E106-T110 VanDerWaalsContact O-OG1 3.13Å; T110-Y112 PolarHBondContact O-N 3.24Å; T110-D113 PolarHBondContact O-N 2.76Å; T110-L114 HydrophobicContact CG2-CD1 4.18Å; T110-L114 HydrophobicContact CG2-CG 4.45Å; T110-L114 WeakPolarHBondContact O-CB 3.27Å; T110-L114 WeakPolarHBondContact O-CG 3.27Å; T110-L114 PolarHBondContact O-N 3.37Å |
| 111 | F | 87.3 | Confident | 87.2 | Confident | 33 Ų | 33 | 71.7 Ų | 71.7 | 15% | 0.145 | 36% | 0.357 | C | S | . | . | H | α-helix | trans | -63.3 | -42 | 176.2 | -174.8 | -102.3 | 0 | 0 | 0 | 111.9 | F95 I107 Y108 V109 D113 L114 M115 L175 M222 | F95-F111 HydrophobicContact CE2-CE2 4.3Å; F95-F111 AromaticContact CZ-CD2 3.92Å; F95-F111 HydrophobicContact CZ-CD2 3.92Å; F95-F111 AromaticContact CZ-CE2 3.75Å; F95-F111 HydrophobicContact CZ-CE2 3.75Å; I107-F111 WeakPolarHBondContact O-CB 3.27Å; I107-F111 PolarHBondContact O-N 3.16Å; Y108-F111 PolarHBondContact O-N 3.05Å; V109-F111 PolarHBondContact O-N 2.89Å; F111-D113 PolarHBondContact O-N 2.81Å; F111-L114 PolarHBondContact O-N 2.93Å; F111-M115 HydrophobicContact CD1-CG 4.12Å; F111-M115 HydrophobicContact CD2-CG 4.43Å; F111-M115 HydrophobicContact CE1-CG 3.69Å; F111-M115 HydrophobicContact CE2-CG 4.02Å; F111-M115 HydrophobicContact CE2-SD 4.14Å; F111-M115 HydrophobicContact CG-CG 4.48Å; F111-M115 HydrophobicContact CZ-CG 3.63Å; F111-M115 HydrophobicContact CZ-SD 3.9Å; F111-M115 WeakPolarHBondContact O-CG 3.42Å; F111-M115 PolarHBondContact O-N 2.94Å; F111-L175 HydrophobicContact CE1-CD1 4.19Å; F111-L175 HydrophobicContact CZ-CD1 4Å; F111-M222 HydrophobicContact CD1-CE 4.03Å; F111-M222 HydrophobicContact CD1-SD 3.72Å; F111-M222 HydrophobicContact CE1-CE 3.67Å; F111-M222 HydrophobicContact CE1-SD 3.99Å |
| 112 | Y | 87.6 | Confident | 86.9 | Confident | 65 Ų | 65 | 67.9 Ų | 67.9 | 26% | 0.255 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -57.4 | -47.8 | 174.5 | 176.5 | -88.2 | 0 | 0 | 0 | 111.6 | Y108 V109 T110 M115 K116 Q225 I226 | Y108-Y112 WeakPolarHBondContact O-CB 3.24Å; Y108-Y112 PolarHBondContact O-N 3.5Å; V109-Y112 WeakPolarHBondContact O-CB 3.28Å; V109-Y112 PolarHBondContact O-N 3.41Å; T110-Y112 PolarHBondContact O-N 3.24Å; Y112-M115 PolarHBondContact O-N 2.8Å; Y112-K116 HydrophobicContact CD1-CD 4.46Å; Y112-K116 HydrophobicContact CE1-CB 4.43Å; Y112-K116 HydrophobicContact CE1-CD 3.61Å; Y112-K116 WeakPolarHBondContact O-CB 3.24Å; Y112-K116 PolarHBondContact O-N 2.99Å; Y112-Q225 HydrophobicContact CE2-CB 4.43Å; Y112-I226 HydrophobicContact CD2-CD1 3.63Å; Y112-I226 HydrophobicContact CD2-CG1 3.33Å; Y112-I226 HydrophobicContact CE2-CD1 4.41Å; Y112-I226 HydrophobicContact CE2-CG1 3.61Å; Y112-I226 HydrophobicContact CG-CD1 4.29Å; Y112-I226 HydrophobicContact CG-CG1 4.33Å |
| 113 | D | 88.4 | Confident | 86.8 | Confident | 73 Ų | 73 | 66.7 Ų | 66.7 | 39% | 0.39 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -66.1 | -41.8 | 180 | -75.4 | -23.4 | 0 | 0 | 0 | 112.1 | V109 T110 F111 M115 K116 N117 | V109-D113 PolarHBondContact O-N 3.28Å; T110-D113 PolarHBondContact O-N 2.76Å; F111-D113 PolarHBondContact O-N 2.81Å; D113-M115 PolarHBondContact O-N 3.09Å; D113-K116 PolarHBondContact O-N 3.12Å; D113-N117 VanDerWaalsContact O-CB 3.26Å; D113-N117 WeakPolarHBondContact O-CB 3.5Å; D113-N117 PolarHBondContact O-N 3.1Å; D113-N117 PolarHBondContact O-ND2 2.84Å |
| 114 | L | 88.1 | Confident | 86.9 | Confident | 27 Ų | 27 | 66.8 Ų | 66.8 | 14% | 0.141 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -58.3 | -49.3 | 174.2 | -74.8 | 172.8 | 0 | 0 | 0 | 111.4 | T90 F94 T110 F111 N118 | T90-L114 HydrophobicContact CG2-CD2 3.74Å; F94-L114 HydrophobicContact CB-CD1 3.86Å; F94-L114 HydrophobicContact CD1-CD1 3.68Å; F94-L114 HydrophobicContact CD2-CD1 4.34Å; F94-L114 HydrophobicContact CE1-CD1 4.32Å; F94-L114 HydrophobicContact CG-CD1 3.68Å; T110-L114 HydrophobicContact CG2-CD1 4.18Å; T110-L114 HydrophobicContact CG2-CG 4.45Å; T110-L114 WeakPolarHBondContact O-CB 3.27Å; T110-L114 WeakPolarHBondContact O-CG 3.27Å; T110-L114 PolarHBondContact O-N 3.37Å; F111-L114 PolarHBondContact O-N 2.93Å; L114-N118 WeakPolarHBondContact O-CB 3.22Å; L114-N118 PolarHBondContact O-N 2.96Å; L114-N118 PolarHBondContact O-ND2 3.01Å |
| 115 | M | 84.3 | Confident | 87.3 | Confident | 70 Ų | 70 | 62 Ų | 62 | 35% | 0.345 | 30% | 0.302 | S | S | . | . | H | α-helix | trans | -67 | -42.9 | -179.6 | -67.2 | -58.1 | -64.5 | 0 | 0 | 111.8 | F111 Y112 D113 N117 N118 K119 I226 | F111-M115 HydrophobicContact CD1-CG 4.12Å; F111-M115 HydrophobicContact CD2-CG 4.43Å; F111-M115 HydrophobicContact CE1-CG 3.69Å; F111-M115 HydrophobicContact CE2-CG 4.02Å; F111-M115 HydrophobicContact CE2-SD 4.14Å; F111-M115 HydrophobicContact CG-CG 4.48Å; F111-M115 HydrophobicContact CZ-CG 3.63Å; F111-M115 HydrophobicContact CZ-SD 3.9Å; F111-M115 WeakPolarHBondContact O-CG 3.42Å; F111-M115 PolarHBondContact O-N 2.94Å; Y112-M115 PolarHBondContact O-N 2.8Å; D113-M115 PolarHBondContact O-N 3.09Å; M115-N117 PolarHBondContact O-N 2.93Å; M115-N118 PolarHBondContact O-N 3.42Å; M115-K119 PolarHBondContact O-N 3.15Å; M115-K119 VanDerWaalsContact O-N 3.11Å; M115-I226 HydrophobicContact CB-CD1 4.27Å; M115-I226 HydrophobicContact CB-CG2 3.5Å; M115-I226 VanDerWaalsContact CB-CG2 3.5Å; M115-I226 HydrophobicContact CG-CG2 4.33Å |
| 116 | K | 81.8 | Confident | 87.6 | Confident | 94 Ų | 94 | 55 Ų | 55 | 41% | 0.409 | 27% | 0.272 | S | S | . | . | H | α-helix | trans | -62.8 | -40.4 | 179 | 179.2 | 179 | 173.4 | -175.5 | 0 | 112.4 | Y112 D113 N118 K119 | Y112-K116 HydrophobicContact CD1-CD 4.46Å; Y112-K116 HydrophobicContact CE1-CB 4.43Å; Y112-K116 HydrophobicContact CE1-CD 3.61Å; Y112-K116 WeakPolarHBondContact O-CB 3.24Å; Y112-K116 PolarHBondContact O-N 2.99Å; D113-K116 PolarHBondContact O-N 3.12Å; K116-N118 VanDerWaalsContact C-N 3.3Å; K116-N118 PolarHBondContact O-N 3.28Å; K116-K119 WeakPolarHBondContact O-CD 3.39Å; K116-K119 VanDerWaalsContact O-CG 3.24Å; K116-K119 WeakPolarHBondContact O-CG 3.28Å |
| 117 | N | 79.2 | Confident | 87.7 | Confident | 118 Ų | 118 | 53.3 Ų | 53.3 | 63% | 0.631 | 27% | 0.266 | S | S | * | . | H | α-helix | trans | -71.8 | -26.8 | -179 | -70 | -25.6 | 0 | 0 | 0 | 112.4 | D113 M115 | D113-N117 VanDerWaalsContact O-CB 3.26Å; D113-N117 WeakPolarHBondContact O-CB 3.5Å; D113-N117 PolarHBondContact O-N 3.1Å; D113-N117 PolarHBondContact O-ND2 2.84Å; M115-N117 PolarHBondContact O-N 2.93Å |
| 118 | N | 79.9 | Confident | 88.1 | Confident | 34 Ų | 34 | 51.6 Ų | 51.6 | 18% | 0.182 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -95.4 | -7 | -178.5 | -66.1 | -47.4 | 0 | 0 | 0 | 114 | I87 L114 M115 K116 N120 I121 | I87-N118 VanDerWaalsContact CD1-OD1 3.29Å; I87-N118 WeakPolarHBondContact CD1-OD1 3.42Å; I87-N118 VanDerWaalsContact CG1-OD1 3.3Å; I87-N118 WeakPolarHBondContact CG1-OD1 3.22Å; I87-N118 HydrophobicContact CG2-CB 4.3Å; L114-N118 WeakPolarHBondContact O-CB 3.22Å; L114-N118 PolarHBondContact O-N 2.96Å; L114-N118 PolarHBondContact O-ND2 3.01Å; M115-N118 PolarHBondContact O-N 3.42Å; K116-N118 VanDerWaalsContact C-N 3.3Å; K116-N118 PolarHBondContact O-N 3.28Å; N118-N120 VanDerWaalsContact C-N 3.26Å; N118-N120 PolarHBondContact O-N 3.4Å; N118-N120 VanDerWaalsContact O-N 3.15Å; N118-I121 WeakPolarHBondContact O-CB 3.11Å; N118-I121 PolarHBondContact O-N 3.36Å; N118-I121 VanDerWaalsContact O-N 3.11Å |
| 119 | K | 78.4 | Confident | 88.6 | Confident | 61 Ų | 61 | 49 Ų | 49 | 27% | 0.265 | 25% | 0.249 | S | C | . | . | H | α-helix | trans | -57.2 | -33.8 | -174.8 | 76.9 | -176.1 | -178.2 | 158.5 | 0 | 114.8 | M115 K116 I121 T122 E230 | M115-K119 PolarHBondContact O-N 3.15Å; M115-K119 VanDerWaalsContact O-N 3.11Å; K116-K119 WeakPolarHBondContact O-CD 3.39Å; K116-K119 VanDerWaalsContact O-CG 3.24Å; K116-K119 WeakPolarHBondContact O-CG 3.28Å; K119-I121 PolarHBondContact O-N 3.48Å; K119-I121 VanDerWaalsContact O-N 3.16Å; K119-T122 PolarHBondContact O-N 3.4Å; K119-E230 IonicContact NZ-OE2 2.66Å; K119-E230 PolarHBondContact NZ-OE2 3.02Å |
| 120 | N | 83.1 | Confident | 88.9 | Confident | 101 Ų | 101 | 47.1 Ų | 47.1 | 54% | 0.54 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63 | -24.8 | -177.1 | -72.1 | -11.7 | 0 | 0 | 0 | 111.8 | N118 F123 K124 | N118-N120 VanDerWaalsContact C-N 3.26Å; N118-N120 PolarHBondContact O-N 3.4Å; N118-N120 VanDerWaalsContact O-N 3.15Å; N120-F123 PolarHBondContact O-N 2.98Å; N120-K124 WeakPolarHBondContact O-CG 3.17Å; N120-K124 PolarHBondContact O-N 2.78Å; N120-K124 VanDerWaalsContact O-N 3.09Å |
| 121 | I | 86.5 | Confident | 89.2 | Confident | 35 Ų | 35 | 49.5 Ų | 49.5 | 18% | 0.179 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -70.8 | -44.8 | 179 | -74 | 162.2 | 0 | 0 | 0 | 110.7 | V79 I87 N118 K119 F123 K124 F125 | V79-I121 HydrophobicContact CG2-CG1 4.23Å; V79-I121 HydrophobicContact CG2-CG2 4.23Å; I87-I121 HydrophobicContact CD1-CD1 2.93Å; I87-I121 HydrophobicContact CD1-CG1 4.44Å; I87-I121 HydrophobicContact CG1-CD1 4.42Å; N118-I121 WeakPolarHBondContact O-CB 3.11Å; N118-I121 PolarHBondContact O-N 3.36Å; N118-I121 VanDerWaalsContact O-N 3.11Å; K119-I121 PolarHBondContact O-N 3.48Å; K119-I121 VanDerWaalsContact O-N 3.16Å; I121-F123 PolarHBondContact O-N 2.99Å; I121-K124 WeakPolarHBondContact O-CA 2.97Å; I121-K124 WeakPolarHBondContact O-CB 3.37Å; I121-K124 PolarHBondContact O-N 3.15Å; I121-F125 HydrophobicContact CG2-CD2 3.73Å; I121-F125 HydrophobicContact CG2-CE2 3.56Å; I121-F125 WeakPolarHBondContact O-CD2 2.97Å; I121-F125 PolarHBondContact O-N 3.43Å |
| 122 | T | 88.4 | Confident | 89.7 | Confident | 50 Ų | 50 | 49.4 Ų | 49.4 | 31% | 0.307 | 25% | 0.248 | S | C | . | . | H | α-helix | trans | -52.4 | -42.8 | 174.8 | -55.1 | 0 | 0 | 0 | 0 | 111.3 | K119 F125 L126 | K119-T122 PolarHBondContact O-N 3.4Å; T122-F125 PolarHBondContact O-N 2.88Å; T122-L126 HydrophobicContact CG2-CD1 4.31Å; T122-L126 WeakPolarHBondContact O-CG 3.26Å; T122-L126 PolarHBondContact O-N 2.81Å |
| 123 | F | 92.4 | Very high | 90.1 | Very high | 29 Ų | 29 | 54.3 Ų | 54.3 | 13% | 0.127 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -68.7 | -33.3 | 176.4 | -61.6 | -43.6 | 0 | 0 | 0 | 113.9 | N120 I121 L126 D127 E230 I231 Y234 | N120-F123 PolarHBondContact O-N 2.98Å; I121-F123 PolarHBondContact O-N 2.99Å; F123-L126 HydrophobicContact CD1-CD1 3.84Å; F123-L126 HydrophobicContact CE1-CD1 4.39Å; F123-L126 PolarHBondContact O-N 3.48Å; F123-D127 WeakPolarHBondContact O-CB 3.36Å; F123-D127 PolarHBondContact O-N 2.61Å; F123-E230 HydrophobicContact CE2-CB 4.38Å; F123-E230 HydrophobicContact CZ-CB 3.99Å; F123-I231 HydrophobicContact CE1-CG1 4.18Å; F123-I231 HydrophobicContact CZ-CG1 4.4Å; F123-Y234 HydrophobicContact CB-CD2 4.21Å; F123-Y234 HydrophobicContact CB-CE2 4.05Å; F123-Y234 HydrophobicContact CD1-CD1 4.27Å; F123-Y234 AromaticContact CD1-CD2 3.41Å; F123-Y234 HydrophobicContact CD1-CD2 3.41Å; F123-Y234 VanDerWaalsContact CD1-CD2 3.41Å; F123-Y234 AromaticContact CD1-CE2 3.91Å; F123-Y234 HydrophobicContact CD1-CE2 3.91Å; F123-Y234 AromaticContact CD1-CG 3.62Å; F123-Y234 HydrophobicContact CD1-CG 3.62Å; F123-Y234 HydrophobicContact CE1-CD1 4.47Å; F123-Y234 AromaticContact CE1-CD2 3.93Å; F123-Y234 HydrophobicContact CE1-CD2 3.93Å; F123-Y234 AromaticContact CE1-CG 3.74Å; F123-Y234 HydrophobicContact CE1-CG 3.74Å; F123-Y234 AromaticContact CG-CD2 3.87Å; F123-Y234 HydrophobicContact CG-CD2 3.87Å; F123-Y234 HydrophobicContact CG-CE2 4.22Å |
| 124 | K | 94.3 | Very high | 90.5 | Very high | 74 Ų | 74 | 55.4 Ų | 55.4 | 32% | 0.322 | 28% | 0.284 | S | S | . | . | H | α-helix | trans | -65.2 | -39.5 | 173.6 | -73.9 | 175.6 | 160.1 | -144.2 | 0 | 112.5 | V77 D78 V79 N120 I121 D127 G128 | V77-K124 HydrophobicContact CG1-CB 4.48Å; D78-K124 WeakPolarHBondContact O-CD 3.49Å; D78-K124 PolarHBondContact O-NZ 2.52Å; D78-K124 IonicContact OD2-NZ 2.89Å; D78-K124 PolarHBondContact OD2-NZ 3.33Å; V79-K124 HydrophobicContact CG2-CB 3.93Å; V79-K124 HydrophobicContact CG2-CD 3.67Å; V79-K124 HydrophobicContact CG2-CG 4.47Å; N120-K124 WeakPolarHBondContact O-CG 3.17Å; N120-K124 PolarHBondContact O-N 2.78Å; N120-K124 VanDerWaalsContact O-N 3.09Å; I121-K124 WeakPolarHBondContact O-CA 2.97Å; I121-K124 WeakPolarHBondContact O-CB 3.37Å; I121-K124 PolarHBondContact O-N 3.15Å; K124-D127 PolarHBondContact O-N 2.69Å; K124-G128 PolarHBondContact O-N 2.95Å; K124-G128 VanDerWaalsContact O-N 3.15Å |
| 125 | F | 94.3 | Very high | 91 | Very high | 8 Ų | 8 | 55 Ų | 55 | 4% | 0.035 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -66.1 | -41.6 | 173.3 | -82.3 | -101 | 0 | 0 | 0 | 111.5 | Y28 P56 F75 V77 V79 L84 I121 T122 G128 | Y28-F125 HydrophobicContact CD2-CD1 4.38Å; Y28-F125 HydrophobicContact CE1-CB 4.31Å; Y28-F125 HydrophobicContact CE1-CD1 4.12Å; Y28-F125 AromaticContact CE2-CD1 3.55Å; Y28-F125 HydrophobicContact CE2-CD1 3.55Å; Y28-F125 AromaticContact CE2-CE1 3.85Å; Y28-F125 HydrophobicContact CE2-CE1 3.85Å; Y28-F125 HydrophobicContact CE2-CG 4.41Å; Y28-F125 AromaticContact CZ-CD1 3.4Å; Y28-F125 VanDerWaalsContact CZ-CD1 3.4Å; Y28-F125 AromaticContact CZ-CG 3.93Å; Y28-F125 WeakPolarHBondContact OH-CB 3.4Å; Y28-F125 VanDerWaalsContact OH-CD1 3.31Å; Y28-F125 WeakPolarHBondContact OH-CD1 3.34Å; Y28-F125 WeakPolarHBondContact OH-CG 3.48Å; P56-F125 HydrophobicContact CB-CD1 3.84Å; P56-F125 HydrophobicContact CB-CE1 3.45Å; P56-F125 VanDerWaalsContact CB-CE1 3.45Å; P56-F125 HydrophobicContact CG-CD1 4.29Å; P56-F125 HydrophobicContact CG-CE1 3.69Å; F75-F125 HydrophobicContact CE2-CD1 4.38Å; F75-F125 HydrophobicContact CZ-CD1 4.34Å; V77-F125 HydrophobicContact CG1-CD1 4.21Å; V77-F125 HydrophobicContact CG1-CD2 3.75Å; V77-F125 HydrophobicContact CG1-CE1 4.29Å; V77-F125 HydrophobicContact CG1-CE2 3.84Å; V77-F125 HydrophobicContact CG1-CG 3.95Å; V77-F125 HydrophobicContact CG1-CZ 4.12Å; V77-F125 HydrophobicContact CG2-CD1 3.93Å; V77-F125 HydrophobicContact CG2-CE1 4.2Å; V77-F125 HydrophobicContact CG2-CG 4.29Å; V79-F125 HydrophobicContact CB-CE2 4.42Å; V79-F125 HydrophobicContact CG2-CE2 4.19Å; L84-F125 HydrophobicContact CD1-CZ 4.43Å; L84-F125 HydrophobicContact CD2-CZ 4.29Å; I121-F125 HydrophobicContact CG2-CD2 3.73Å; I121-F125 HydrophobicContact CG2-CE2 3.56Å; I121-F125 WeakPolarHBondContact O-CD2 2.97Å; I121-F125 PolarHBondContact O-N 3.43Å; T122-F125 PolarHBondContact O-N 2.88Å; F125-G128 PolarHBondContact O-N 2.85Å |
| 126 | L | 95.1 | Very high | 91.6 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60 | -48.7 | 173.5 | -73.7 | 166.9 | 0 | 0 | 0 | 111.5 | W27 T122 F123 G128 V129 V130 S154 Y234 | W27-L126 HydrophobicContact CZ2-CD2 4.2Å; T122-L126 HydrophobicContact CG2-CD1 4.31Å; T122-L126 WeakPolarHBondContact O-CG 3.26Å; T122-L126 PolarHBondContact O-N 2.81Å; F123-L126 HydrophobicContact CD1-CD1 3.84Å; F123-L126 HydrophobicContact CE1-CD1 4.39Å; F123-L126 PolarHBondContact O-N 3.48Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.24Å; L126-V129 CarbonylContact O-C 3.47Å; L126-V129 PolarHBondContact O-N 3.16Å; L126-V130 HydrophobicContact CB-CG2 4.4Å; L126-V130 VanDerWaalsContact O-CG2 3.27Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 2.89Å; L126-S154 WeakPolarHBondContact CD2-O 3.43Å; L126-Y234 HydrophobicContact CB-CE1 3.87Å; L126-Y234 WeakPolarHBondContact CB-OH 3.43Å; L126-Y234 HydrophobicContact CD1-CD1 4.13Å; L126-Y234 HydrophobicContact CD1-CE1 3.89Å; L126-Y234 HydrophobicContact CG-CE1 4.39Å |
| 127 | D | 96.4 | Very high | 92.4 | Very high | 53 Ų | 53 | 54 Ų | 54 | 28% | 0.283 | 28% | 0.276 | S | S | . | . | I | π-helix | trans | -56.1 | -41.2 | -179.9 | -77.3 | -7.3 | 0 | 0 | 0 | 111.6 | F123 K124 V129 K131 S132 Y234 | F123-D127 WeakPolarHBondContact O-CB 3.36Å; F123-D127 PolarHBondContact O-N 2.61Å; K124-D127 PolarHBondContact O-N 2.69Å; D127-V129 PolarHBondContact O-N 3.33Å; D127-V129 VanDerWaalsContact O-N 3.1Å; D127-K131 HydrophobicContact CB-CB 4.44Å; D127-K131 HydrophobicContact CB-CD 4.35Å; D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 PolarHBondContact O-N 3.19Å; D127-K131 VanDerWaalsContact O-N 3.16Å; D127-K131 WeakPolarHBondContact OD1-CD 3.16Å; D127-K131 WeakPolarHBondContact OD1-CE 3.34Å; D127-K131 IonicContact OD1-NZ 3.42Å; D127-K131 PolarHBondContact OD1-NZ 3.09Å; D127-K131 IonicContact OD2-NZ 3.78Å; D127-K131 PolarHBondContact OD2-NZ 3.47Å; D127-S132 PolarHBondContact O-N 3.09Å; D127-Y234 PolarHBondContact N-OH 3.21Å; D127-Y234 VanDerWaalsContact OD1-CE2 3.26Å; D127-Y234 WeakPolarHBondContact OD1-CE2 3.44Å; D127-Y234 VanDerWaalsContact OD1-CZ 3.28Å; D127-Y234 PolarHBondContact OD1-OH 3.23Å |
| 128 | G | 96.6 | Very high | 93.3 | Very high | 9 Ų | 9 | 53 Ų | 53 | 9% | 0.093 | 27% | 0.266 | C | S | . | . | I | π-helix | trans | -57.3 | -23 | 176.3 | 0 | 0 | 0 | 0 | 0 | 114.5 | D76 K124 F125 L126 S132 | D76-G128 WeakPolarHBondContact O-CA 3.42Å; K124-G128 PolarHBondContact O-N 2.95Å; K124-G128 VanDerWaalsContact O-N 3.15Å; F125-G128 PolarHBondContact O-N 2.85Å; L126-G128 VanDerWaalsContact C-N 3.26Å; L126-G128 PolarHBondContact O-N 3.24Å; G128-S132 WeakPolarHBondContact O-CB 3.45Å |
| 129 | V | 97.4 | Very high | 94.1 | Very high | 0 Ų | 0 | 51.5 Ų | 51.5 | 0% | 0 | 26% | 0.258 | C | S | . | . | I | π-helix | trans | -105.7 | -67.6 | 173.7 | -173 | 0 | 0 | 0 | 0 | 111 | W27 L54 F75 L126 D127 K131 S132 I135 M136 L139 | W27-V129 HydrophobicContact CH2-CB 3.87Å; W27-V129 HydrophobicContact CH2-CG1 4.02Å; W27-V129 HydrophobicContact CH2-CG2 3.84Å; W27-V129 HydrophobicContact CZ3-CB 4.21Å; W27-V129 HydrophobicContact CZ3-CG1 3.85Å; W27-V129 HydrophobicContact CZ3-CG2 4.17Å; L54-V129 HydrophobicContact CD1-CG1 4.36Å; F75-V129 HydrophobicContact CB-CG2 4.4Å; F75-V129 HydrophobicContact CD1-CG2 3.91Å; F75-V129 HydrophobicContact CD2-CG2 3.64Å; F75-V129 HydrophobicContact CE1-CG2 4.01Å; F75-V129 HydrophobicContact CE2-CG2 3.72Å; F75-V129 HydrophobicContact CG-CG2 3.73Å; F75-V129 HydrophobicContact CZ-CG2 3.91Å; L126-V129 CarbonylContact O-C 3.47Å; L126-V129 PolarHBondContact O-N 3.16Å; D127-V129 PolarHBondContact O-N 3.33Å; D127-V129 VanDerWaalsContact O-N 3.1Å; V129-K131 PolarHBondContact O-N 3.16Å; V129-S132 PolarHBondContact O-N 3.12Å; V129-I135 HydrophobicContact CG1-CG2 4.01Å; V129-M136 HydrophobicContact CG1-SD 4.2Å; V129-M136 WeakPolarHBondContact O-CG 3.49Å; V129-L139 HydrophobicContact CG1-CD1 3.88Å |
| 130 | V | 96.9 | Very high | 95 | Very high | 15 Ų | 15 | 54.5 Ų | 54.5 | 9% | 0.091 | 27% | 0.271 | C | S | . | . | I | π-helix | trans | -73.4 | -25.1 | -166 | -61.2 | 0 | 0 | 0 | 0 | 114.3 | L126 L158 I162 Y234 I238 | L126-V130 HydrophobicContact CB-CG2 4.4Å; L126-V130 VanDerWaalsContact O-CG2 3.27Å; L126-V130 WeakPolarHBondContact O-CG2 3.46Å; L126-V130 PolarHBondContact O-N 2.89Å; V130-L158 HydrophobicContact CG1-CD2 4.22Å; V130-I162 HydrophobicContact CG1-CD1 4.24Å; V130-Y234 HydrophobicContact CG2-CE1 4.02Å; V130-Y234 VanDerWaalsContact CG2-OH 3.27Å; V130-Y234 WeakPolarHBondContact CG2-OH 3.21Å; V130-I238 HydrophobicContact CG2-CD1 3.97Å; V130-I238 HydrophobicContact CG2-CG1 4.17Å |
| 131 | K | 96.8 | Very high | 95.7 | Very high | 91 Ų | 91 | 55.5 Ų | 55.5 | 40% | 0.396 | 27% | 0.273 | S | S | . | . | I | π-helix | trans | -97.6 | -9.1 | 173.9 | -63.6 | -169.3 | -171 | 154.7 | 0 | 113 | D127 V129 E133 E237 I238 | D127-K131 HydrophobicContact CB-CB 4.44Å; D127-K131 HydrophobicContact CB-CD 4.35Å; D127-K131 WeakPolarHBondContact O-CB 3.44Å; D127-K131 PolarHBondContact O-N 3.19Å; D127-K131 VanDerWaalsContact O-N 3.16Å; D127-K131 WeakPolarHBondContact OD1-CD 3.16Å; D127-K131 WeakPolarHBondContact OD1-CE 3.34Å; D127-K131 IonicContact OD1-NZ 3.42Å; D127-K131 PolarHBondContact OD1-NZ 3.09Å; D127-K131 IonicContact OD2-NZ 3.78Å; D127-K131 PolarHBondContact OD2-NZ 3.47Å; V129-K131 PolarHBondContact O-N 3.16Å; K131-E133 PolarHBondContact O-N 3.39Å; K131-E237 IonicContact NZ-OE1 3.42Å; K131-I238 HydrophobicContact CD-CD1 4.18Å; K131-I238 VanDerWaalsContact CE-CD1 3.48Å; K131-I238 HydrophobicContact CG-CD1 3.65Å |
| 132 | S | 97.4 | Very high | 96.2 | Very high | 30 Ų | 30 | 54.6 Ų | 54.6 | 21% | 0.21 | 27% | 0.272 | C | S | . | . | trans | -79.9 | 104.4 | 177.6 | 179.7 | 0 | 0 | 0 | 0 | 110.7 | D127 G128 V129 I135 M136 | D127-S132 PolarHBondContact O-N 3.09Å; G128-S132 WeakPolarHBondContact O-CB 3.45Å; V129-S132 PolarHBondContact O-N 3.12Å; S132-I135 PolarHBondContact O-N 2.91Å; S132-I135 VanDerWaalsContact OG-CG1 3.31Å; S132-I135 WeakPolarHBondContact OG-CG1 3.42Å; S132-M136 WeakPolarHBondContact O-CB 3.27Å; S132-M136 PolarHBondContact O-N 3.19Å | ||
| 133 | E | 96.3 | Very high | 96.5 | Very high | 168 Ų | 168 | 57.8 Ų | 57.8 | 79% | 0.785 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -54.9 | -45.6 | 177.5 | -67.6 | -175 | 173.5 | 0 | 0 | 113.4 | K131 I135 K137 | K131-E133 PolarHBondContact O-N 3.39Å; E133-I135 PolarHBondContact O-N 3.09Å; E133-K137 WeakPolarHBondContact O-CB 3.11Å; E133-K137 PolarHBondContact O-N 3.36Å |
| 134 | P | 97.6 | Very high | 96.8 | Very high | 97 Ų | 97 | 57.8 Ų | 57.8 | 63% | 0.63 | 29% | 0.286 | S | S | * | . | H | α-helix | trans | -61.3 | -45.2 | 178.8 | -22.2 | 33.5 | 0 | 0 | 0 | 112.6 | K138 | P134-K138 WeakPolarHBondContact O-CB 3.45Å; P134-K138 PolarHBondContact O-N 2.72Å; P134-K138 VanDerWaalsContact O-N 3.07Å |
| 135 | I | 97.9 | Very high | 96.9 | Very high | 19 Ų | 19 | 57.7 Ų | 57.7 | 10% | 0.097 | 29% | 0.29 | C | S | . | . | H | α-helix | trans | -67.5 | -51.8 | -179.1 | -63.1 | -63.4 | 0 | 0 | 0 | 109.8 | P74 F75 V129 S132 E133 K137 K138 L139 | P74-I135 WeakPolarHBondContact O-CD1 3.3Å; F75-I135 HydrophobicContact CB-CD1 4.07Å; F75-I135 HydrophobicContact CB-CG1 4.07Å; V129-I135 HydrophobicContact CG1-CG2 4.01Å; S132-I135 PolarHBondContact O-N 2.91Å; S132-I135 VanDerWaalsContact OG-CG1 3.31Å; S132-I135 WeakPolarHBondContact OG-CG1 3.42Å; E133-I135 PolarHBondContact O-N 3.09Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 2.98Å; I135-K138 WeakPolarHBondContact O-CB 3.4Å; I135-K138 PolarHBondContact O-N 2.92Å; I135-K138 VanDerWaalsContact O-N 3.09Å; I135-L139 HydrophobicContact CG2-CD1 4.04Å; I135-L139 HydrophobicContact CG2-CG 4.21Å; I135-L139 WeakPolarHBondContact O-CG 3.38Å; I135-L139 PolarHBondContact O-N 3.35Å |
| 136 | M | 97.6 | Very high | 97.1 | Very high | 12 Ų | 12 | 57.3 Ų | 57.3 | 6% | 0.059 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -61.6 | -36 | 179.7 | -75.1 | -51.4 | -56.2 | 0 | 0 | 113.2 | V129 S132 L139 K140 I162 L163 | V129-M136 HydrophobicContact CG1-SD 4.2Å; V129-M136 WeakPolarHBondContact O-CG 3.49Å; S132-M136 WeakPolarHBondContact O-CB 3.27Å; S132-M136 PolarHBondContact O-N 3.19Å; M136-L139 PolarHBondContact O-N 3.23Å; M136-L139 HydrophobicContact SD-CD1 4.16Å; M136-K140 WeakPolarHBondContact O-CB 3.25Å; M136-K140 VanDerWaalsContact O-CG 3.26Å; M136-K140 WeakPolarHBondContact O-CG 3.42Å; M136-K140 PolarHBondContact O-N 2.99Å; M136-I162 HydrophobicContact CE-CB 4.36Å; M136-I162 HydrophobicContact CE-CG2 3.55Å; M136-L163 HydrophobicContact CE-CD2 4.25Å |
| 137 | K | 97.8 | Very high | 97.3 | Very high | 131 Ų | 131 | 57.3 Ų | 57.3 | 57% | 0.57 | 29% | 0.288 | S | S | * | . | H | α-helix | trans | -61.1 | -49.8 | 173.3 | -179.2 | 179.6 | 175.3 | -176.8 | 0 | 110.7 | E133 I135 L139 K140 E141 | E133-K137 WeakPolarHBondContact O-CB 3.11Å; E133-K137 PolarHBondContact O-N 3.36Å; I135-K137 VanDerWaalsContact C-N 3.29Å; I135-K137 PolarHBondContact O-N 2.98Å; K137-L139 VanDerWaalsContact C-N 3.32Å; K137-L139 PolarHBondContact O-N 3.3Å; K137-K140 PolarHBondContact O-N 3.01Å; K137-E141 WeakPolarHBondContact CE-OE1 3.41Å; K137-E141 WeakPolarHBondContact O-CG 3.38Å; K137-E141 PolarHBondContact O-N 2.79Å |
| 138 | K | 97.8 | Very high | 97.4 | Very high | 96 Ų | 96 | 54.8 Ų | 54.8 | 42% | 0.417 | 27% | 0.274 | S | S | . | . | H | α-helix | trans | -60.4 | -41.2 | 178.2 | -169.8 | 175.3 | -175.2 | 178.4 | 0 | 112.2 | E73 P134 I135 E141 G142 | E73-K138 VanDerWaalsContact CD-CE 3.46Å; E73-K138 VanDerWaalsContact OE1-CD 3.26Å; E73-K138 WeakPolarHBondContact OE1-CD 3.34Å; E73-K138 WeakPolarHBondContact OE1-CE 3.38Å; E73-K138 IonicContact OE1-NZ 2.66Å; E73-K138 PolarHBondContact OE1-NZ 3.33Å; E73-K138 WeakPolarHBondContact OE2-CE 3.32Å; E73-K138 IonicContact OE2-NZ 2.71Å; E73-K138 PolarHBondContact OE2-NZ 2.95Å; P134-K138 WeakPolarHBondContact O-CB 3.45Å; P134-K138 PolarHBondContact O-N 2.72Å; P134-K138 VanDerWaalsContact O-N 3.07Å; I135-K138 WeakPolarHBondContact O-CB 3.4Å; I135-K138 PolarHBondContact O-N 2.92Å; I135-K138 VanDerWaalsContact O-N 3.09Å; K138-E141 PolarHBondContact O-N 3.04Å; K138-G142 PolarHBondContact O-N 3.15Å |
| 139 | L | 98.1 | Very high | 97.5 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.01 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.2 | -42 | 177.3 | -66.2 | -175.2 | 0 | 0 | 0 | 112.3 | L25 L54 V129 I135 M136 K137 G142 Y144 T159 L163 | L25-L139 HydrophobicContact CD1-CD2 3.87Å; L25-L139 HydrophobicContact CD2-CD1 4.41Å; L25-L139 HydrophobicContact CD2-CD2 4.03Å; L54-L139 HydrophobicContact CD1-CD1 4.43Å; L54-L139 HydrophobicContact CD2-CD2 4.14Å; V129-L139 HydrophobicContact CG1-CD1 3.88Å; I135-L139 HydrophobicContact CG2-CD1 4.04Å; I135-L139 HydrophobicContact CG2-CG 4.21Å; I135-L139 WeakPolarHBondContact O-CG 3.38Å; I135-L139 PolarHBondContact O-N 3.35Å; M136-L139 PolarHBondContact O-N 3.23Å; M136-L139 HydrophobicContact SD-CD1 4.16Å; K137-L139 VanDerWaalsContact C-N 3.32Å; K137-L139 PolarHBondContact O-N 3.3Å; L139-G142 PolarHBondContact O-N 2.98Å; L139-Y144 HydrophobicContact CD2-CE2 3.96Å; L139-T159 HydrophobicContact CD1-CG2 4.26Å; L139-L163 HydrophobicContact CB-CD1 4.3Å; L139-L163 HydrophobicContact CB-CD2 4.06Å |
| 140 | K | 97.6 | Very high | 97.5 | Very high | 125 Ų | 125 | 54.4 Ų | 54.4 | 54% | 0.543 | 27% | 0.27 | S | S | . | . | H | α-helix | trans | -64.5 | -38.2 | 175.7 | -73.4 | 171.8 | -178.5 | 177.3 | 0 | 112.3 | M136 K137 G142 L163 | M136-K140 WeakPolarHBondContact O-CB 3.25Å; M136-K140 VanDerWaalsContact O-CG 3.26Å; M136-K140 WeakPolarHBondContact O-CG 3.42Å; M136-K140 PolarHBondContact O-N 2.99Å; K137-K140 PolarHBondContact O-N 3.01Å; K140-G142 VanDerWaalsContact C-N 3.31Å; K140-L163 HydrophobicContact CB-CD2 4.39Å; K140-L163 HydrophobicContact CG-CD2 3.67Å |
| 141 | E | 97.3 | Very high | 97.4 | Very high | 122 Ų | 122 | 54.2 Ų | 54.2 | 57% | 0.57 | 27% | 0.269 | S | S | * | . | H | α-helix | trans | -77.2 | -16.7 | 177.9 | -68.9 | 171.9 | 176.7 | 0 | 0 | 113 | K137 K138 N143 | K137-E141 WeakPolarHBondContact CE-OE1 3.41Å; K137-E141 WeakPolarHBondContact O-CG 3.38Å; K137-E141 PolarHBondContact O-N 2.79Å; K138-E141 PolarHBondContact O-N 3.04Å; E141-N143 VanDerWaalsContact C-N 3.26Å; E141-N143 PolarHBondContact O-N 3.4Å; E141-N143 PolarHBondContact O-ND2 2.9Å |
| 142 | G | 95.8 | Very high | 97.2 | Very high | 16 Ų | 16 | 53.4 Ų | 53.4 | 17% | 0.165 | 27% | 0.269 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -64.2 | -24.7 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.8 | K23 K138 L139 K140 | K23-G142 WeakPolarHBondContact CD-O 3.35Å; K23-G142 PolarHBondContact NZ-O 3.17Å; K23-G142 VanDerWaalsContact NZ-O 3.09Å; K138-G142 PolarHBondContact O-N 3.15Å; L139-G142 PolarHBondContact O-N 2.98Å; K140-G142 VanDerWaalsContact C-N 3.31Å |
| 143 | N | 95.2 | Very high | 97 | Very high | 117 Ų | 117 | 53.8 Ų | 53.8 | 63% | 0.626 | 27% | 0.266 | S | S | * | . | trans | 52.4 | 53 | -176.7 | -62.6 | -71.7 | 0 | 0 | 0 | 112.5 | K23 E141 | K23-N143 WeakPolarHBondContact CD-O 3.47Å; E141-N143 VanDerWaalsContact C-N 3.26Å; E141-N143 PolarHBondContact O-N 3.4Å; E141-N143 PolarHBondContact O-ND2 2.9Å | ||
| 144 | Y | 98.1 | Very high | 96.7 | Very high | 28 Ų | 28 | 46.5 Ų | 46.5 | 11% | 0.11 | 23% | 0.233 | C | C | . | . | trans | -71.1 | 145.7 | 178.2 | -60.9 | -76.5 | 0 | 0 | 0 | 112 | K23 L25 T52 L139 I165 | K23-Y144 HydrophobicContact CB-CD1 4Å; L25-Y144 HydrophobicContact CB-CD1 3.72Å; L25-Y144 HydrophobicContact CB-CD2 4.03Å; L25-Y144 HydrophobicContact CB-CE1 4.05Å; L25-Y144 HydrophobicContact CB-CE2 4.33Å; L25-Y144 HydrophobicContact CB-CG 3.72Å; L25-Y144 HydrophobicContact CD1-CE1 4.31Å; L25-Y144 HydrophobicContact CD1-CE2 4.16Å; L25-Y144 HydrophobicContact CD2-CD2 4.09Å; L25-Y144 HydrophobicContact CD2-CE2 4.18Å; L25-Y144 HydrophobicContact CG-CD2 4.5Å; L25-Y144 HydrophobicContact CG-CE2 4.47Å; T52-Y144 WeakPolarHBondContact CG2-OH 3.29Å; L139-Y144 HydrophobicContact CD2-CE2 3.96Å; Y144-I165 WeakPolarHBondContact O-CG2 3.5Å | ||
| 145 | D | 98.1 | Very high | 96.6 | Very high | 73 Ų | 73 | 41.9 Ų | 41.9 | 39% | 0.39 | 20% | 0.203 | S | C | . | . | S | Bend | trans | -89.6 | -24.1 | 179.1 | -65.1 | -65.6 | 0 | 0 | 0 | 112.8 | G22 K23 P166 M467 | G22-D145 WeakPolarHBondContact CA-OD2 2.92Å; K23-D145 PolarHBondContact N-OD2 3.24Å; K23-D145 PolarHBondContact O-N 2.96Å; D145-P166 VanDerWaalsContact O-CD 3.31Å; D145-P166 WeakPolarHBondContact O-CD 3.29Å; D145-M467 HydrophobicContact CB-CB 4.45Å; D145-M467 HydrophobicContact CB-CG 4.04Å; D145-M467 HydrophobicContact CB-SD 4.08Å |
| 146 | L | 98.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 41.1 Ų | 41.1 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -160.3 | 164.5 | 170.4 | 66.9 | 81.9 | 0 | 0 | 0 | 112.2 | I24 L25 F148 P166 V168 I463 M467 | I24-L146 HydrophobicContact CB-CD1 4.48Å; I24-L146 HydrophobicContact CG1-CD1 4.35Å; I24-L146 HydrophobicContact CG1-CG 4.39Å; I24-L146 HydrophobicContact CG2-CD1 3.78Å; L25-L146 PolarHBondContact N-O 3.26Å; L146-F148 HydrophobicContact CD1-CB 4.08Å; L146-P166 CarbonylContact C-O 3.58Å; L146-P166 WeakPolarHBondContact CA-O 3.31Å; L146-P166 HydrophobicContact CB-CB 4.12Å; L146-V168 HydrophobicContact CD2-CG2 4.3Å; L146-I463 HydrophobicContact CD1-CG2 4.42Å; L146-I463 HydrophobicContact CD2-CG2 3.73Å; L146-I463 WeakPolarHBondContact CD2-O 3.33Å; L146-M467 HydrophobicContact CB-CG 4.42Å; L146-M467 HydrophobicContact CD2-CB 4.48Å; L146-M467 HydrophobicContact CD2-CG 3.2Å; L146-M467 HydrophobicContact CD2-SD 3.96Å; L146-M467 HydrophobicContact CG-CG 3.86Å; L146-M467 HydrophobicContact CG-SD 4.3Å |
| 147 | L | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 41 Ų | 41 | 0% | 0 | 20% | 0.199 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -107.3 | 131 | 166.9 | -164.5 | 150.5 | 0 | 0 | 0 | 110.4 | L25 W27 A149 G156 T159 A160 I165 P166 L167 V168 | L25-L147 HydrophobicContact CD2-CD1 3.98Å; L25-L147 HydrophobicContact CD2-CG 4.5Å; L25-L147 HydrophobicContact CG-CD1 4.42Å; L25-L147 HydrophobicContact CG-CG 4.47Å; L25-L147 CarbonylContact O-C 3.58Å; L25-L147 VanDerWaalsContact O-CA 3.32Å; L25-L147 WeakPolarHBondContact O-CA 3.37Å; W27-L147 HydrophobicContact CB-CD2 4.35Å; L147-A149 HydrophobicContact CD2-CB 3.65Å; L147-G156 WeakPolarHBondContact CD1-O 3.45Å; L147-G156 WeakPolarHBondContact CD2-O 3.35Å; L147-T159 HydrophobicContact CD1-CG2 3.88Å; L147-A160 HydrophobicContact CB-CB 4.03Å; L147-A160 HydrophobicContact CD1-CB 4.13Å; L147-I165 HydrophobicContact CB-CD1 3.96Å; L147-I165 HydrophobicContact CB-CG1 4.29Å; L147-P166 PolarHBondContact N-O 3.42Å; L147-L167 HydrophobicContact CB-CD1 4.27Å; L147-L167 HydrophobicContact CD2-CD1 3.62Å; L147-V168 PolarHBondContact O-N 2.7Å |
| 148 | F | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112 | 124.9 | 173.7 | -178.1 | -126 | 0 | 0 | 0 | 110.2 | I24 L25 V26 W27 M37 L40 L41 L146 V168 L256 I463 | I24-F148 HydrophobicContact CG2-CB 4.24Å; L25-F148 PolarHBondContact O-N 3.13Å; V26-F148 VanDerWaalsContact CA-O 3.31Å; V26-F148 WeakPolarHBondContact CA-O 3.22Å; V26-F148 HydrophobicContact CG1-CD1 4.22Å; V26-F148 HydrophobicContact CG2-CB 4.48Å; V26-F148 HydrophobicContact CG2-CD1 4.49Å; W27-F148 PolarHBondContact N-O 3.1Å; M37-F148 HydrophobicContact CE-CD1 3.5Å; M37-F148 HydrophobicContact CE-CE1 3.27Å; M37-F148 HydrophobicContact CE-CG 4.4Å; M37-F148 HydrophobicContact CE-CZ 4Å; M37-F148 HydrophobicContact CG-CE1 4.27Å; L40-F148 HydrophobicContact CD2-CE1 3.94Å; L40-F148 HydrophobicContact CD2-CZ 3.65Å; L41-F148 HydrophobicContact CD2-CD1 3.92Å; L41-F148 HydrophobicContact CD2-CE1 4.14Å; L146-F148 HydrophobicContact CD1-CB 4.08Å; F148-V168 WeakPolarHBondContact CA-O 3.41Å; F148-V168 HydrophobicContact CD2-CB 4.04Å; F148-V168 HydrophobicContact CD2-CG1 3.88Å; F148-V168 WeakPolarHBondContact CD2-O 3.36Å; F148-V168 HydrophobicContact CE2-CG1 4.1Å; F148-L256 HydrophobicContact CE2-CD1 4Å; F148-L256 HydrophobicContact CZ-CD1 4.5Å; F148-I463 HydrophobicContact CD2-CD1 4.28Å; F148-I463 HydrophobicContact CE2-CD1 4.2Å; F148-I463 HydrophobicContact CZ-CD1 4.45Å |
| 149 | A | 98.1 | Very high | 96.6 | Very high | 1 Ų | 1 | 30.2 Ų | 30.2 | 1% | 0.008 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.9 | 156.1 | -174.4 | 0 | 0 | 0 | 0 | 0 | 113.2 | W27 L147 V168 L169 S170 | W27-A149 HydrophobicContact CB-CB 3.58Å; W27-A149 HydrophobicContact CG-CB 4.33Å; L147-A149 HydrophobicContact CD2-CB 3.65Å; A149-V168 PolarHBondContact N-O 3.01Å; A149-L169 HydrophobicContact CB-CD2 4.11Å; A149-L169 CarbonylContact O-C 3.15Å; A149-L169 VanDerWaalsContact O-CA 3.3Å; A149-L169 WeakPolarHBondContact O-CA 3.35Å; A149-S170 PolarHBondContact O-N 2.93Å |
| 150 | D | 97.1 | Very high | 96.6 | Very high | 0 Ų | 0 | 30.3 Ų | 30.3 | 0% | 0 | 15% | 0.154 | C | C | . | . | trans | -95.6 | 118.3 | 160.4 | -169.3 | -45 | 0 | 0 | 0 | 109.3 | H33 M37 I152 Y153 S170 R258 | H33-D150 IonicContact CE1-OD2 3.35Å; H33-D150 IonicContact CG-OD2 3.58Å; H33-D150 IonicContact ND1-OD1 3.15Å; H33-D150 IonicContact ND1-OD2 3.71Å; H33-D150 PolarHBondContact ND1-OD2 3.02Å; M37-D150 HydrophobicContact SD-CB 4.25Å; D150-I152 PolarHBondContact O-N 2.85Å; D150-I152 VanDerWaalsContact O-N 3.13Å; D150-I152 WeakPolarHBondContact OD1-CB 3.27Å; D150-I152 WeakPolarHBondContact OD1-CG1 3.39Å; D150-I152 PolarHBondContact OD1-N 3.37Å; D150-Y153 HydrophobicContact CB-CD2 4.42Å; D150-Y153 PolarHBondContact O-N 3.26Å; D150-Y153 VanDerWaalsContact O-N 3.1Å; D150-S170 VanDerWaalsContact CA-O 3.31Å; D150-S170 WeakPolarHBondContact CA-O 3.47Å; D150-R258 IonicContact OD2-CZ 2.6Å; D150-R258 IonicContact OD2-NH1 2.89Å; D150-R258 PolarHBondContact OD2-NH1 3.42Å; D150-R258 IonicContact OD2-NH2 3.95Å; D150-R258 PolarHBondContact OD2-NH2 3.38Å | ||
| 151 | P | 95.7 | Very high | 96.7 | Very high | 11 Ų | 11 | 26.5 Ų | 26.5 | 7% | 0.071 | 14% | 0.139 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.2 | -2.4 | -172.1 | 31.1 | -33.9 | 0 | 0 | 0 | 113.8 | Y153 L169 S170 L171 L179 M249 W255 | P151-Y153 PolarHBondContact O-N 3.43Å; P151-L169 HydrophobicContact CB-CD1 4.13Å; P151-L169 HydrophobicContact CB-CD2 4.04Å; P151-L169 HydrophobicContact CG-CB 4.34Å; P151-L169 HydrophobicContact CG-CD1 4.18Å; P151-L169 HydrophobicContact CG-CD2 4.3Å; P151-S170 WeakPolarHBondContact CD-O 3.21Å; P151-L171 HydrophobicContact CG-CB 4.13Å; P151-L171 HydrophobicContact CG-CD1 4.03Å; P151-L171 HydrophobicContact CG-CG 4.45Å; P151-L179 HydrophobicContact CB-CD1 4.28Å; P151-L179 HydrophobicContact CG-CD1 4.26Å; P151-M249 HydrophobicContact CB-CE 3.79Å; P151-M249 HydrophobicContact CB-CG 4.37Å; P151-M249 HydrophobicContact CB-SD 3.85Å; P151-W255 HydrophobicContact CG-CZ3 4.21Å |
| 152 | I | 92.3 | Very high | 96.7 | Very high | 74 Ų | 74 | 22.5 Ų | 22.5 | 38% | 0.379 | 12% | 0.121 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -63.1 | -29.6 | 166.5 | -70.4 | -67.1 | 0 | 0 | 0 | 111.2 | D150 L171 L179 | D150-I152 PolarHBondContact O-N 2.85Å; D150-I152 VanDerWaalsContact O-N 3.13Å; D150-I152 WeakPolarHBondContact OD1-CB 3.27Å; D150-I152 WeakPolarHBondContact OD1-CG1 3.39Å; D150-I152 PolarHBondContact OD1-N 3.37Å; I152-L171 HydrophobicContact CD1-CD1 4.43Å; I152-L171 HydrophobicContact CG1-CD1 4.06Å; I152-L179 HydrophobicContact CD1-CD1 4.36Å |
| 153 | Y | 92.2 | Very high | 96.8 | Very high | 38 Ų | 38 | 23.3 Ų | 23.3 | 15% | 0.149 | 12% | 0.122 | C | C | . | . | S | Bend | trans | -98.8 | 107.6 | 172.1 | -58.5 | -85 | 0 | 0 | 0 | 109.1 | W27 Y28 E30 H33 D150 P151 | W27-Y153 PolarHBondContact NE1-O 3.15Å; Y28-Y153 AromaticContact CE2-CD1 3.98Å; Y28-Y153 HydrophobicContact CE2-CD1 3.98Å; E30-Y153 HydrophobicContact CB-CE1 4.29Å; E30-Y153 WeakPolarHBondContact CB-OH 3.33Å; E30-Y153 HydrophobicContact CG-CE1 4.31Å; E30-Y153 PolarHBondContact N-OH 2.96Å; H33-Y153 HydrophobicContact CB-CE2 4.22Å; D150-Y153 HydrophobicContact CB-CD2 4.42Å; D150-Y153 PolarHBondContact O-N 3.26Å; D150-Y153 VanDerWaalsContact O-N 3.1Å; P151-Y153 PolarHBondContact O-N 3.43Å |
| 154 | S | 92 | Very high | 96.9 | Very high | 15 Ų | 15 | 21 Ų | 21 | 11% | 0.105 | 13% | 0.125 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -59.1 | 149.7 | -178.1 | -50.3 | 0 | 0 | 0 | 0 | 112.3 | W27 L126 I231 | W27-S154 WeakPolarHBondContact CZ2-O 3.4Å; W27-S154 PolarHBondContact NE1-O 3.45Å; W27-S154 VanDerWaalsContact NE1-O 3.17Å; L126-S154 WeakPolarHBondContact CD2-O 3.43Å; S154-I231 VanDerWaalsContact OG-CD1 3.31Å; S154-I231 WeakPolarHBondContact OG-CD1 3.41Å |
| 155 | G | 94.8 | Very high | 96.9 | Very high | 0 Ų | 0 | 21.1 Ų | 21.1 | 0% | 0 | 13% | 0.127 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 114.5 | -23.4 | 170 | 0 | 0 | 0 | 0 | 0 | 115.8 | D157 L158 T159 Y235 | G155-D157 VanDerWaalsContact C-N 3.29Å; G155-D157 PolarHBondContact N-OD1 2.69Å; G155-D157 PolarHBondContact O-N 3.17Å; G155-L158 PolarHBondContact O-N 3.15Å; G155-T159 VanDerWaalsContact O-CB 3.24Å; G155-T159 WeakPolarHBondContact O-CB 3.41Å; G155-T159 PolarHBondContact O-N 2.76Å; G155-T159 PolarHBondContact O-OG1 2.93Å; G155-Y235 PolarHBondContact N-OH 3.16Å; G155-Y235 VanDerWaalsContact N-OH 3.15Å |
| 156 | G | 97.3 | Very high | 96.9 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 2% | 0.021 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -60.2 | -40.8 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112.3 | L147 A160 | L147-G156 WeakPolarHBondContact CD1-O 3.45Å; L147-G156 WeakPolarHBondContact CD2-O 3.35Å; G156-A160 WeakPolarHBondContact O-CB 3.47Å; G156-A160 PolarHBondContact O-N 3.09Å |
| 157 | D | 97.7 | Very high | 96.9 | Very high | 10 Ų | 10 | 19 Ų | 19 | 5% | 0.053 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -65.9 | -46.9 | 175.7 | 60.3 | -32.1 | 0 | 0 | 0 | 113.1 | G155 T159 A160 D161 L167 Y235 L248 M249 | G155-D157 VanDerWaalsContact C-N 3.29Å; G155-D157 PolarHBondContact N-OD1 2.69Å; G155-D157 PolarHBondContact O-N 3.17Å; D157-T159 PolarHBondContact O-N 3.44Å; D157-A160 PolarHBondContact O-N 2.58Å; D157-D161 PolarHBondContact O-N 3.44Å; D157-L167 HydrophobicContact CB-CD2 3.93Å; D157-Y235 PolarHBondContact OD1-OH 3.27Å; D157-Y235 WeakPolarHBondContact OD2-CE2 3.35Å; D157-L248 HydrophobicContact CB-CB 4.36Å; D157-M249 HydrophobicContact CB-CB 4.47Å |
| 158 | L | 98.1 | Very high | 96.9 | Very high | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -62.6 | -43 | 175.5 | 179.1 | 60.8 | 0 | 0 | 0 | 111.8 | V130 G155 D161 I162 Y234 Y235 I238 R239 L248 | V130-L158 HydrophobicContact CG1-CD2 4.22Å; G155-L158 PolarHBondContact O-N 3.15Å; L158-D161 PolarHBondContact O-N 3.03Å; L158-I162 HydrophobicContact CD1-CD1 4.14Å; L158-I162 HydrophobicContact CD1-CG1 4.39Å; L158-I162 HydrophobicContact CG-CD1 3.92Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.34Å; L158-I162 PolarHBondContact O-N 3.4Å; L158-Y234 HydrophobicContact CD2-CE1 4.47Å; L158-Y235 HydrophobicContact CB-CD2 4.17Å; L158-Y235 HydrophobicContact CB-CE1 4.17Å; L158-Y235 HydrophobicContact CB-CE2 3.68Å; L158-Y235 HydrophobicContact CD1-CD2 4.19Å; L158-Y235 HydrophobicContact CD1-CG 4.32Å; L158-Y235 HydrophobicContact CD2-CD1 3.81Å; L158-Y235 HydrophobicContact CD2-CD2 4.46Å; L158-Y235 HydrophobicContact CD2-CE1 3.82Å; L158-Y235 HydrophobicContact CD2-CG 4.1Å; L158-Y235 HydrophobicContact CG-CE2 4.46Å; L158-I238 HydrophobicContact CD2-CB 4.33Å; L158-I238 HydrophobicContact CD2-CG1 4.38Å; L158-I238 HydrophobicContact CD2-CG2 4.18Å; L158-R239 HydrophobicContact CD1-CG 3.99Å; L158-L248 HydrophobicContact CB-CD1 4.49Å; L158-L248 HydrophobicContact CD1-CD1 3.98Å |
| 159 | T | 98.3 | Very high | 96.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -65.6 | -42.1 | 179.8 | -58.3 | 0 | 0 | 0 | 0 | 110.7 | W27 L139 L147 G155 D157 D161 I162 L163 | W27-T159 HydrophobicContact CZ3-CG2 4.19Å; W27-T159 WeakPolarHBondContact CZ3-OG1 3.46Å; L139-T159 HydrophobicContact CD1-CG2 4.26Å; L147-T159 HydrophobicContact CD1-CG2 3.88Å; G155-T159 VanDerWaalsContact O-CB 3.24Å; G155-T159 WeakPolarHBondContact O-CB 3.41Å; G155-T159 PolarHBondContact O-N 2.76Å; G155-T159 PolarHBondContact O-OG1 2.93Å; D157-T159 PolarHBondContact O-N 3.44Å; T159-D161 VanDerWaalsContact C-N 3.34Å; T159-D161 PolarHBondContact O-N 3.34Å; T159-I162 PolarHBondContact O-N 3.39Å; T159-L163 HydrophobicContact CG2-CD1 3.86Å; T159-L163 HydrophobicContact CG2-CG 4.37Å; T159-L163 WeakPolarHBondContact O-CB 3.33Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.36Å; T159-L163 PolarHBondContact O-N 3.35Å |
| 160 | A | 98.3 | Very high | 96.9 | Very high | 4 Ų | 4 | 19.1 Ų | 19.1 | 3% | 0.033 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -60.5 | -42.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.8 | L147 G156 D157 L163 G164 I165 L167 | L147-A160 HydrophobicContact CB-CB 4.03Å; L147-A160 HydrophobicContact CD1-CB 4.13Å; G156-A160 WeakPolarHBondContact O-CB 3.47Å; G156-A160 PolarHBondContact O-N 3.09Å; D157-A160 PolarHBondContact O-N 2.58Å; A160-L163 PolarHBondContact O-N 2.68Å; A160-G164 PolarHBondContact O-N 3.03Å; A160-I165 HydrophobicContact CB-CG1 4.37Å; A160-I165 PolarHBondContact O-N 3.42Å; A160-I165 VanDerWaalsContact O-N 3.14Å; A160-L167 HydrophobicContact CB-CB 4.11Å; A160-L167 HydrophobicContact CB-CD1 4.16Å |
| 161 | D | 97.8 | Very high | 96.9 | Very high | 46 Ų | 46 | 19.1 Ų | 19.1 | 25% | 0.246 | 12% | 0.118 | C | C | . | . | H | α-helix | trans | -64.4 | -41.5 | 176.3 | -173.4 | 91.1 | 0 | 0 | 0 | 112.3 | D157 L158 T159 G164 R239 L248 K251 | D157-D161 PolarHBondContact O-N 3.44Å; L158-D161 PolarHBondContact O-N 3.03Å; T159-D161 VanDerWaalsContact C-N 3.34Å; T159-D161 PolarHBondContact O-N 3.34Å; D161-G164 PolarHBondContact O-N 3.22Å; D161-R239 IonicContact OD2-CZ 3.48Å; D161-R239 IonicContact OD2-NE 2.7Å; D161-R239 PolarHBondContact OD2-NE 2.77Å; D161-R239 IonicContact OD2-NH1 2.74Å; D161-R239 IonicContact OD2-NH2 3.88Å; D161-R239 PolarHBondContact OD2-NH2 3.11Å; D161-L248 HydrophobicContact CB-CD1 4.23Å; D161-L248 HydrophobicContact CB-CD2 4.24Å; D161-K251 IonicContact OD1-NZ 3.72Å; D161-K251 PolarHBondContact OD1-NZ 3.39Å |
| 162 | I | 97.7 | Very high | 96.8 | Very high | 37 Ų | 37 | 19.4 Ų | 19.4 | 19% | 0.19 | 12% | 0.12 | C | C | . | . | H | α-helix | trans | -64.7 | -40.2 | 176 | -67.8 | 164.4 | 0 | 0 | 0 | 111.7 | V130 M136 L158 T159 G164 I238 | V130-I162 HydrophobicContact CG1-CD1 4.24Å; M136-I162 HydrophobicContact CE-CB 4.36Å; M136-I162 HydrophobicContact CE-CG2 3.55Å; L158-I162 HydrophobicContact CD1-CD1 4.14Å; L158-I162 HydrophobicContact CD1-CG1 4.39Å; L158-I162 HydrophobicContact CG-CD1 3.92Å; L158-I162 VanDerWaalsContact O-CG1 3.31Å; L158-I162 WeakPolarHBondContact O-CG1 3.34Å; L158-I162 PolarHBondContact O-N 3.4Å; T159-I162 PolarHBondContact O-N 3.39Å; I162-G164 VanDerWaalsContact C-N 3.34Å; I162-I238 HydrophobicContact CD1-CG2 3.98Å |
| 163 | L | 97.9 | Very high | 96.8 | Very high | 34 Ų | 34 | 18.1 Ų | 18.1 | 18% | 0.178 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -79.6 | -18 | 179.7 | -64.5 | 174.6 | 0 | 0 | 0 | 112.8 | L25 M136 L139 K140 T159 A160 I165 | L25-L163 HydrophobicContact CD2-CD1 3.75Å; M136-L163 HydrophobicContact CE-CD2 4.25Å; L139-L163 HydrophobicContact CB-CD1 4.3Å; L139-L163 HydrophobicContact CB-CD2 4.06Å; K140-L163 HydrophobicContact CB-CD2 4.39Å; K140-L163 HydrophobicContact CG-CD2 3.67Å; T159-L163 HydrophobicContact CG2-CD1 3.86Å; T159-L163 HydrophobicContact CG2-CG 4.37Å; T159-L163 WeakPolarHBondContact O-CB 3.33Å; T159-L163 VanDerWaalsContact O-CG 3.27Å; T159-L163 WeakPolarHBondContact O-CG 3.36Å; T159-L163 PolarHBondContact O-N 3.35Å; A160-L163 PolarHBondContact O-N 2.68Å; L163-I165 HydrophobicContact CB-CD1 4.04Å; L163-I165 HydrophobicContact CB-CG1 4Å; L163-I165 HydrophobicContact CB-CG2 4.23Å; L163-I165 HydrophobicContact CD1-CD1 3.85Å |
| 164 | G | 97.4 | Very high | 96.9 | Very high | 67 Ų | 67 | 16.5 Ų | 16.5 | 69% | 0.691 | 11% | 0.106 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 70.4 | 33.2 | -177.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | A160 D161 I162 | A160-G164 PolarHBondContact O-N 3.03Å; D161-G164 PolarHBondContact O-N 3.22Å; I162-G164 VanDerWaalsContact C-N 3.34Å |
| 165 | I | 98.2 | Very high | 96.9 | Very high | 31 Ų | 31 | 18.2 Ų | 18.2 | 16% | 0.159 | 11% | 0.113 | C | C | . | . | trans | -114 | 152.4 | -175.7 | 64.3 | -177.7 | 0 | 0 | 0 | 112 | Y144 L147 A160 L163 | Y144-I165 WeakPolarHBondContact O-CG2 3.5Å; L147-I165 HydrophobicContact CB-CD1 3.96Å; L147-I165 HydrophobicContact CB-CG1 4.29Å; A160-I165 HydrophobicContact CB-CG1 4.37Å; A160-I165 PolarHBondContact O-N 3.42Å; A160-I165 VanDerWaalsContact O-N 3.14Å; L163-I165 HydrophobicContact CB-CD1 4.04Å; L163-I165 HydrophobicContact CB-CG1 4Å; L163-I165 HydrophobicContact CB-CG2 4.23Å; L163-I165 HydrophobicContact CD1-CD1 3.85Å | ||
| 166 | P | 98.4 | Very high | 96.8 | Very high | 21 Ų | 21 | 18.2 Ų | 18.2 | 14% | 0.136 | 11% | 0.113 | C | C | . | . | trans | -54 | 150.4 | 173.1 | -26.8 | 34.6 | 0 | 0 | 0 | 113.6 | D145 L146 L147 D253 T466 | D145-P166 VanDerWaalsContact O-CD 3.31Å; D145-P166 WeakPolarHBondContact O-CD 3.29Å; L146-P166 CarbonylContact C-O 3.58Å; L146-P166 WeakPolarHBondContact CA-O 3.31Å; L146-P166 HydrophobicContact CB-CB 4.12Å; L147-P166 PolarHBondContact N-O 3.42Å; P166-D253 VanDerWaalsContact CA-OD2 3.22Å; P166-D253 WeakPolarHBondContact CA-OD2 3.36Å; P166-D253 VanDerWaalsContact CB-OD2 3.32Å; P166-D253 WeakPolarHBondContact CB-OD2 3.3Å; P166-T466 HydrophobicContact CB-CG2 3.55Å; P166-T466 HydrophobicContact CG-CG2 4.48Å | ||
| 167 | L | 98.7 | Very high | 96.7 | Very high | 8 Ų | 8 | 18.6 Ų | 18.6 | 4% | 0.042 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123.4 | 124.9 | -177.4 | 176.1 | 66.4 | 0 | 0 | 0 | 111 | L147 D157 A160 L169 A252 D253 | L147-L167 HydrophobicContact CB-CD1 4.27Å; L147-L167 HydrophobicContact CD2-CD1 3.62Å; D157-L167 HydrophobicContact CB-CD2 3.93Å; A160-L167 HydrophobicContact CB-CB 4.11Å; A160-L167 HydrophobicContact CB-CD1 4.16Å; L167-L169 HydrophobicContact CD1-CD2 3.9Å; L167-L169 HydrophobicContact CD2-CD2 4.1Å; L167-L169 HydrophobicContact CD2-CG 4.27Å; L167-L169 HydrophobicContact CG-CD2 4.03Å; L167-L169 HydrophobicContact CG-CG 4.17Å; L167-A252 HydrophobicContact CD2-CB 3.92Å; L167-A252 HydrophobicContact CG-CB 4.07Å; L167-D253 PolarHBondContact N-OD2 3.31Å; L167-D253 PolarHBondContact O-N 3.11Å |
| 168 | V | 98.8 | Very high | 96.6 | Very high | 0 Ų | 0 | 18.3 Ų | 18.3 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 124.8 | 169.4 | -179.6 | 0 | 0 | 0 | 0 | 108.9 | L146 L147 F148 A149 I254 L256 I463 T466 | L146-V168 HydrophobicContact CD2-CG2 4.3Å; L147-V168 PolarHBondContact O-N 2.7Å; F148-V168 WeakPolarHBondContact CA-O 3.41Å; F148-V168 HydrophobicContact CD2-CB 4.04Å; F148-V168 HydrophobicContact CD2-CG1 3.88Å; F148-V168 WeakPolarHBondContact CD2-O 3.36Å; F148-V168 HydrophobicContact CE2-CG1 4.1Å; A149-V168 PolarHBondContact N-O 3.01Å; V168-I254 WeakPolarHBondContact CA-O 3.41Å; V168-I254 HydrophobicContact CG1-CB 4.19Å; V168-I254 HydrophobicContact CG1-CG2 4.3Å; V168-I254 HydrophobicContact CG2-CB 4.33Å; V168-L256 HydrophobicContact CG1-CD1 4Å; V168-L256 HydrophobicContact CG1-CG 3.96Å; V168-I463 HydrophobicContact CG1-CG1 4.06Å; V168-T466 HydrophobicContact CG2-CG2 3.93Å |
| 169 | L | 98.6 | Very high | 96.5 | Very high | 2 Ų | 2 | 18.6 Ų | 18.6 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 139.1 | 177.6 | -65 | 178.5 | 0 | 0 | 0 | 110.4 | A149 P151 L167 M249 A252 I254 W255 L256 | A149-L169 HydrophobicContact CB-CD2 4.11Å; A149-L169 CarbonylContact O-C 3.15Å; A149-L169 VanDerWaalsContact O-CA 3.3Å; A149-L169 WeakPolarHBondContact O-CA 3.35Å; P151-L169 HydrophobicContact CB-CD1 4.13Å; P151-L169 HydrophobicContact CB-CD2 4.04Å; P151-L169 HydrophobicContact CG-CB 4.34Å; P151-L169 HydrophobicContact CG-CD1 4.18Å; P151-L169 HydrophobicContact CG-CD2 4.3Å; L167-L169 HydrophobicContact CD1-CD2 3.9Å; L167-L169 HydrophobicContact CD2-CD2 4.1Å; L167-L169 HydrophobicContact CD2-CG 4.27Å; L167-L169 HydrophobicContact CG-CD2 4.03Å; L167-L169 HydrophobicContact CG-CG 4.17Å; L169-M249 HydrophobicContact CD1-CG 3.7Å; L169-A252 HydrophobicContact CD1-CB 3.58Å; L169-A252 HydrophobicContact CG-CB 3.77Å; L169-I254 PolarHBondContact N-O 3.27Å; L169-W255 HydrophobicContact CB-CD2 4.3Å; L169-W255 HydrophobicContact CB-CE3 4.1Å; L169-W255 HydrophobicContact CB-CZ3 4.49Å; L169-W255 HydrophobicContact CD1-CD2 4.06Å; L169-W255 HydrophobicContact CD1-CE3 3.97Å; L169-W255 HydrophobicContact CD1-CH2 3.51Å; L169-W255 HydrophobicContact CD1-CZ2 3.58Å; L169-W255 HydrophobicContact CD1-CZ3 3.7Å; L169-L256 WeakPolarHBondContact O-CB 3.34Å; L169-L256 PolarHBondContact O-N 3.45Å |
| 170 | S | 97.7 | Very high | 96.3 | Very high | 1 Ų | 1 | 18.7 Ų | 18.7 | 1% | 0.007 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.7 | 116.2 | 165 | -173.5 | 0 | 0 | 0 | 0 | 108.9 | A149 D150 P151 L256 R258 | A149-S170 PolarHBondContact O-N 2.93Å; D150-S170 VanDerWaalsContact CA-O 3.31Å; D150-S170 WeakPolarHBondContact CA-O 3.47Å; P151-S170 WeakPolarHBondContact CD-O 3.21Å; S170-L256 VanDerWaalsContact CA-O 3.31Å; S170-L256 WeakPolarHBondContact CA-O 3.29Å; S170-R258 PolarHBondContact O-NH1 3.31Å; S170-R258 WeakPolarHBondContact OG-CG 3.3Å; S170-R258 PolarHBondContact OG-NH1 2.88Å |
| 171 | L | 96.6 | Very high | 96.2 | Very high | 1 Ų | 1 | 20.6 Ų | 20.6 | 1% | 0.005 | 12% | 0.122 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 137.2 | -177 | 178.8 | 62.8 | 0 | 0 | 0 | 110 | P151 I152 F173 L179 E180 W255 L256 M257 R258 | P151-L171 HydrophobicContact CG-CB 4.13Å; P151-L171 HydrophobicContact CG-CD1 4.03Å; P151-L171 HydrophobicContact CG-CG 4.45Å; I152-L171 HydrophobicContact CD1-CD1 4.43Å; I152-L171 HydrophobicContact CG1-CD1 4.06Å; L171-F173 VanDerWaalsContact CD1-O 3.24Å; L171-F173 WeakPolarHBondContact CD1-O 3.44Å; L171-L179 HydrophobicContact CD1-CD1 4.4Å; L171-L179 HydrophobicContact CD2-CB 4.2Å; L171-E180 HydrophobicContact CD2-CB 4.35Å; L171-E180 WeakPolarHBondContact CD2-OE2 3.46Å; L171-W255 HydrophobicContact CD2-CE3 4.34Å; L171-W255 HydrophobicContact CD2-CZ3 3.97Å; L171-L256 PolarHBondContact N-O 2.95Å; L171-M257 HydrophobicContact CB-CE 4.45Å; L171-M257 HydrophobicContact CB-SD 4.16Å; L171-M257 HydrophobicContact CD2-CE 4.22Å; L171-M257 HydrophobicContact CD2-SD 4.37Å; L171-M257 HydrophobicContact CG-CE 4.28Å; L171-M257 CarbonylContact O-C 3.5Å; L171-M257 VanDerWaalsContact O-CA 3.3Å; L171-M257 WeakPolarHBondContact O-CA 3.23Å; L171-R258 PolarHBondContact O-N 3.32Å |
| 172 | C | 93.4 | Very high | 96 | Very high | 16 Ų | 16 | 22.2 Ų | 22.2 | 11% | 0.108 | 13% | 0.129 | C | C | . | . | S | Bend | trans | -88.1 | -56.4 | 169.4 | -167.7 | 0 | 0 | 0 | 0 | 110.8 | R258 | C172-R258 HydrophobicContact CB-CB 4.29Å; C172-R258 VanDerWaalsContact N-NH2 3.17Å |
| 173 | F | 92.7 | Very high | 95.9 | Very high | 47 Ų | 47 | 20.6 Ų | 20.6 | 21% | 0.206 | 12% | 0.121 | C | C | . | . | trans | -158.4 | 162.8 | -179.5 | 76.8 | -79.2 | 0 | 0 | 0 | 109.4 | L171 D397 | L171-F173 VanDerWaalsContact CD1-O 3.24Å; L171-F173 WeakPolarHBondContact CD1-O 3.44Å; F173-D397 HydrophobicContact CD1-CB 3.82Å; F173-D397 HydrophobicContact CD2-CB 4.24Å; F173-D397 HydrophobicContact CE1-CB 3.55Å; F173-D397 VanDerWaalsContact CE1-CG 3.49Å; F173-D397 HydrophobicContact CE2-CB 3.99Å; F173-D397 HydrophobicContact CG-CB 4.18Å; F173-D397 HydrophobicContact CZ-CB 3.65Å | ||
| 174 | S | 94.1 | Very high | 95.8 | Very high | 5 Ų | 5 | 19 Ų | 19 | 4% | 0.035 | 11% | 0.113 | C | C | . | . | trans | -133.6 | 152.4 | 159.5 | 67.5 | 0 | 0 | 0 | 0 | 109.4 | G176 N177 N178 L179 E180 A196 | S174-G176 PolarHBondContact O-N 3.09Å; S174-N177 WeakPolarHBondContact O-CA 3.44Å; S174-N177 PolarHBondContact O-N 3.46Å; S174-N178 PolarHBondContact OG-N 3.18Å; S174-L179 PolarHBondContact OG-N 2.75Å; S174-E180 PolarHBondContact OG-OE2 3.5Å; S174-A196 VanDerWaalsContact O-CB 3.3Å; S174-A196 WeakPolarHBondContact O-CB 3.25Å | ||
| 175 | L | 92 | Very high | 95.7 | Very high | 50 Ų | 50 | 17.9 Ų | 17.9 | 26% | 0.262 | 9% | 0.089 | S | C | . | . | G | 310 helix | trans | -56 | 130 | -178.8 | -70.1 | 176.3 | 0 | 0 | 0 | 110.8 | F111 N177 N178 A197 M222 | F111-L175 HydrophobicContact CE1-CD1 4.19Å; F111-L175 HydrophobicContact CZ-CD1 4Å; L175-N177 PolarHBondContact O-N 2.87Å; L175-N177 VanDerWaalsContact O-N 3.13Å; L175-N178 VanDerWaalsContact O-CB 3.27Å; L175-N178 WeakPolarHBondContact O-CB 3.47Å; L175-N178 PolarHBondContact O-N 2.73Å; L175-N178 VanDerWaalsContact O-N 3.08Å; L175-A197 HydrophobicContact CD2-CB 3.69Å; L175-M222 HydrophobicContact CD1-CE 4.14Å |
| 176 | G | 93.9 | Very high | 95.6 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.082 | C | C | . | . | G | 310 helix | trans | 57.5 | 26.9 | -176.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | S174 N178 R181 A196 Y216 | S174-G176 PolarHBondContact O-N 3.09Å; G176-N178 PolarHBondContact O-N 3.01Å; G176-R181 PolarHBondContact O-NH2 3.1Å; G176-A196 PolarHBondContact N-O 2.77Å; G176-A196 VanDerWaalsContact N-O 3.08Å; G176-Y216 VanDerWaalsContact O-CD1 3.23Å; G176-Y216 WeakPolarHBondContact O-CD1 3.39Å; G176-Y216 WeakPolarHBondContact O-CE1 3.47Å |
| 177 | N | 94.9 | Very high | 95.5 | Very high | 11 Ų | 11 | 17 Ų | 17 | 6% | 0.059 | 9% | 0.085 | C | C | . | . | G | 310 helix | trans | 51.1 | 27.8 | -174.2 | -52.6 | 103.6 | 0 | 0 | 0 | 113.7 | S174 L175 L179 E180 R181 P194 A196 Y216 R267 | S174-N177 WeakPolarHBondContact O-CA 3.44Å; S174-N177 PolarHBondContact O-N 3.46Å; L175-N177 PolarHBondContact O-N 2.87Å; L175-N177 VanDerWaalsContact O-N 3.13Å; N177-L179 PolarHBondContact O-N 2.76Å; N177-E180 VanDerWaalsContact CA-CD 3.44Å; N177-E180 WeakPolarHBondContact CA-OE1 2.94Å; N177-E180 HydrophobicContact CB-CG 3.94Å; N177-E180 WeakPolarHBondContact CB-OE1 3.42Å; N177-E180 PolarHBondContact ND2-OE1 2.84Å; N177-R181 WeakPolarHBondContact O-CB 3.3Å; N177-R181 PolarHBondContact O-N 3.04Å; N177-P194 PolarHBondContact OD1-O 2.9Å; N177-A196 PolarHBondContact OD1-N 2.83Å; N177-A196 VanDerWaalsContact OD1-N 3.16Å; N177-Y216 HydrophobicContact CB-CE1 4.34Å; N177-Y216 PolarHBondContact OD1-OH 2.92Å; N177-R267 PolarHBondContact ND2-NH1 3.21Å |
| 178 | N | 94.8 | Very high | 95.4 | Very high | 3 Ų | 3 | 17.1 Ų | 17.1 | 2% | 0.016 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -58.7 | -47.6 | -167.3 | -175.6 | -95.1 | 0 | 0 | 0 | 112.8 | S174 L175 G176 M182 D220 M223 W228 | S174-N178 PolarHBondContact OG-N 3.18Å; L175-N178 VanDerWaalsContact O-CB 3.27Å; L175-N178 WeakPolarHBondContact O-CB 3.47Å; L175-N178 PolarHBondContact O-N 2.73Å; L175-N178 VanDerWaalsContact O-N 3.08Å; G176-N178 PolarHBondContact O-N 3.01Å; N178-M182 WeakPolarHBondContact O-CA 3.34Å; N178-M182 WeakPolarHBondContact O-CB 3.37Å; N178-M182 WeakPolarHBondContact O-CG 3.07Å; N178-M182 PolarHBondContact O-N 2.78Å; N178-D220 PolarHBondContact ND2-OD1 2.93Å; N178-M223 HydrophobicContact CB-CG 4.1Å; N178-W228 PolarHBondContact OD1-NE1 3.29Å |
| 179 | L | 95.8 | Very high | 95.3 | Very high | 6 Ų | 6 | 19 Ų | 19 | 3% | 0.031 | 10% | 0.1 | C | C | . | . | I | π-helix | trans | -64.3 | -54.5 | -178.4 | -59.4 | -170.9 | 0 | 0 | 0 | 111.7 | P151 I152 L171 S174 N177 R181 C183 G184 W228 M249 | P151-L179 HydrophobicContact CB-CD1 4.28Å; P151-L179 HydrophobicContact CG-CD1 4.26Å; I152-L179 HydrophobicContact CD1-CD1 4.36Å; L171-L179 HydrophobicContact CD1-CD1 4.4Å; L171-L179 HydrophobicContact CD2-CB 4.2Å; S174-L179 PolarHBondContact OG-N 2.75Å; N177-L179 PolarHBondContact O-N 2.76Å; L179-R181 VanDerWaalsContact C-N 3.35Å; L179-R181 PolarHBondContact O-N 2.78Å; L179-C183 WeakPolarHBondContact O-CA 3.31Å; L179-C183 VanDerWaalsContact O-CB 3.26Å; L179-C183 WeakPolarHBondContact O-CB 3.29Å; L179-C183 PolarHBondContact O-N 3.46Å; L179-G184 PolarHBondContact O-N 3.01Å; L179-W228 HydrophobicContact CD2-CH2 3.46Å; L179-W228 VanDerWaalsContact CD2-CH2 3.46Å; L179-W228 HydrophobicContact CD2-CZ2 3.41Å; L179-W228 VanDerWaalsContact CD2-CZ2 3.41Å; L179-M249 HydrophobicContact CB-SD 4.14Å; L179-M249 HydrophobicContact CD1-CE 4.45Å; L179-M249 HydrophobicContact CD1-SD 4.24Å; L179-M249 HydrophobicContact CD2-CE 4.18Å; L179-M249 HydrophobicContact CD2-SD 4.02Å; L179-M249 HydrophobicContact CG-SD 4.35Å |
| 180 | E | 95.4 | Very high | 95.2 | Very high | 2 Ų | 2 | 21.2 Ų | 21.2 | 1% | 0.009 | 12% | 0.115 | C | C | . | . | I | π-helix | trans | -67 | -34.8 | -177 | 61.2 | -90.2 | -149.3 | 0 | 0 | 112.5 | L171 S174 N177 G184 Q185 L186 F273 | L171-E180 HydrophobicContact CD2-CB 4.35Å; L171-E180 WeakPolarHBondContact CD2-OE2 3.46Å; S174-E180 PolarHBondContact OG-OE2 3.5Å; N177-E180 VanDerWaalsContact CA-CD 3.44Å; N177-E180 WeakPolarHBondContact CA-OE1 2.94Å; N177-E180 HydrophobicContact CB-CG 3.94Å; N177-E180 WeakPolarHBondContact CB-OE1 3.42Å; N177-E180 PolarHBondContact ND2-OE1 2.84Å; E180-G184 CarbonylContact O-C 3.56Å; E180-G184 WeakPolarHBondContact O-CA 3.29Å; E180-G184 PolarHBondContact O-N 3.04Å; E180-Q185 PolarHBondContact O-N 3.32Å; E180-Q185 VanDerWaalsContact O-N 3.11Å; E180-L186 HydrophobicContact CB-CB 4.25Å; E180-L186 HydrophobicContact CB-CD2 4.13Å; E180-L186 HydrophobicContact CG-CD2 4.11Å; E180-L186 VanDerWaalsContact O-CB 3.25Å; E180-L186 WeakPolarHBondContact O-CB 3.2Å; E180-L186 PolarHBondContact O-N 2.8Å; E180-F273 HydrophobicContact CB-CE1 3.89Å; E180-F273 HydrophobicContact CB-CZ 4.34Å |
| 181 | R | 95.3 | Very high | 95.1 | Very high | 44 Ų | 44 | 24 Ų | 24 | 17% | 0.166 | 13% | 0.134 | C | C | . | . | I | π-helix | trans | -80.3 | -49.8 | -180 | 179.3 | 174.8 | 49.9 | 88.3 | 3.4 | 112.5 | G176 N177 L179 Q185 L186 A188 D220 | G176-R181 PolarHBondContact O-NH2 3.1Å; N177-R181 WeakPolarHBondContact O-CB 3.3Å; N177-R181 PolarHBondContact O-N 3.04Å; L179-R181 VanDerWaalsContact C-N 3.35Å; L179-R181 PolarHBondContact O-N 2.78Å; R181-Q185 VanDerWaalsContact O-CA 3.29Å; R181-Q185 WeakPolarHBondContact O-CA 2.94Å; R181-Q185 PolarHBondContact O-N 3.13Å; R181-L186 WeakPolarHBondContact CA-O 3.46Å; R181-A188 HydrophobicContact CG-CB 4.45Å; R181-D220 IonicContact CZ-OD1 3.43Å; R181-D220 IonicContact CZ-OD2 2.85Å; R181-D220 IonicContact NH1-OD1 2.83Å; R181-D220 IonicContact NH1-OD2 3.24Å; R181-D220 PolarHBondContact NH1-OD2 3.04Å; R181-D220 IonicContact NH2-OD1 3.92Å; R181-D220 PolarHBondContact NH2-OD1 3.36Å; R181-D220 IonicContact NH2-OD2 3.92Å; R181-D220 PolarHBondContact NH2-OD2 3.28Å |
| 182 | M | 93.9 | Very high | 95.1 | Very high | 81 Ų | 81 | 27.8 Ų | 27.8 | 40% | 0.399 | 15% | 0.15 | S | C | . | . | I | π-helix | trans | -80.9 | -45.8 | -172.7 | -60.4 | -60.8 | -70.2 | 0 | 0 | 111.5 | N178 Q185 | N178-M182 WeakPolarHBondContact O-CA 3.34Å; N178-M182 WeakPolarHBondContact O-CB 3.37Å; N178-M182 WeakPolarHBondContact O-CG 3.07Å; N178-M182 PolarHBondContact O-N 2.78Å; M182-Q185 PolarHBondContact O-NE2 3.35Å |
| 183 | C | 95.4 | Very high | 95.3 | Very high | 3 Ų | 3 | 27.4 Ų | 27.4 | 2% | 0.02 | 15% | 0.148 | C | C | . | . | I | π-helix | trans | -90.6 | -46 | -176.5 | -47.7 | 0 | 0 | 0 | 0 | 110.8 | L179 W228 C246 M249 G250 H480 | L179-C183 WeakPolarHBondContact O-CA 3.31Å; L179-C183 VanDerWaalsContact O-CB 3.26Å; L179-C183 WeakPolarHBondContact O-CB 3.29Å; L179-C183 PolarHBondContact O-N 3.46Å; C183-W228 VanDerWaalsContact SG-CZ2 3.58Å; C183-C246 WeakPolarHBondContact CA-SG 3.37Å; C183-C246 HydrophobicContact CB-CB 4.14Å; C183-C246 VanDerWaalsContact CB-O 3.3Å; C183-C246 WeakPolarHBondContact CB-O 3.21Å; C183-C246 WeakPolarHBondContact CB-SG 3.27Å; C183-C246 PolarHBondContact N-SG 3Å; C183-C246 VanDerWaalsContact N-SG 3.43Å; C183-C246 WeakPolarHBondContact SG-CA 3.12Å; C183-C246 WeakPolarHBondContact SG-CB 3.27Å; C183-C246 CovalentContact SG-SG 2.05Å; C183-C246 PolarHBondContact SG-SG 3.34Å; C183-M249 HydrophobicContact CB-CB 4.24Å; C183-M249 HydrophobicContact CB-CG 4.36Å; C183-M249 HydrophobicContact CB-SD 4.15Å; C183-G250 WeakPolarHBondContact O-CA 3.36Å; C183-H480 PolarHBondContact O-CE1 3.41Å |
| 184 | G | 95.9 | Very high | 95.5 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 14% | 0.142 | C | C | . | . | S | Bend | trans | -80.6 | -9.3 | -179.6 | 0 | 0 | 0 | 0 | 0 | 115.6 | L179 E180 L186 F273 | L179-G184 PolarHBondContact O-N 3.01Å; E180-G184 CarbonylContact O-C 3.56Å; E180-G184 WeakPolarHBondContact O-CA 3.29Å; E180-G184 PolarHBondContact O-N 3.04Å; G184-L186 PolarHBondContact O-N 3.11Å; G184-L186 VanDerWaalsContact O-N 3.13Å; G184-F273 WeakPolarHBondContact O-CE2 3.43Å |
| 185 | Q | 95.8 | Very high | 95.6 | Very high | 44 Ų | 44 | 25.5 Ų | 25.5 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | trans | 59.5 | 15.6 | -177.7 | -60.5 | -66.4 | -41.8 | 0 | 0 | 114.8 | E180 R181 M182 P187 L270 V477 A479 H480 | E180-Q185 PolarHBondContact O-N 3.32Å; E180-Q185 VanDerWaalsContact O-N 3.11Å; R181-Q185 VanDerWaalsContact O-CA 3.29Å; R181-Q185 WeakPolarHBondContact O-CA 2.94Å; R181-Q185 PolarHBondContact O-N 3.13Å; M182-Q185 PolarHBondContact O-NE2 3.35Å; Q185-P187 WeakPolarHBondContact O-CD 3.36Å; Q185-L270 WeakPolarHBondContact O-CD1 3.27Å; Q185-V477 HydrophobicContact CB-CG2 4.46Å; Q185-A479 HydrophobicContact CB-CB 4.09Å; Q185-A479 HydrophobicContact CG-CB 4.2Å; Q185-H480 VanDerWaalsContact CG-CE1 3.46Å; Q185-H480 WeakPolarHBondContact CG-CE1 3.48Å; Q185-H480 WeakPolarHBondContact CG-ND1 3.49Å | ||
| 186 | L | 96.4 | Very high | 95.7 | Very high | 1 Ų | 1 | 23.6 Ų | 23.6 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | trans | -65.3 | 121.2 | 177.2 | -176.2 | 67.6 | 0 | 0 | 0 | 109.4 | E180 R181 G184 A188 R267 L270 F273 F275 | E180-L186 HydrophobicContact CB-CB 4.25Å; E180-L186 HydrophobicContact CB-CD2 4.13Å; E180-L186 HydrophobicContact CG-CD2 4.11Å; E180-L186 VanDerWaalsContact O-CB 3.25Å; E180-L186 WeakPolarHBondContact O-CB 3.2Å; E180-L186 PolarHBondContact O-N 2.8Å; R181-L186 WeakPolarHBondContact CA-O 3.46Å; G184-L186 PolarHBondContact O-N 3.11Å; G184-L186 VanDerWaalsContact O-N 3.13Å; L186-A188 PolarHBondContact O-N 2.9Å; L186-R267 VanDerWaalsContact CD2-CZ 3.49Å; L186-L270 HydrophobicContact CD1-CB 4.35Å; L186-L270 HydrophobicContact CD1-CG 4.01Å; L186-F273 HydrophobicContact CB-CD1 4.32Å; L186-F273 HydrophobicContact CB-CE1 3.9Å; L186-F273 HydrophobicContact CB-CE2 4.24Å; L186-F273 HydrophobicContact CB-CZ 3.84Å; L186-F273 HydrophobicContact CD1-CB 4.3Å; L186-F273 HydrophobicContact CD1-CD1 4.03Å; L186-F273 HydrophobicContact CD1-CD2 4.33Å; L186-F273 HydrophobicContact CD1-CE1 4.47Å; L186-F273 HydrophobicContact CD1-CG 3.96Å; L186-F273 HydrophobicContact CD2-CD1 3.76Å; L186-F273 HydrophobicContact CD2-CE1 3.83Å; L186-F273 HydrophobicContact CG-CD1 4.26Å; L186-F273 HydrophobicContact CG-CE1 4.28Å; L186-F275 HydrophobicContact CD2-CZ 4.42Å | ||
| 187 | P | 95.6 | Very high | 95.6 | Very high | 31 Ų | 31 | 24.7 Ų | 24.7 | 20% | 0.201 | 14% | 0.14 | C | C | . | . | trans | -61.4 | 137.2 | -178.3 | -22.1 | 32.1 | 0 | 0 | 0 | 111.9 | Q185 R267 P268 L270 | Q185-P187 WeakPolarHBondContact O-CD 3.36Å; P187-R267 PolarHBondContact O-NH2 3.05Å; P187-P268 HydrophobicContact CB-CB 3.99Å; P187-P268 HydrophobicContact CB-CG 4.29Å; P187-P268 HydrophobicContact CG-CB 4.27Å; P187-L270 HydrophobicContact CG-CD2 4.4Å | ||
| 188 | A | 96.2 | Very high | 95.6 | Very high | 11 Ų | 11 | 25.2 Ų | 25.2 | 9% | 0.091 | 15% | 0.145 | C | C | . | . | trans | -137.6 | 76.5 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.4 | R181 L186 P190 V193 | R181-A188 HydrophobicContact CG-CB 4.45Å; L186-A188 PolarHBondContact O-N 2.9Å; A188-P190 WeakPolarHBondContact O-CD 3.31Å; A188-V193 HydrophobicContact CB-CB 4.3Å; A188-V193 HydrophobicContact CB-CG1 3.95Å | ||
| 189 | P | 96.3 | Very high | 95.6 | Very high | 39 Ų | 39 | 30 Ų | 30 | 25% | 0.253 | 17% | 0.165 | S | C | . | . | trans | -61.2 | 118.5 | 178.5 | -23.2 | 34.6 | 0 | 0 | 0 | 110.3 | S191 F192 V193 P268 | P189-S191 PolarHBondContact O-N 3.14Å; P189-F192 HydrophobicContact CB-CD1 4.13Å; P189-F192 HydrophobicContact CB-CE1 3.58Å; P189-F192 HydrophobicContact CB-CZ 4.07Å; P189-F192 HydrophobicContact CG-CE1 3.78Å; P189-F192 HydrophobicContact CG-CZ 3.8Å; P189-F192 PolarHBondContact O-N 3.04Å; P189-V193 WeakPolarHBondContact O-CB 3.04Å; P189-V193 PolarHBondContact O-N 3.22Å; P189-P268 HydrophobicContact CG-CG 4.23Å | ||
| 190 | P | 96.3 | Very high | 95.6 | Very high | 50 Ų | 50 | 31 Ų | 31 | 33% | 0.325 | 17% | 0.171 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -69.5 | -6.6 | -172.2 | 28.9 | -37 | 0 | 0 | 0 | 113.3 | A188 F192 N212 V213 Y216 | A188-P190 WeakPolarHBondContact O-CD 3.31Å; P190-F192 VanDerWaalsContact C-N 3.31Å; P190-N212 PolarHBondContact O-ND2 3.41Å; P190-V213 HydrophobicContact CB-CG2 3.78Å; P190-V213 HydrophobicContact CG-CG2 3.92Å; P190-Y216 HydrophobicContact CB-CD2 3.78Å; P190-Y216 HydrophobicContact CB-CE2 3.88Å |
| 191 | S | 96 | Very high | 95.7 | Very high | 60 Ų | 60 | 32.6 Ų | 32.6 | 42% | 0.42 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72 | -21.5 | 175.3 | 52.3 | 0 | 0 | 0 | 0 | 113.9 | P189 R209 | P189-S191 PolarHBondContact O-N 3.14Å; S191-R209 WeakPolarHBondContact O-CD 3.44Å |
| 192 | F | 96.3 | Very high | 95.8 | Very high | 79 Ų | 79 | 32.8 Ų | 32.8 | 35% | 0.346 | 19% | 0.185 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -151.7 | -10.1 | 179.8 | 68.5 | -93.4 | 0 | 0 | 0 | 114.7 | P189 P190 P194 D202 P268 | P189-F192 HydrophobicContact CB-CD1 4.13Å; P189-F192 HydrophobicContact CB-CE1 3.58Å; P189-F192 HydrophobicContact CB-CZ 4.07Å; P189-F192 HydrophobicContact CG-CE1 3.78Å; P189-F192 HydrophobicContact CG-CZ 3.8Å; P189-F192 PolarHBondContact O-N 3.04Å; P190-F192 VanDerWaalsContact C-N 3.31Å; F192-P194 WeakPolarHBondContact O-CD 3.26Å; F192-D202 VanDerWaalsContact O-CA 3.29Å; F192-D202 WeakPolarHBondContact O-CA 3.3Å; F192-D202 WeakPolarHBondContact O-CB 3.33Å; F192-P268 HydrophobicContact CZ-CG 4.08Å |
| 193 | V | 97.5 | Very high | 95.9 | Very high | 8 Ų | 8 | 36.8 Ų | 36.8 | 5% | 0.048 | 20% | 0.2 | C | C | . | . | S | Bend | trans | -95.3 | 110 | 169.6 | -175.7 | 0 | 0 | 0 | 0 | 107.5 | A188 P189 N212 Y216 R267 | A188-V193 HydrophobicContact CB-CB 4.3Å; A188-V193 HydrophobicContact CB-CG1 3.95Å; P189-V193 WeakPolarHBondContact O-CB 3.04Å; P189-V193 PolarHBondContact O-N 3.22Å; V193-N212 PolarHBondContact O-ND2 3.35Å; V193-Y216 PolarHBondContact O-OH 3.42Å; V193-R267 HydrophobicContact CG2-CB 3.89Å |
| 194 | P | 97 | Very high | 96 | Very high | 13 Ų | 13 | 37.8 Ų | 37.8 | 8% | 0.084 | 21% | 0.205 | C | C | . | . | P | Polyproline II helix | trans | -69.2 | 139.9 | 175.5 | 29.5 | -33.8 | 0 | 0 | 0 | 109.8 | N177 F192 A196 L200 Y216 F265 | N177-P194 PolarHBondContact OD1-O 2.9Å; F192-P194 WeakPolarHBondContact O-CD 3.26Å; P194-A196 PolarHBondContact O-N 2.68Å; P194-L200 HydrophobicContact CB-CB 3.84Å; P194-Y216 PolarHBondContact O-OH 3.29Å; P194-F265 HydrophobicContact CG-CD2 4.1Å |
| 195 | G | 96.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 41.9 Ų | 41.9 | 0% | 0 | 23% | 0.227 | C | C | . | . | P | Polyproline II helix | trans | -61.4 | 131.2 | 171.9 | 0 | 0 | 0 | 0 | 0 | 109.9 | A197 S198 N212 Y216 | G195-A197 PolarHBondContact O-N 2.99Å; G195-S198 WeakPolarHBondContact O-CB 3.46Å; G195-S198 PolarHBondContact O-N 3.01Å; G195-S198 PolarHBondContact O-OG 2.88Å; G195-N212 PolarHBondContact N-OD1 2.91Å; G195-Y216 VanDerWaalsContact CA-CZ 3.44Å; G195-Y216 WeakPolarHBondContact CA-OH 3.13Å; G195-Y216 PolarHBondContact N-OH 2.95Å |
| 196 | A | 94.8 | Very high | 96.2 | Very high | 9 Ų | 9 | 46.6 Ų | 46.6 | 7% | 0.074 | 25% | 0.247 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -54.6 | 133.4 | 176.5 | 0 | 0 | 0 | 0 | 0 | 110.8 | S174 G176 N177 P194 S198 F215 | S174-A196 VanDerWaalsContact O-CB 3.3Å; S174-A196 WeakPolarHBondContact O-CB 3.25Å; G176-A196 PolarHBondContact N-O 2.77Å; G176-A196 VanDerWaalsContact N-O 3.08Å; N177-A196 PolarHBondContact OD1-N 2.83Å; N177-A196 VanDerWaalsContact OD1-N 3.16Å; P194-A196 PolarHBondContact O-N 2.68Å; A196-S198 VanDerWaalsContact C-N 3.33Å; A196-F215 WeakPolarHBondContact O-CE1 3.34Å |
| 197 | A | 92.5 | Very high | 96.3 | Very high | 23 Ų | 23 | 50.1 Ų | 50.1 | 19% | 0.19 | 27% | 0.272 | C | S | . | . | T | Hydrogen-bonded Turn | trans | 72.9 | 7.6 | -170.7 | 0 | 0 | 0 | 0 | 0 | 116.8 | L175 G195 K199 D400 | L175-A197 HydrophobicContact CD2-CB 3.69Å; G195-A197 PolarHBondContact O-N 2.99Å; A197-K199 VanDerWaalsContact C-N 3.32Å; A197-D400 PolarHBondContact N-OD2 3.01Å |
| 198 | S | 93.9 | Very high | 96.4 | Very high | 22 Ų | 22 | 52.1 Ų | 52.1 | 15% | 0.154 | 28% | 0.278 | C | S | . | . | S | Bend | trans | -75.5 | -18.9 | 173.9 | 66 | 0 | 0 | 0 | 0 | 113.6 | G195 A196 L200 | G195-S198 WeakPolarHBondContact O-CB 3.46Å; G195-S198 PolarHBondContact O-N 3.01Å; G195-S198 PolarHBondContact O-OG 2.88Å; A196-S198 VanDerWaalsContact C-N 3.33Å; S198-L200 PolarHBondContact O-N 3.43Å; S198-L200 PolarHBondContact OG-N 3.43Å |
| 199 | K | 94.9 | Very high | 96.5 | Very high | 103 Ų | 103 | 56.5 Ų | 56.5 | 45% | 0.448 | 29% | 0.292 | S | S | . | . | trans | 63.8 | 23.5 | -175 | -48.5 | 177.3 | -165.4 | -179.6 | 0 | 113.1 | A197 P399 D400 V403 | A197-K199 VanDerWaalsContact C-N 3.32Å; K199-P399 HydrophobicContact CD-CB 4.07Å; K199-P399 HydrophobicContact CG-CB 4.39Å; K199-D400 WeakPolarHBondContact CA-OD1 3.34Å; K199-D400 PolarHBondContact N-OD1 3.39Å; K199-V403 HydrophobicContact CB-CG2 4.04Å | ||
| 200 | L | 96.9 | Very high | 96.6 | Very high | 27 Ų | 27 | 58.8 Ų | 58.8 | 14% | 0.141 | 30% | 0.302 | C | S | . | . | trans | -97.6 | 162.5 | 175.2 | -63 | 174.9 | 0 | 0 | 0 | 110.8 | P194 S198 M204 E208 N212 | P194-L200 HydrophobicContact CB-CB 3.84Å; S198-L200 PolarHBondContact O-N 3.43Å; S198-L200 PolarHBondContact OG-N 3.43Å; L200-M204 HydrophobicContact CB-CG 4.45Å; L200-M204 HydrophobicContact CB-SD 4.18Å; L200-M204 HydrophobicContact CD1-SD 3.89Å; L200-E208 HydrophobicContact CD2-CB 4.2Å; L200-E208 HydrophobicContact CD2-CG 4.15Å; L200-N212 HydrophobicContact CD1-CB 3.68Å | ||
| 201 | T | 97.1 | Very high | 96.6 | Very high | 37 Ų | 37 | 59.7 Ų | 59.7 | 23% | 0.227 | 31% | 0.31 | C | S | . | . | trans | -102.4 | 174 | 173.9 | 75.4 | 0 | 0 | 0 | 0 | 111.4 | K203 M204 F265 V403 A407 | T201-K203 PolarHBondContact O-N 3.02Å; T201-K203 PolarHBondContact OG1-N 2.96Å; T201-K203 PolarHBondContact OG1-O 3.3Å; T201-M204 VanDerWaalsContact O-CG 3.27Å; T201-M204 WeakPolarHBondContact O-CG 3.38Å; T201-F265 HydrophobicContact CG2-CZ 4.12Å; T201-V403 HydrophobicContact CG2-CG1 3.8Å; T201-A407 HydrophobicContact CG2-CB 4.31Å | ||
| 202 | D | 96.2 | Very high | 96.7 | Very high | 47 Ų | 47 | 56.9 Ų | 56.9 | 25% | 0.251 | 29% | 0.29 | S | S | . | . | S | Bend | trans | -69.4 | -8.7 | 171.3 | 65.2 | -25.8 | 0 | 0 | 0 | 114 | F192 F265 | F192-D202 VanDerWaalsContact O-CA 3.29Å; F192-D202 WeakPolarHBondContact O-CA 3.3Å; F192-D202 WeakPolarHBondContact O-CB 3.33Å; D202-F265 HydrophobicContact CB-CB 3.75Å; D202-F265 HydrophobicContact CB-CD1 4.03Å; D202-F265 HydrophobicContact CB-CD2 4.23Å; D202-F265 HydrophobicContact CB-CG 3.75Å; D202-F265 VanDerWaalsContact CG-CD1 3.45Å; D202-F265 WeakPolarHBondContact OD1-CD1 3.42Å; D202-F265 WeakPolarHBondContact OD1-CE1 3.45Å |
| 203 | K | 96.7 | Very high | 96.7 | Very high | 166 Ų | 166 | 56.5 Ų | 56.5 | 72% | 0.722 | 29% | 0.294 | S | S | * | . | S | Bend | trans | -111.8 | 89.3 | 176.9 | -64.1 | 179.2 | -173 | 175.4 | 0 | 109.7 | T201 | T201-K203 PolarHBondContact O-N 3.02Å; T201-K203 PolarHBondContact OG1-N 2.96Å; T201-K203 PolarHBondContact OG1-O 3.3Å |
| 204 | M | 97.4 | Very high | 96.6 | Very high | 24 Ų | 24 | 61.1 Ų | 61.1 | 12% | 0.118 | 32% | 0.318 | C | S | . | . | trans | -107 | 140.1 | -178.4 | -69.2 | 174.4 | -82.8 | 0 | 0 | 112.1 | L200 T201 E208 R209 N212 | L200-M204 HydrophobicContact CB-CG 4.45Å; L200-M204 HydrophobicContact CB-SD 4.18Å; L200-M204 HydrophobicContact CD1-SD 3.89Å; T201-M204 VanDerWaalsContact O-CG 3.27Å; T201-M204 WeakPolarHBondContact O-CG 3.38Å; M204-E208 VanDerWaalsContact CA-OE2 3.28Å; M204-E208 WeakPolarHBondContact CA-OE2 3.47Å; M204-E208 HydrophobicContact CB-CB 3.69Å; M204-E208 HydrophobicContact CG-CB 3.86Å; M204-R209 HydrophobicContact CB-CG 3.6Å; M204-R209 HydrophobicContact SD-CG 4.39Å; M204-N212 HydrophobicContact SD-CB 3.79Å | ||
| 205 | D | 97.8 | Very high | 96.5 | Very high | 86 Ų | 86 | 62.7 Ų | 62.7 | 46% | 0.46 | 32% | 0.323 | S | S | . | . | trans | -74.2 | -171.4 | 165.1 | 78.3 | 18.5 | 0 | 0 | 0 | 112.1 | S207 E208 R209 | D205-S207 WeakPolarHBondContact OD1-CA 3.35Å; D205-S207 WeakPolarHBondContact OD1-CB 3.31Å; D205-S207 PolarHBondContact OD1-N 3.25Å; D205-E208 PolarHBondContact N-OE2 3.15Å; D205-E208 PolarHBondContact OD1-N 3.02Å; D205-R209 WeakPolarHBondContact O-CB 3.39Å; D205-R209 WeakPolarHBondContact O-CG 3.43Å; D205-R209 PolarHBondContact O-N 3.37Å; D205-R209 PolarHBondContact O-NE 2.98Å | ||
| 206 | F | 98 | Very high | 96.5 | Very high | 142 Ų | 142 | 63.3 Ų | 63.3 | 62% | 0.623 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -67.2 | -42 | 178.6 | 177.8 | -96.4 | 0 | 0 | 0 | 113.1 | R209 L210 | F206-R209 PolarHBondContact O-N 2.8Å; F206-L210 WeakPolarHBondContact O-CB 3.08Å; F206-L210 PolarHBondContact O-N 3.23Å |
| 207 | S | 98.1 | Very high | 96.5 | Very high | 75 Ų | 75 | 65.4 Ų | 65.4 | 52% | 0.524 | 34% | 0.343 | S | S | . | . | H | α-helix | trans | -68 | -41.4 | -178.1 | -58.4 | 0 | 0 | 0 | 0 | 110.6 | D205 L210 S211 | D205-S207 WeakPolarHBondContact OD1-CA 3.35Å; D205-S207 WeakPolarHBondContact OD1-CB 3.31Å; D205-S207 PolarHBondContact OD1-N 3.25Å; S207-L210 PolarHBondContact O-N 3.34Å; S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.15Å; S207-S211 PolarHBondContact O-OG 2.71Å |
| 208 | E | 97.9 | Very high | 96.5 | Very high | 74 Ų | 74 | 68.1 Ų | 68.1 | 35% | 0.346 | 35% | 0.354 | S | S | . | . | H | α-helix | trans | -65.1 | -42.6 | 175.1 | -68.8 | 173.3 | 138 | 0 | 0 | 111.5 | L200 M204 D205 L210 S211 N212 | L200-E208 HydrophobicContact CD2-CB 4.2Å; L200-E208 HydrophobicContact CD2-CG 4.15Å; M204-E208 VanDerWaalsContact CA-OE2 3.28Å; M204-E208 WeakPolarHBondContact CA-OE2 3.47Å; M204-E208 HydrophobicContact CB-CB 3.69Å; M204-E208 HydrophobicContact CG-CB 3.86Å; D205-E208 PolarHBondContact N-OE2 3.15Å; D205-E208 PolarHBondContact OD1-N 3.02Å; E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 3.44Å; E208-S211 PolarHBondContact O-N 2.05Å; E208-N212 WeakPolarHBondContact O-CB 3.39Å; E208-N212 PolarHBondContact O-N 3.22Å |
| 209 | R | 98.3 | Very high | 96.4 | Very high | 102 Ų | 102 | 68 Ų | 68 | 39% | 0.385 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -62.5 | -40.8 | 173.2 | -75 | -177.3 | -61.4 | 163.6 | 3 | 112.3 | S191 M204 D205 F206 N212 V213 | S191-R209 WeakPolarHBondContact O-CD 3.44Å; M204-R209 HydrophobicContact CB-CG 3.6Å; M204-R209 HydrophobicContact SD-CG 4.39Å; D205-R209 WeakPolarHBondContact O-CB 3.39Å; D205-R209 WeakPolarHBondContact O-CG 3.43Å; D205-R209 PolarHBondContact O-N 3.37Å; D205-R209 PolarHBondContact O-NE 2.98Å; F206-R209 PolarHBondContact O-N 2.8Å; R209-N212 PolarHBondContact O-N 3.22Å; R209-V213 WeakPolarHBondContact O-CG2 3.41Å; R209-V213 PolarHBondContact O-N 3.34Å |
| 210 | L | 97.9 | Very high | 96.3 | Very high | 88 Ų | 88 | 64.8 Ų | 64.8 | 46% | 0.461 | 34% | 0.338 | S | S | . | . | H | α-helix | trans | -61.1 | -48.2 | 175 | 176.9 | 62.2 | 0 | 0 | 0 | 110.7 | F206 S207 E208 N212 V213 L214 | F206-L210 WeakPolarHBondContact O-CB 3.08Å; F206-L210 PolarHBondContact O-N 3.23Å; S207-L210 PolarHBondContact O-N 3.34Å; E208-L210 VanDerWaalsContact C-N 3.35Å; E208-L210 PolarHBondContact O-N 3.44Å; L210-N212 VanDerWaalsContact C-N 3.31Å; L210-N212 PolarHBondContact O-N 3.28Å; L210-V213 PolarHBondContact O-N 3.21Å; L210-L214 HydrophobicContact CD1-CD1 4.33Å; L210-L214 HydrophobicContact CD1-CG 4.41Å; L210-L214 HydrophobicContact CG-CD1 4.24Å; L210-L214 WeakPolarHBondContact O-CG 3.29Å; L210-L214 PolarHBondContact O-N 3.15Å |
| 211 | S | 96.7 | Very high | 96 | Very high | 69 Ų | 69 | 67.3 Ų | 67.3 | 48% | 0.483 | 36% | 0.355 | S | S | . | . | H | α-helix | trans | -58.4 | -41.7 | 175 | -68.5 | 0 | 0 | 0 | 0 | 112.2 | S207 E208 L214 F215 | S207-S211 WeakPolarHBondContact O-CB 3.2Å; S207-S211 PolarHBondContact O-N 3.15Å; S207-S211 PolarHBondContact O-OG 2.71Å; E208-S211 PolarHBondContact O-N 2.05Å; S211-L214 PolarHBondContact O-N 3.01Å; S211-F215 VanDerWaalsContact O-CB 3.27Å; S211-F215 WeakPolarHBondContact O-CB 3.16Å; S211-F215 PolarHBondContact O-N 2.74Å |
| 212 | N | 97.7 | Very high | 95.5 | Very high | 0 Ų | 0 | 65.8 Ų | 65.8 | 0% | 0 | 35% | 0.345 | C | S | . | . | H | α-helix | trans | -64.3 | -43.6 | 178.3 | -165.1 | 40.5 | 0 | 0 | 0 | 112 | P190 V193 G195 L200 M204 E208 R209 L210 F215 Y216 | P190-N212 PolarHBondContact O-ND2 3.41Å; V193-N212 PolarHBondContact O-ND2 3.35Å; G195-N212 PolarHBondContact N-OD1 2.91Å; L200-N212 HydrophobicContact CD1-CB 3.68Å; M204-N212 HydrophobicContact SD-CB 3.79Å; E208-N212 WeakPolarHBondContact O-CB 3.39Å; E208-N212 PolarHBondContact O-N 3.22Å; R209-N212 PolarHBondContact O-N 3.22Å; L210-N212 VanDerWaalsContact C-N 3.31Å; L210-N212 PolarHBondContact O-N 3.28Å; N212-F215 WeakPolarHBondContact O-CB 3.31Å; N212-F215 PolarHBondContact O-N 3.06Å; N212-Y216 VanDerWaalsContact O-CD2 3.26Å; N212-Y216 WeakPolarHBondContact O-CD2 3.29Å; N212-Y216 PolarHBondContact O-N 3.28Å |
| 213 | V | 97.4 | Very high | 95.2 | Very high | 71 Ų | 71 | 64.8 Ų | 64.8 | 43% | 0.43 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -60.6 | -46.4 | 174.8 | 170.3 | 0 | 0 | 0 | 0 | 111.1 | P190 R209 L210 F215 Y216 A217 | P190-V213 HydrophobicContact CB-CG2 3.78Å; P190-V213 HydrophobicContact CG-CG2 3.92Å; R209-V213 WeakPolarHBondContact O-CG2 3.41Å; R209-V213 PolarHBondContact O-N 3.34Å; L210-V213 PolarHBondContact O-N 3.21Å; V213-F215 VanDerWaalsContact C-N 3.31Å; V213-F215 PolarHBondContact O-N 3.11Å; V213-Y216 PolarHBondContact O-N 2.66Å; V213-A217 PolarHBondContact O-N 3.16Å; V213-A217 VanDerWaalsContact O-N 3.08Å |
| 214 | L | 96 | Very high | 94.8 | Very high | 105 Ų | 105 | 60.8 Ų | 60.8 | 55% | 0.55 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -64.8 | -37.3 | 177.5 | -67.9 | 175 | 0 | 0 | 0 | 111.8 | L210 S211 A217 L218 | L210-L214 HydrophobicContact CD1-CD1 4.33Å; L210-L214 HydrophobicContact CD1-CG 4.41Å; L210-L214 HydrophobicContact CG-CD1 4.24Å; L210-L214 WeakPolarHBondContact O-CG 3.29Å; L210-L214 PolarHBondContact O-N 3.15Å; S211-L214 PolarHBondContact O-N 3.01Å; L214-A217 PolarHBondContact O-N 2.87Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.01Å |
| 215 | F | 94.8 | Very high | 94.2 | Very high | 47 Ų | 47 | 63.6 Ų | 63.6 | 21% | 0.206 | 34% | 0.336 | C | S | . | . | H | α-helix | trans | -62.2 | -51.1 | 176 | -176 | -97.1 | 0 | 0 | 0 | 111 | A196 S211 N212 V213 A217 L218 Q219 | A196-F215 WeakPolarHBondContact O-CE1 3.34Å; S211-F215 VanDerWaalsContact O-CB 3.27Å; S211-F215 WeakPolarHBondContact O-CB 3.16Å; S211-F215 PolarHBondContact O-N 2.74Å; N212-F215 WeakPolarHBondContact O-CB 3.31Å; N212-F215 PolarHBondContact O-N 3.06Å; V213-F215 VanDerWaalsContact C-N 3.31Å; V213-F215 PolarHBondContact O-N 3.11Å; F215-A217 VanDerWaalsContact C-N 3.33Å; F215-A217 PolarHBondContact O-N 3.45Å; F215-L218 PolarHBondContact O-N 3.46Å; F215-Q219 HydrophobicContact CD1-CG 3.98Å; F215-Q219 HydrophobicContact CE1-CG 3.66Å; F215-Q219 HydrophobicContact CE2-CG 4.23Å; F215-Q219 HydrophobicContact CG-CG 4.41Å; F215-Q219 HydrophobicContact CZ-CG 3.79Å; F215-Q219 VanDerWaalsContact O-CG 3.3Å; F215-Q219 WeakPolarHBondContact O-CG 3.17Å; F215-Q219 PolarHBondContact O-N 3.46Å |
| 216 | Y | 96.2 | Very high | 93.4 | Very high | 13 Ų | 13 | 60.3 Ų | 60.3 | 5% | 0.051 | 32% | 0.319 | C | S | . | . | H | α-helix | trans | -54.5 | -48.4 | 174.7 | -83.7 | -64.8 | 0 | 0 | 0 | 112.1 | G176 N177 P190 V193 P194 G195 N212 V213 L218 Q219 D220 | G176-Y216 VanDerWaalsContact O-CD1 3.23Å; G176-Y216 WeakPolarHBondContact O-CD1 3.39Å; G176-Y216 WeakPolarHBondContact O-CE1 3.47Å; N177-Y216 HydrophobicContact CB-CE1 4.34Å; N177-Y216 PolarHBondContact OD1-OH 2.92Å; P190-Y216 HydrophobicContact CB-CD2 3.78Å; P190-Y216 HydrophobicContact CB-CE2 3.88Å; V193-Y216 PolarHBondContact O-OH 3.42Å; P194-Y216 PolarHBondContact O-OH 3.29Å; G195-Y216 VanDerWaalsContact CA-CZ 3.44Å; G195-Y216 WeakPolarHBondContact CA-OH 3.13Å; G195-Y216 PolarHBondContact N-OH 2.95Å; N212-Y216 VanDerWaalsContact O-CD2 3.26Å; N212-Y216 WeakPolarHBondContact O-CD2 3.29Å; N212-Y216 PolarHBondContact O-N 3.28Å; V213-Y216 PolarHBondContact O-N 2.66Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 3.19Å; Y216-Q219 PolarHBondContact O-N 3.03Å; Y216-D220 WeakPolarHBondContact O-CB 3.47Å; Y216-D220 PolarHBondContact O-N 3.15Å |
| 217 | A | 94.3 | Very high | 92.8 | Very high | 52 Ų | 52 | 55.6 Ų | 55.6 | 43% | 0.43 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -60.8 | -42.3 | 179.8 | 0 | 0 | 0 | 0 | 0 | 112.3 | V213 L214 F215 D220 V221 | V213-A217 PolarHBondContact O-N 3.16Å; V213-A217 VanDerWaalsContact O-N 3.08Å; L214-A217 PolarHBondContact O-N 2.87Å; F215-A217 VanDerWaalsContact C-N 3.33Å; F215-A217 PolarHBondContact O-N 3.45Å; A217-D220 PolarHBondContact O-N 3.44Å; A217-V221 WeakPolarHBondContact O-CG2 3.33Å; A217-V221 PolarHBondContact O-N 3.08Å; A217-V221 VanDerWaalsContact O-N 3.13Å |
| 218 | L | 92.1 | Very high | 92.4 | Very high | 81 Ų | 81 | 52.7 Ų | 52.7 | 42% | 0.424 | 28% | 0.277 | S | S | . | . | H | α-helix | trans | -64.8 | -45.6 | 177.1 | -178.6 | 63.1 | 0 | 0 | 0 | 111.6 | Y108 L214 F215 Y216 D220 V221 M222 | Y108-L218 HydrophobicContact CD2-CD1 4.07Å; Y108-L218 HydrophobicContact CD2-CD2 4.45Å; Y108-L218 HydrophobicContact CD2-CG 4.35Å; Y108-L218 HydrophobicContact CE2-CD1 3.83Å; Y108-L218 HydrophobicContact CE2-CG 4.34Å; L214-L218 WeakPolarHBondContact O-CB 3.38Å; L214-L218 PolarHBondContact O-N 3.01Å; F215-L218 PolarHBondContact O-N 3.46Å; Y216-L218 VanDerWaalsContact C-N 3.34Å; Y216-L218 PolarHBondContact O-N 3.19Å; L218-D220 VanDerWaalsContact C-N 3.34Å; L218-D220 PolarHBondContact O-N 3.41Å; L218-V221 PolarHBondContact O-N 3.49Å; L218-M222 WeakPolarHBondContact O-CB 3.33Å; L218-M222 PolarHBondContact O-N 3.48Å |
| 219 | Q | 91.5 | Very high | 92.1 | Very high | 18 Ų | 18 | 53.6 Ų | 53.6 | 8% | 0.084 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.7 | -39.1 | 178.6 | -63.9 | -47 | -52.8 | 0 | 0 | 111.7 | F215 Y216 M222 M223 | F215-Q219 HydrophobicContact CD1-CG 3.98Å; F215-Q219 HydrophobicContact CE1-CG 3.66Å; F215-Q219 HydrophobicContact CE2-CG 4.23Å; F215-Q219 HydrophobicContact CG-CG 4.41Å; F215-Q219 HydrophobicContact CZ-CG 3.79Å; F215-Q219 VanDerWaalsContact O-CG 3.3Å; F215-Q219 WeakPolarHBondContact O-CG 3.17Å; F215-Q219 PolarHBondContact O-N 3.46Å; Y216-Q219 PolarHBondContact O-N 3.03Å; Q219-M222 WeakPolarHBondContact O-CB 3.17Å; Q219-M222 PolarHBondContact O-N 3.09Å; Q219-M223 WeakPolarHBondContact O-CB 3.4Å; Q219-M223 VanDerWaalsContact O-CG 3.28Å; Q219-M223 WeakPolarHBondContact O-CG 3.17Å; Q219-M223 PolarHBondContact O-N 3.08Å |
| 220 | D | 92.9 | Very high | 91.7 | Very high | 36 Ų | 36 | 51.9 Ų | 51.9 | 19% | 0.193 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -64.8 | -45.7 | 178.1 | -74.4 | -14.4 | 0 | 0 | 0 | 112 | N178 R181 Y216 A217 L218 M222 E224 | N178-D220 PolarHBondContact ND2-OD1 2.93Å; R181-D220 IonicContact CZ-OD1 3.43Å; R181-D220 IonicContact CZ-OD2 2.85Å; R181-D220 IonicContact NH1-OD1 2.83Å; R181-D220 IonicContact NH1-OD2 3.24Å; R181-D220 PolarHBondContact NH1-OD2 3.04Å; R181-D220 IonicContact NH2-OD1 3.92Å; R181-D220 PolarHBondContact NH2-OD1 3.36Å; R181-D220 IonicContact NH2-OD2 3.92Å; R181-D220 PolarHBondContact NH2-OD2 3.28Å; Y216-D220 WeakPolarHBondContact O-CB 3.47Å; Y216-D220 PolarHBondContact O-N 3.15Å; A217-D220 PolarHBondContact O-N 3.44Å; L218-D220 VanDerWaalsContact C-N 3.34Å; L218-D220 PolarHBondContact O-N 3.41Å; D220-M222 VanDerWaalsContact C-N 3.29Å; D220-M222 PolarHBondContact O-N 3.01Å; D220-E224 VanDerWaalsContact O-CB 3.32Å; D220-E224 WeakPolarHBondContact O-CB 3.45Å; D220-E224 PolarHBondContact O-N 2.94Å |
| 221 | V | 91.1 | Very high | 91.5 | Very high | 80 Ų | 80 | 48 Ų | 48 | 49% | 0.485 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -61.1 | -42.1 | 174.2 | 171.9 | 0 | 0 | 0 | 0 | 110.6 | A217 L218 E224 Q225 | A217-V221 WeakPolarHBondContact O-CG2 3.33Å; A217-V221 PolarHBondContact O-N 3.08Å; A217-V221 VanDerWaalsContact O-N 3.13Å; L218-V221 PolarHBondContact O-N 3.49Å; V221-E224 PolarHBondContact O-N 3.05Å; V221-Q225 HydrophobicContact CG1-CG 4.48Å; V221-Q225 VanDerWaalsContact O-CG 3.29Å; V221-Q225 WeakPolarHBondContact O-CG 3.34Å; V221-Q225 PolarHBondContact O-N 2.74Å; V221-Q225 VanDerWaalsContact O-N 3.12Å |
| 222 | M | 87.2 | Confident | 91.4 | Very high | 5 Ų | 5 | 46.5 Ų | 46.5 | 3% | 0.025 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -62.4 | -50.9 | -179.6 | -168.6 | -178.3 | 70.6 | 0 | 0 | 112 | Y108 F111 L175 L218 Q219 D220 E224 Q225 I226 | Y108-M222 HydrophobicContact CD2-CG 4.45Å; Y108-M222 HydrophobicContact CD2-SD 4.02Å; Y108-M222 HydrophobicContact CE2-CB 3.86Å; Y108-M222 HydrophobicContact CE2-CG 3.66Å; Y108-M222 HydrophobicContact CE2-SD 3.82Å; F111-M222 HydrophobicContact CD1-CE 4.03Å; F111-M222 HydrophobicContact CD1-SD 3.72Å; F111-M222 HydrophobicContact CE1-CE 3.67Å; F111-M222 HydrophobicContact CE1-SD 3.99Å; L175-M222 HydrophobicContact CD1-CE 4.14Å; L218-M222 WeakPolarHBondContact O-CB 3.33Å; L218-M222 PolarHBondContact O-N 3.48Å; Q219-M222 WeakPolarHBondContact O-CB 3.17Å; Q219-M222 PolarHBondContact O-N 3.09Å; D220-M222 VanDerWaalsContact C-N 3.29Å; D220-M222 PolarHBondContact O-N 3.01Å; M222-E224 VanDerWaalsContact C-N 3.29Å; M222-E224 PolarHBondContact O-N 3.28Å; M222-Q225 PolarHBondContact O-N 3.5Å; M222-I226 HydrophobicContact CG-CD1 3.46Å; M222-I226 VanDerWaalsContact CG-CD1 3.46Å; M222-I226 HydrophobicContact CG-CG1 4.26Å; M222-I226 WeakPolarHBondContact O-CB 3.48Å; M222-I226 WeakPolarHBondContact O-CG1 3.45Å; M222-I226 PolarHBondContact O-N 2.7Å; M222-I226 HydrophobicContact SD-CD1 4.2Å |
| 223 | M | 88.8 | Confident | 91.3 | Very high | 27 Ų | 27 | 53.2 Ų | 53.2 | 13% | 0.133 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.5 | -38.6 | -179.4 | -71.1 | -64.9 | -69.8 | 0 | 0 | 111.5 | N178 Q219 Q225 L227 W228 | N178-M223 HydrophobicContact CB-CG 4.1Å; Q219-M223 WeakPolarHBondContact O-CB 3.4Å; Q219-M223 VanDerWaalsContact O-CG 3.28Å; Q219-M223 WeakPolarHBondContact O-CG 3.17Å; Q219-M223 PolarHBondContact O-N 3.08Å; M223-Q225 PolarHBondContact O-N 3.01Å; M223-L227 HydrophobicContact CE-CB 4.39Å; M223-L227 HydrophobicContact CE-CD2 3.45Å; M223-L227 VanDerWaalsContact CE-CD2 3.45Å; M223-L227 WeakPolarHBondContact O-CA 3.46Å; M223-L227 WeakPolarHBondContact O-CB 3.33Å; M223-L227 PolarHBondContact O-N 2.79Å; M223-W228 PolarHBondContact O-N 3.45Å |
| 224 | E | 89.3 | Confident | 91.2 | Very high | 81 Ų | 81 | 50.4 Ų | 50.4 | 38% | 0.379 | 25% | 0.253 | S | S | . | . | I | π-helix | trans | -59.5 | -45 | 174.1 | -179.6 | 59.7 | -159.2 | 0 | 0 | 112.4 | D220 V221 M222 K229 | D220-E224 VanDerWaalsContact O-CB 3.32Å; D220-E224 WeakPolarHBondContact O-CB 3.45Å; D220-E224 PolarHBondContact O-N 2.94Å; V221-E224 PolarHBondContact O-N 3.05Å; M222-E224 VanDerWaalsContact C-N 3.29Å; M222-E224 PolarHBondContact O-N 3.28Å; E224-K229 WeakPolarHBondContact O-CG 3.28Å; E224-K229 PolarHBondContact O-N 3.01Å |
| 225 | Q | 84.3 | Confident | 91.3 | Very high | 83 Ų | 83 | 45.5 Ų | 45.5 | 39% | 0.388 | 23% | 0.227 | S | C | . | . | I | π-helix | trans | -80.2 | -33.1 | -176.7 | -59.2 | -60.5 | -34.9 | 0 | 0 | 113.9 | Y112 V221 M222 M223 K229 | Y112-Q225 HydrophobicContact CE2-CB 4.43Å; V221-Q225 HydrophobicContact CG1-CG 4.48Å; V221-Q225 VanDerWaalsContact O-CG 3.29Å; V221-Q225 WeakPolarHBondContact O-CG 3.34Å; V221-Q225 PolarHBondContact O-N 2.74Å; V221-Q225 VanDerWaalsContact O-N 3.12Å; M222-Q225 PolarHBondContact O-N 3.5Å; M223-Q225 PolarHBondContact O-N 3.01Å; Q225-K229 VanDerWaalsContact NE2-NZ 3.16Å |
| 226 | I | 81.6 | Confident | 91.4 | Very high | 18 Ų | 18 | 44.7 Ų | 44.7 | 9% | 0.092 | 23% | 0.228 | C | C | . | . | I | π-helix | trans | -86.8 | -44.2 | -175.8 | -65.6 | 178.6 | 0 | 0 | 0 | 111.4 | Y112 M115 M222 | Y112-I226 HydrophobicContact CD2-CD1 3.63Å; Y112-I226 HydrophobicContact CD2-CG1 3.33Å; Y112-I226 HydrophobicContact CE2-CD1 4.41Å; Y112-I226 HydrophobicContact CE2-CG1 3.61Å; Y112-I226 HydrophobicContact CG-CD1 4.29Å; Y112-I226 HydrophobicContact CG-CG1 4.33Å; M115-I226 HydrophobicContact CB-CD1 4.27Å; M115-I226 HydrophobicContact CB-CG2 3.5Å; M115-I226 VanDerWaalsContact CB-CG2 3.5Å; M115-I226 HydrophobicContact CG-CG2 4.33Å; M222-I226 HydrophobicContact CG-CD1 3.46Å; M222-I226 VanDerWaalsContact CG-CD1 3.46Å; M222-I226 HydrophobicContact CG-CG1 4.26Å; M222-I226 WeakPolarHBondContact O-CB 3.48Å; M222-I226 WeakPolarHBondContact O-CG1 3.45Å; M222-I226 PolarHBondContact O-N 2.7Å; M222-I226 HydrophobicContact SD-CD1 4.2Å |
| 227 | L | 84.3 | Confident | 91.5 | Very high | 43 Ų | 43 | 50 Ų | 50 | 23% | 0.225 | 25% | 0.253 | C | S | . | . | I | π-helix | trans | -110.7 | -63.1 | -165.3 | -169 | 71.2 | 0 | 0 | 0 | 111.5 | M223 K229 E230 I231 | M223-L227 HydrophobicContact CE-CB 4.39Å; M223-L227 HydrophobicContact CE-CD2 3.45Å; M223-L227 VanDerWaalsContact CE-CD2 3.45Å; M223-L227 WeakPolarHBondContact O-CA 3.46Å; M223-L227 WeakPolarHBondContact O-CB 3.33Å; M223-L227 PolarHBondContact O-N 2.79Å; L227-K229 PolarHBondContact O-N 3.29Å; L227-E230 PolarHBondContact O-N 3.26Å; L227-I231 HydrophobicContact CD1-CD1 3.33Å; L227-I231 HydrophobicContact CD1-CG1 4.08Å; L227-I231 HydrophobicContact CD2-CD1 4.43Å; L227-I231 HydrophobicContact CG-CD1 3.67Å; L227-I231 HydrophobicContact CG-CG1 4.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.14Å; L227-I231 PolarHBondContact O-N 3.4Å |
| 228 | W | 90.4 | Very high | 91.6 | Very high | 14 Ų | 14 | 49.8 Ų | 49.8 | 5% | 0.053 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -63.3 | -47.4 | -163.6 | -63 | 134 | 0 | 0 | 0 | 113.7 | N178 L179 C183 M223 E230 I231 D232 A245 C246 M249 | N178-W228 PolarHBondContact OD1-NE1 3.29Å; L179-W228 HydrophobicContact CD2-CH2 3.46Å; L179-W228 VanDerWaalsContact CD2-CH2 3.46Å; L179-W228 HydrophobicContact CD2-CZ2 3.41Å; L179-W228 VanDerWaalsContact CD2-CZ2 3.41Å; C183-W228 VanDerWaalsContact SG-CZ2 3.58Å; M223-W228 PolarHBondContact O-N 3.45Å; W228-E230 VanDerWaalsContact C-N 3.28Å; W228-E230 PolarHBondContact O-N 3Å; W228-I231 PolarHBondContact O-N 3.5Å; W228-D232 WeakPolarHBondContact O-CB 3.43Å; W228-D232 PolarHBondContact O-N 3.38Å; W228-A245 HydrophobicContact CE3-CB 4.18Å; W228-A245 HydrophobicContact CZ3-CB 4.02Å; W228-C246 HydrophobicContact CD2-CB 4.41Å; W228-C246 HydrophobicContact CE3-CB 4.27Å; W228-C246 HydrophobicContact CH2-CB 4.23Å; W228-C246 HydrophobicContact CZ2-CB 4.33Å; W228-C246 HydrophobicContact CZ3-CB 4.21Å; W228-M249 HydrophobicContact CH2-CE 4.05Å |
| 229 | K | 90.8 | Very high | 91.8 | Very high | 93 Ų | 93 | 50.8 Ų | 50.8 | 40% | 0.404 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -56.1 | -40.9 | 179.4 | -75.4 | 177.2 | 179.2 | -177.8 | 0 | 114.1 | E224 Q225 L227 K233 | E224-K229 WeakPolarHBondContact O-CG 3.28Å; E224-K229 PolarHBondContact O-N 3.01Å; Q225-K229 VanDerWaalsContact NE2-NZ 3.16Å; L227-K229 PolarHBondContact O-N 3.29Å; K229-K233 WeakPolarHBondContact O-CB 3.39Å; K229-K233 PolarHBondContact O-N 3.45Å |
| 230 | E | 90.5 | Very high | 92.1 | Very high | 66 Ų | 66 | 53.1 Ų | 53.1 | 31% | 0.308 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -79.9 | -40.6 | -175.7 | -63.9 | -71.9 | 124.2 | 0 | 0 | 110.9 | K119 F123 L227 W228 K233 Y234 | K119-E230 IonicContact NZ-OE2 2.66Å; K119-E230 PolarHBondContact NZ-OE2 3.02Å; F123-E230 HydrophobicContact CE2-CB 4.38Å; F123-E230 HydrophobicContact CZ-CB 3.99Å; L227-E230 PolarHBondContact O-N 3.26Å; W228-E230 VanDerWaalsContact C-N 3.28Å; W228-E230 PolarHBondContact O-N 3Å; E230-K233 PolarHBondContact O-N 3.14Å; E230-Y234 PolarHBondContact O-N 2.86Å |
| 231 | I | 93.2 | Very high | 92.3 | Very high | 6 Ų | 6 | 55.2 Ų | 55.2 | 3% | 0.031 | 29% | 0.285 | C | S | . | . | H | α-helix | trans | -67.1 | -42.6 | 175.8 | -63.3 | -168.8 | 0 | 0 | 0 | 110.7 | F123 S154 L227 W228 K233 Y234 Y235 A245 | F123-I231 HydrophobicContact CE1-CG1 4.18Å; F123-I231 HydrophobicContact CZ-CG1 4.4Å; S154-I231 VanDerWaalsContact OG-CD1 3.31Å; S154-I231 WeakPolarHBondContact OG-CD1 3.41Å; L227-I231 HydrophobicContact CD1-CD1 3.33Å; L227-I231 HydrophobicContact CD1-CG1 4.08Å; L227-I231 HydrophobicContact CD2-CD1 4.43Å; L227-I231 HydrophobicContact CG-CD1 3.67Å; L227-I231 HydrophobicContact CG-CG1 4.32Å; L227-I231 WeakPolarHBondContact O-CG1 3.14Å; L227-I231 PolarHBondContact O-N 3.4Å; W228-I231 PolarHBondContact O-N 3.5Å; I231-K233 VanDerWaalsContact C-N 3.27Å; I231-K233 PolarHBondContact O-N 3.42Å; I231-Y234 CarbonylContact O-C 3.59Å; I231-Y234 PolarHBondContact O-N 2.83Å; I231-Y234 VanDerWaalsContact O-N 3.11Å; I231-Y235 HydrophobicContact CG2-CD1 3.49Å; I231-Y235 VanDerWaalsContact CG2-CD1 3.49Å; I231-Y235 HydrophobicContact CG2-CD2 4.47Å; I231-Y235 HydrophobicContact CG2-CE1 3.3Å; I231-Y235 HydrophobicContact CG2-CE2 4.27Å; I231-Y235 HydrophobicContact CG2-CG 4.14Å; I231-Y235 WeakPolarHBondContact O-CB 3.25Å; I231-Y235 VanDerWaalsContact O-CD1 3.27Å; I231-Y235 WeakPolarHBondContact O-CD1 3.44Å; I231-Y235 PolarHBondContact O-N 2.9Å; I231-A245 HydrophobicContact CB-CB 4.29Å; I231-A245 HydrophobicContact CG2-CB 3.42Å; I231-A245 VanDerWaalsContact CG2-CB 3.42Å |
| 232 | D | 95.6 | Very high | 92.6 | Very high | 38 Ų | 38 | 57.6 Ų | 57.6 | 20% | 0.203 | 30% | 0.303 | C | S | . | . | H | α-helix | trans | -61 | -39 | 177.2 | -75.5 | 10.2 | 0 | 0 | 0 | 111.1 | W228 S236 S244 A245 | W228-D232 WeakPolarHBondContact O-CB 3.43Å; W228-D232 PolarHBondContact O-N 3.38Å; D232-S236 WeakPolarHBondContact O-CB 3.44Å; D232-S236 PolarHBondContact O-N 2.9Å; D232-S236 PolarHBondContact O-OG 2.83Å; D232-S244 WeakPolarHBondContact OD1-CA 3.09Å; D232-S244 PolarHBondContact OD2-OG 2.87Å; D232-A245 WeakPolarHBondContact OD1-CB 3.33Å; D232-A245 PolarHBondContact OD1-N 3.05Å |
| 233 | K | 95.5 | Very high | 93 | Very high | 140 Ų | 140 | 58.2 Ų | 58.2 | 61% | 0.609 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -61.3 | -48.7 | 172.6 | -178 | -176.9 | 175.3 | -172.9 | 0 | 111.4 | K229 E230 I231 S236 E237 | K229-K233 WeakPolarHBondContact O-CB 3.39Å; K229-K233 PolarHBondContact O-N 3.45Å; E230-K233 PolarHBondContact O-N 3.14Å; I231-K233 VanDerWaalsContact C-N 3.27Å; I231-K233 PolarHBondContact O-N 3.42Å; K233-S236 PolarHBondContact O-N 2.92Å; K233-E237 PolarHBondContact O-N 3.33Å |
| 234 | Y | 95.6 | Very high | 93.3 | Very high | 12 Ų | 12 | 58.2 Ų | 58.2 | 5% | 0.047 | 31% | 0.309 | C | S | . | . | H | α-helix | trans | -62 | -46.3 | 178.3 | -177.8 | -82.8 | 0 | 0 | 0 | 111.6 | F123 L126 D127 V130 L158 E230 I231 S236 E237 I238 | F123-Y234 HydrophobicContact CB-CD2 4.21Å; F123-Y234 HydrophobicContact CB-CE2 4.05Å; F123-Y234 HydrophobicContact CD1-CD1 4.27Å; F123-Y234 AromaticContact CD1-CD2 3.41Å; F123-Y234 HydrophobicContact CD1-CD2 3.41Å; F123-Y234 VanDerWaalsContact CD1-CD2 3.41Å; F123-Y234 AromaticContact CD1-CE2 3.91Å; F123-Y234 HydrophobicContact CD1-CE2 3.91Å; F123-Y234 AromaticContact CD1-CG 3.62Å; F123-Y234 HydrophobicContact CD1-CG 3.62Å; F123-Y234 HydrophobicContact CE1-CD1 4.47Å; F123-Y234 AromaticContact CE1-CD2 3.93Å; F123-Y234 HydrophobicContact CE1-CD2 3.93Å; F123-Y234 AromaticContact CE1-CG 3.74Å; F123-Y234 HydrophobicContact CE1-CG 3.74Å; F123-Y234 AromaticContact CG-CD2 3.87Å; F123-Y234 HydrophobicContact CG-CD2 3.87Å; F123-Y234 HydrophobicContact CG-CE2 4.22Å; L126-Y234 HydrophobicContact CB-CE1 3.87Å; L126-Y234 WeakPolarHBondContact CB-OH 3.43Å; L126-Y234 HydrophobicContact CD1-CD1 4.13Å; L126-Y234 HydrophobicContact CD1-CE1 3.89Å; L126-Y234 HydrophobicContact CG-CE1 4.39Å; D127-Y234 PolarHBondContact N-OH 3.21Å; D127-Y234 VanDerWaalsContact OD1-CE2 3.26Å; D127-Y234 WeakPolarHBondContact OD1-CE2 3.44Å; D127-Y234 VanDerWaalsContact OD1-CZ 3.28Å; D127-Y234 PolarHBondContact OD1-OH 3.23Å; V130-Y234 HydrophobicContact CG2-CE1 4.02Å; V130-Y234 VanDerWaalsContact CG2-OH 3.27Å; V130-Y234 WeakPolarHBondContact CG2-OH 3.21Å; L158-Y234 HydrophobicContact CD2-CE1 4.47Å; E230-Y234 PolarHBondContact O-N 2.86Å; I231-Y234 CarbonylContact O-C 3.59Å; I231-Y234 PolarHBondContact O-N 2.83Å; I231-Y234 VanDerWaalsContact O-N 3.11Å; Y234-S236 VanDerWaalsContact C-N 3.3Å; Y234-S236 PolarHBondContact O-N 3.37Å; Y234-E237 WeakPolarHBondContact O-CB 3.46Å; Y234-E237 PolarHBondContact O-N 2.85Å; Y234-E237 VanDerWaalsContact O-N 3.15Å; Y234-I238 HydrophobicContact CD1-CG1 3.96Å; Y234-I238 HydrophobicContact CE1-CD1 4.12Å; Y234-I238 HydrophobicContact CE1-CG1 3.57Å; Y234-I238 WeakPolarHBondContact O-CG1 3.39Å; Y234-I238 PolarHBondContact O-N 3.4Å |
| 235 | Y | 97.3 | Very high | 93.6 | Very high | 2 Ų | 2 | 54.4 Ų | 54.4 | 1% | 0.008 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -62.5 | -41.2 | 179.6 | -81.4 | 33.3 | 0 | 0 | 0 | 110.4 | G155 D157 L158 I231 E237 I238 R239 A245 L248 | G155-Y235 PolarHBondContact N-OH 3.16Å; G155-Y235 VanDerWaalsContact N-OH 3.15Å; D157-Y235 PolarHBondContact OD1-OH 3.27Å; D157-Y235 WeakPolarHBondContact OD2-CE2 3.35Å; L158-Y235 HydrophobicContact CB-CD2 4.17Å; L158-Y235 HydrophobicContact CB-CE1 4.17Å; L158-Y235 HydrophobicContact CB-CE2 3.68Å; L158-Y235 HydrophobicContact CD1-CD2 4.19Å; L158-Y235 HydrophobicContact CD1-CG 4.32Å; L158-Y235 HydrophobicContact CD2-CD1 3.81Å; L158-Y235 HydrophobicContact CD2-CD2 4.46Å; L158-Y235 HydrophobicContact CD2-CE1 3.82Å; L158-Y235 HydrophobicContact CD2-CG 4.1Å; L158-Y235 HydrophobicContact CG-CE2 4.46Å; I231-Y235 HydrophobicContact CG2-CD1 3.49Å; I231-Y235 VanDerWaalsContact CG2-CD1 3.49Å; I231-Y235 HydrophobicContact CG2-CD2 4.47Å; I231-Y235 HydrophobicContact CG2-CE1 3.3Å; I231-Y235 HydrophobicContact CG2-CE2 4.27Å; I231-Y235 HydrophobicContact CG2-CG 4.14Å; I231-Y235 WeakPolarHBondContact O-CB 3.25Å; I231-Y235 VanDerWaalsContact O-CD1 3.27Å; I231-Y235 WeakPolarHBondContact O-CD1 3.44Å; I231-Y235 PolarHBondContact O-N 2.9Å; Y235-E237 VanDerWaalsContact C-N 3.34Å; Y235-E237 PolarHBondContact O-N 2.71Å; Y235-I238 PolarHBondContact O-N 3.42Å; Y235-R239 WeakPolarHBondContact O-CB 3.24Å; Y235-R239 VanDerWaalsContact O-CG 3.27Å; Y235-R239 WeakPolarHBondContact O-CG 3.2Å; Y235-R239 PolarHBondContact O-N 3.25Å; Y235-A245 HydrophobicContact CD2-CB 3.61Å; Y235-A245 HydrophobicContact CE2-CB 3.49Å; Y235-A245 VanDerWaalsContact CE2-CB 3.49Å; Y235-A245 HydrophobicContact CG-CB 4.24Å; Y235-L248 HydrophobicContact CD2-CD1 3.76Å; Y235-L248 HydrophobicContact CE2-CD1 4.04Å |
| 236 | S | 97.9 | Very high | 94.1 | Very high | 31 Ų | 31 | 51.5 Ų | 51.5 | 22% | 0.217 | 28% | 0.28 | C | S | . | . | H | α-helix | trans | -63.9 | -37.7 | 175.6 | -59.2 | 0 | 0 | 0 | 0 | 112.6 | D232 K233 Y234 G240 T241 T243 | D232-S236 WeakPolarHBondContact O-CB 3.44Å; D232-S236 PolarHBondContact O-N 2.9Å; D232-S236 PolarHBondContact O-OG 2.83Å; K233-S236 PolarHBondContact O-N 2.92Å; Y234-S236 VanDerWaalsContact C-N 3.3Å; Y234-S236 PolarHBondContact O-N 3.37Å; S236-G240 WeakPolarHBondContact O-CA 3.18Å; S236-G240 PolarHBondContact O-N 2.87Å; S236-T241 VanDerWaalsContact CA-O 3.28Å; S236-T241 WeakPolarHBondContact CA-O 3.36Å; S236-T241 PolarHBondContact O-N 2.95Å; S236-T243 PolarHBondContact OG-N 2.84Å; S236-T243 PolarHBondContact OG-O 3.44Å |
| 237 | E | 97.3 | Very high | 94.8 | Very high | 124 Ų | 124 | 57.2 Ų | 57.2 | 58% | 0.579 | 31% | 0.306 | S | S | * | . | H | α-helix | trans | -63 | -48.3 | 174.5 | -175.7 | -175.3 | 146.1 | 0 | 0 | 111.2 | K131 K233 Y234 Y235 R239 G240 | K131-E237 IonicContact NZ-OE1 3.42Å; K233-E237 PolarHBondContact O-N 3.33Å; Y234-E237 WeakPolarHBondContact O-CB 3.46Å; Y234-E237 PolarHBondContact O-N 2.85Å; Y234-E237 VanDerWaalsContact O-N 3.15Å; Y235-E237 VanDerWaalsContact C-N 3.34Å; Y235-E237 PolarHBondContact O-N 2.71Å; E237-R239 VanDerWaalsContact C-N 3.34Å; E237-R239 PolarHBondContact O-N 2.58Å; E237-G240 PolarHBondContact O-N 3.41Å |
| 238 | I | 97.1 | Very high | 95.3 | Very high | 47 Ų | 47 | 55.5 Ų | 55.5 | 24% | 0.241 | 30% | 0.298 | C | S | . | . | H | α-helix | trans | -63.6 | -40 | 179.1 | -63.1 | -60.9 | 0 | 0 | 0 | 111.8 | V130 K131 L158 I162 Y234 Y235 | V130-I238 HydrophobicContact CG2-CD1 3.97Å; V130-I238 HydrophobicContact CG2-CG1 4.17Å; K131-I238 HydrophobicContact CD-CD1 4.18Å; K131-I238 VanDerWaalsContact CE-CD1 3.48Å; K131-I238 HydrophobicContact CG-CD1 3.65Å; L158-I238 HydrophobicContact CD2-CB 4.33Å; L158-I238 HydrophobicContact CD2-CG1 4.38Å; L158-I238 HydrophobicContact CD2-CG2 4.18Å; I162-I238 HydrophobicContact CD1-CG2 3.98Å; Y234-I238 HydrophobicContact CD1-CG1 3.96Å; Y234-I238 HydrophobicContact CE1-CD1 4.12Å; Y234-I238 HydrophobicContact CE1-CG1 3.57Å; Y234-I238 WeakPolarHBondContact O-CG1 3.39Å; Y234-I238 PolarHBondContact O-N 3.4Å; Y235-I238 PolarHBondContact O-N 3.42Å |
| 239 | R | 96.3 | Very high | 95.6 | Very high | 102 Ų | 102 | 55.3 Ų | 55.3 | 39% | 0.385 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -82.3 | -21.8 | -178.1 | -65.2 | -61.7 | -65 | 178.6 | -13.6 | 113.5 | L158 D161 Y235 E237 T241 T243 | L158-R239 HydrophobicContact CD1-CG 3.99Å; D161-R239 IonicContact OD2-CZ 3.48Å; D161-R239 IonicContact OD2-NE 2.7Å; D161-R239 PolarHBondContact OD2-NE 2.77Å; D161-R239 IonicContact OD2-NH1 2.74Å; D161-R239 IonicContact OD2-NH2 3.88Å; D161-R239 PolarHBondContact OD2-NH2 3.11Å; Y235-R239 WeakPolarHBondContact O-CB 3.24Å; Y235-R239 VanDerWaalsContact O-CG 3.27Å; Y235-R239 WeakPolarHBondContact O-CG 3.2Å; Y235-R239 PolarHBondContact O-N 3.25Å; E237-R239 VanDerWaalsContact C-N 3.34Å; E237-R239 PolarHBondContact O-N 2.58Å; R239-T241 PolarHBondContact O-N 2.77Å; R239-T243 WeakPolarHBondContact CB-OG1 3.5Å; R239-T243 HydrophobicContact CG-CG2 4.19Å |
| 240 | G | 96.8 | Very high | 95.9 | Very high | 67 Ų | 67 | 51 Ų | 51 | 69% | 0.691 | 28% | 0.279 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 72.8 | 8.6 | -172.3 | 0 | 0 | 0 | 0 | 0 | 114.1 | S236 E237 | S236-G240 WeakPolarHBondContact O-CA 3.18Å; S236-G240 PolarHBondContact O-N 2.87Å; E237-G240 PolarHBondContact O-N 3.41Å |
| 241 | T | 96.6 | Very high | 96.1 | Very high | 80 Ų | 80 | 53 Ų | 53 | 49% | 0.491 | 29% | 0.287 | S | S | . | . | S | Bend | trans | -142.6 | 151.4 | 179.4 | 57.3 | 0 | 0 | 0 | 0 | 110.2 | S236 R239 T243 | S236-T241 VanDerWaalsContact CA-O 3.28Å; S236-T241 WeakPolarHBondContact CA-O 3.36Å; S236-T241 PolarHBondContact O-N 2.95Å; R239-T241 PolarHBondContact O-N 2.77Å; T241-T243 PolarHBondContact O-N 2.9Å; T241-T243 VanDerWaalsContact O-N 3.09Å; T241-T243 PolarHBondContact O-OG1 3.17Å |
| 242 | P | 97.4 | Very high | 96.3 | Very high | 130 Ų | 130 | 52.7 Ų | 52.7 | 84% | 0.844 | 29% | 0.285 | S | S | * | . | trans | -50.9 | 119.7 | 174.2 | -26 | 35 | 0 | 0 | 0 | 111.2 | ||||
| 243 | T | 96.8 | Very high | 96.5 | Very high | 19 Ų | 19 | 51.4 Ų | 51.4 | 12% | 0.117 | 28% | 0.279 | C | S | . | . | trans | -140 | 120.9 | -173.3 | -57.2 | 0 | 0 | 0 | 0 | 109.2 | S236 R239 T241 L248 | S236-T243 PolarHBondContact OG-N 2.84Å; S236-T243 PolarHBondContact OG-O 3.44Å; R239-T243 WeakPolarHBondContact CB-OG1 3.5Å; R239-T243 HydrophobicContact CG-CG2 4.19Å; T241-T243 PolarHBondContact O-N 2.9Å; T241-T243 VanDerWaalsContact O-N 3.09Å; T241-T243 PolarHBondContact O-OG1 3.17Å; T243-L248 HydrophobicContact CG2-CD1 3.68Å; T243-L248 HydrophobicContact CG2-CD2 4.27Å; T243-L248 HydrophobicContact CG2-CG 3.86Å | ||
| 244 | S | 95.8 | Very high | 96.6 | Very high | 26 Ų | 26 | 44.8 Ų | 44.8 | 18% | 0.182 | 25% | 0.25 | C | C | . | . | trans | -90.2 | 129.3 | 173.1 | -178.9 | 0 | 0 | 0 | 0 | 111.3 | D232 C246 E247 L248 | D232-S244 WeakPolarHBondContact OD1-CA 3.09Å; D232-S244 PolarHBondContact OD2-OG 2.87Å; S244-C246 VanDerWaalsContact C-N 3.35Å; S244-C246 PolarHBondContact OG-N 3.49Å; S244-E247 PolarHBondContact O-N 3.48Å; S244-L248 WeakPolarHBondContact O-CG 3.48Å; S244-L248 PolarHBondContact O-N 3.47Å | ||
| 245 | A | 95.3 | Very high | 96.7 | Very high | 1 Ų | 1 | 44.2 Ų | 44.2 | 1% | 0.008 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -65.5 | -39.2 | 175.1 | 0 | 0 | 0 | 0 | 0 | 111.7 | W228 I231 D232 Y235 E247 L248 M249 | W228-A245 HydrophobicContact CE3-CB 4.18Å; W228-A245 HydrophobicContact CZ3-CB 4.02Å; I231-A245 HydrophobicContact CB-CB 4.29Å; I231-A245 HydrophobicContact CG2-CB 3.42Å; I231-A245 VanDerWaalsContact CG2-CB 3.42Å; D232-A245 WeakPolarHBondContact OD1-CB 3.33Å; D232-A245 PolarHBondContact OD1-N 3.05Å; Y235-A245 HydrophobicContact CD2-CB 3.61Å; Y235-A245 HydrophobicContact CE2-CB 3.49Å; Y235-A245 VanDerWaalsContact CE2-CB 3.49Å; Y235-A245 HydrophobicContact CG-CB 4.24Å; A245-E247 VanDerWaalsContact C-N 3.31Å; A245-E247 PolarHBondContact O-N 2.93Å; A245-L248 PolarHBondContact O-N 3.04Å; A245-M249 WeakPolarHBondContact O-CB 3.27Å; A245-M249 PolarHBondContact O-N 3.4Å |
| 246 | C | 94.9 | Very high | 96.8 | Very high | 22 Ų | 22 | 44.2 Ų | 44.2 | 15% | 0.149 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -64.7 | -37.8 | 176.9 | -170.6 | 0 | 0 | 0 | 0 | 111.5 | C183 W228 S244 G250 | C183-C246 WeakPolarHBondContact CA-SG 3.37Å; C183-C246 HydrophobicContact CB-CB 4.14Å; C183-C246 VanDerWaalsContact CB-O 3.3Å; C183-C246 WeakPolarHBondContact CB-O 3.21Å; C183-C246 WeakPolarHBondContact CB-SG 3.27Å; C183-C246 PolarHBondContact N-SG 3Å; C183-C246 VanDerWaalsContact N-SG 3.43Å; C183-C246 WeakPolarHBondContact SG-CA 3.12Å; C183-C246 WeakPolarHBondContact SG-CB 3.27Å; C183-C246 CovalentContact SG-SG 2.05Å; C183-C246 PolarHBondContact SG-SG 3.34Å; W228-C246 HydrophobicContact CD2-CB 4.41Å; W228-C246 HydrophobicContact CE3-CB 4.27Å; W228-C246 HydrophobicContact CH2-CB 4.23Å; W228-C246 HydrophobicContact CZ2-CB 4.33Å; W228-C246 HydrophobicContact CZ3-CB 4.21Å; S244-C246 VanDerWaalsContact C-N 3.35Å; S244-C246 PolarHBondContact OG-N 3.49Å; C246-G250 PolarHBondContact O-N 2.89Å |
| 247 | E | 94.7 | Very high | 96.8 | Very high | 138 Ų | 138 | 42.9 Ų | 42.9 | 65% | 0.645 | 24% | 0.238 | S | C | * | . | H | α-helix | trans | -66.1 | -43.7 | 172.9 | -69 | 179.9 | 174.4 | 0 | 0 | 112.3 | S244 A245 G250 K251 | S244-E247 PolarHBondContact O-N 3.48Å; A245-E247 VanDerWaalsContact C-N 3.31Å; A245-E247 PolarHBondContact O-N 2.93Å; E247-G250 CarbonylContact O-C 3.59Å; E247-G250 PolarHBondContact O-N 3.19Å; E247-K251 WeakPolarHBondContact O-CG 3.32Å; E247-K251 PolarHBondContact O-N 2.87Å |
| 248 | L | 96.1 | Very high | 96.7 | Very high | 8 Ų | 8 | 37.6 Ų | 37.6 | 4% | 0.042 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -61.2 | -46.2 | 175.8 | -71.2 | -165.4 | 0 | 0 | 0 | 111.7 | D157 L158 D161 Y235 T243 S244 A245 G250 K251 | D157-L248 HydrophobicContact CB-CB 4.36Å; L158-L248 HydrophobicContact CB-CD1 4.49Å; L158-L248 HydrophobicContact CD1-CD1 3.98Å; D161-L248 HydrophobicContact CB-CD1 4.23Å; D161-L248 HydrophobicContact CB-CD2 4.24Å; Y235-L248 HydrophobicContact CD2-CD1 3.76Å; Y235-L248 HydrophobicContact CE2-CD1 4.04Å; T243-L248 HydrophobicContact CG2-CD1 3.68Å; T243-L248 HydrophobicContact CG2-CD2 4.27Å; T243-L248 HydrophobicContact CG2-CG 3.86Å; S244-L248 WeakPolarHBondContact O-CG 3.48Å; S244-L248 PolarHBondContact O-N 3.47Å; A245-L248 PolarHBondContact O-N 3.04Å; L248-G250 VanDerWaalsContact C-N 3.29Å; L248-G250 PolarHBondContact O-N 3.2Å; L248-K251 HydrophobicContact CD2-CD 4.07Å; L248-K251 VanDerWaalsContact O-CB 3.25Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.18Å |
| 249 | M | 96.8 | Very high | 96.6 | Very high | 9 Ų | 9 | 35.8 Ų | 35.8 | 4% | 0.044 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -59.6 | -41.1 | 174.7 | -171.6 | -176 | -63.7 | 0 | 0 | 111.4 | P151 D157 L169 L179 C183 W228 A245 K251 A252 W255 | P151-M249 HydrophobicContact CB-CE 3.79Å; P151-M249 HydrophobicContact CB-CG 4.37Å; P151-M249 HydrophobicContact CB-SD 3.85Å; D157-M249 HydrophobicContact CB-CB 4.47Å; L169-M249 HydrophobicContact CD1-CG 3.7Å; L179-M249 HydrophobicContact CB-SD 4.14Å; L179-M249 HydrophobicContact CD1-CE 4.45Å; L179-M249 HydrophobicContact CD1-SD 4.24Å; L179-M249 HydrophobicContact CD2-CE 4.18Å; L179-M249 HydrophobicContact CD2-SD 4.02Å; L179-M249 HydrophobicContact CG-SD 4.35Å; C183-M249 HydrophobicContact CB-CB 4.24Å; C183-M249 HydrophobicContact CB-CG 4.36Å; C183-M249 HydrophobicContact CB-SD 4.15Å; W228-M249 HydrophobicContact CH2-CE 4.05Å; A245-M249 WeakPolarHBondContact O-CB 3.27Å; A245-M249 PolarHBondContact O-N 3.4Å; M249-K251 PolarHBondContact O-N 3.29Å; M249-K251 VanDerWaalsContact O-N 3.15Å; M249-A252 VanDerWaalsContact O-CB 3.27Å; M249-A252 WeakPolarHBondContact O-CB 3.38Å; M249-A252 PolarHBondContact O-N 3.18Å; M249-W255 HydrophobicContact CG-CH2 3.65Å; M249-W255 HydrophobicContact CG-CZ2 4.01Å; M249-W255 HydrophobicContact SD-CH2 3.77Å |
| 250 | G | 95.8 | Very high | 96.6 | Very high | 2 Ų | 2 | 33 Ų | 33 | 2% | 0.021 | 19% | 0.194 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.3 | -10.9 | 173.8 | 0 | 0 | 0 | 0 | 0 | 114.7 | C183 C246 E247 L248 A252 K476 H480 | C183-G250 WeakPolarHBondContact O-CA 3.36Å; C246-G250 PolarHBondContact O-N 2.89Å; E247-G250 CarbonylContact O-C 3.59Å; E247-G250 PolarHBondContact O-N 3.19Å; L248-G250 VanDerWaalsContact C-N 3.29Å; L248-G250 PolarHBondContact O-N 3.2Å; G250-A252 VanDerWaalsContact C-N 3.29Å; G250-K476 WeakPolarHBondContact O-CE 3.07Å; G250-K476 PolarHBondContact O-NZ 2.94Å; G250-H480 PolarHBondContact O-CE1 3.29Å |
| 251 | K | 95.3 | Very high | 96.6 | Very high | 108 Ų | 108 | 33 Ų | 33 | 47% | 0.47 | 17% | 0.173 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -78.7 | -9.2 | 170.4 | -65 | 174.5 | -174.7 | 173.1 | 0 | 113.7 | D161 E247 L248 M249 D253 | D161-K251 IonicContact OD1-NZ 3.72Å; D161-K251 PolarHBondContact OD1-NZ 3.39Å; E247-K251 WeakPolarHBondContact O-CG 3.32Å; E247-K251 PolarHBondContact O-N 2.87Å; L248-K251 HydrophobicContact CD2-CD 4.07Å; L248-K251 VanDerWaalsContact O-CB 3.25Å; L248-K251 WeakPolarHBondContact O-CB 3.47Å; L248-K251 PolarHBondContact O-N 3.18Å; M249-K251 PolarHBondContact O-N 3.29Å; M249-K251 VanDerWaalsContact O-N 3.15Å; K251-D253 PolarHBondContact O-N 3.49Å |
| 252 | A | 97.9 | Very high | 96.5 | Very high | 0 Ų | 0 | 29.2 Ų | 29.2 | 0% | 0 | 15% | 0.15 | C | C | . | . | trans | -50.2 | 133 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.3 | L167 L169 M249 G250 W255 | L167-A252 HydrophobicContact CD2-CB 3.92Å; L167-A252 HydrophobicContact CG-CB 4.07Å; L169-A252 HydrophobicContact CD1-CB 3.58Å; L169-A252 HydrophobicContact CG-CB 3.77Å; M249-A252 VanDerWaalsContact O-CB 3.27Å; M249-A252 WeakPolarHBondContact O-CB 3.38Å; M249-A252 PolarHBondContact O-N 3.18Å; G250-A252 VanDerWaalsContact C-N 3.29Å; A252-W255 HydrophobicContact CB-CZ2 4.44Å | ||
| 253 | D | 98.3 | Very high | 96.4 | Very high | 12 Ų | 12 | 23.3 Ų | 23.3 | 6% | 0.064 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -73.5 | -41 | -176.9 | -68.4 | -75.9 | 0 | 0 | 0 | 111.2 | P166 L167 K251 N272 T466 G471 A472 | P166-D253 VanDerWaalsContact CA-OD2 3.22Å; P166-D253 WeakPolarHBondContact CA-OD2 3.36Å; P166-D253 VanDerWaalsContact CB-OD2 3.32Å; P166-D253 WeakPolarHBondContact CB-OD2 3.3Å; L167-D253 PolarHBondContact N-OD2 3.31Å; L167-D253 PolarHBondContact O-N 3.11Å; K251-D253 PolarHBondContact O-N 3.49Å; D253-N272 WeakPolarHBondContact O-CB 3.41Å; D253-T466 HydrophobicContact CB-CG2 3.79Å; D253-G471 WeakPolarHBondContact OD1-CA 3.28Å; D253-A472 HydrophobicContact CB-CB 3.91Å; D253-A472 PolarHBondContact OD1-N 3.06Å |
| 254 | I | 98.6 | Very high | 96.4 | Very high | 0 Ų | 0 | 23.7 Ų | 23.7 | 0% | 0 | 11% | 0.112 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -137 | 139.3 | 177 | -63.9 | -65.9 | 0 | 0 | 0 | 110.2 | V168 L169 L256 N272 K274 W462 T466 A472 L475 | V168-I254 WeakPolarHBondContact CA-O 3.41Å; V168-I254 HydrophobicContact CG1-CB 4.19Å; V168-I254 HydrophobicContact CG1-CG2 4.3Å; V168-I254 HydrophobicContact CG2-CB 4.33Å; L169-I254 PolarHBondContact N-O 3.27Å; I254-L256 HydrophobicContact CG2-CD2 3.69Å; I254-L256 HydrophobicContact CG2-CG 4.11Å; I254-N272 WeakPolarHBondContact CA-O 3.46Å; I254-N272 HydrophobicContact CD1-CB 4.31Å; I254-K274 HydrophobicContact CG2-CG 4.12Å; I254-W462 HydrophobicContact CD1-CD2 4.33Å; I254-W462 HydrophobicContact CD1-CE3 3.62Å; I254-W462 HydrophobicContact CD1-CZ3 4.14Å; I254-W462 HydrophobicContact CG1-CB 4.48Å; I254-W462 HydrophobicContact CG1-CE3 4.3Å; I254-W462 HydrophobicContact CG2-CB 4.09Å; I254-T466 WeakPolarHBondContact CG1-OG1 3.45Å; I254-A472 HydrophobicContact CD1-CB 4.29Å; I254-A472 HydrophobicContact CG1-CB 4.46Å; I254-L475 HydrophobicContact CD1-CD1 4.01Å |
| 255 | W | 98.6 | Very high | 96.4 | Very high | 1 Ų | 1 | 23.1 Ų | 23.1 | 0% | 0.004 | 11% | 0.106 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -108.5 | 108.4 | 168.2 | -67.9 | 76.9 | 0 | 0 | 0 | 109.6 | P151 L169 L171 M249 A252 M257 N272 F273 K274 | P151-W255 HydrophobicContact CG-CZ3 4.21Å; L169-W255 HydrophobicContact CB-CD2 4.3Å; L169-W255 HydrophobicContact CB-CE3 4.1Å; L169-W255 HydrophobicContact CB-CZ3 4.49Å; L169-W255 HydrophobicContact CD1-CD2 4.06Å; L169-W255 HydrophobicContact CD1-CE3 3.97Å; L169-W255 HydrophobicContact CD1-CH2 3.51Å; L169-W255 HydrophobicContact CD1-CZ2 3.58Å; L169-W255 HydrophobicContact CD1-CZ3 3.7Å; L171-W255 HydrophobicContact CD2-CE3 4.34Å; L171-W255 HydrophobicContact CD2-CZ3 3.97Å; M249-W255 HydrophobicContact CG-CH2 3.65Å; M249-W255 HydrophobicContact CG-CZ2 4.01Å; M249-W255 HydrophobicContact SD-CH2 3.77Å; A252-W255 HydrophobicContact CB-CZ2 4.44Å; W255-M257 PolarHBondContact O-N 3.39Å; W255-N272 PolarHBondContact N-O 3.39Å; W255-F273 HydrophobicContact CB-CD1 3.53Å; W255-F273 HydrophobicContact CB-CD2 4.03Å; W255-F273 HydrophobicContact CB-CE1 3.52Å; W255-F273 HydrophobicContact CB-CE2 4.04Å; W255-F273 HydrophobicContact CB-CG 3.8Å; W255-F273 HydrophobicContact CB-CZ 3.79Å; W255-F273 AromaticContact CD1-CD2 3.99Å; W255-F273 AromaticContact CD1-CE2 3.44Å; W255-F273 VanDerWaalsContact CD1-CE2 3.44Å; W255-F273 AromaticContact CD1-CZ 3.57Å; W255-F273 AromaticContact CD2-CE1 3.78Å; W255-F273 HydrophobicContact CD2-CE1 3.78Å; W255-F273 HydrophobicContact CD2-CE2 4.2Å; W255-F273 AromaticContact CD2-CZ 3.51Å; W255-F273 HydrophobicContact CD2-CZ 3.51Å; W255-F273 AromaticContact CE2-CZ 3.82Å; W255-F273 HydrophobicContact CE3-CE1 4.05Å; W255-F273 HydrophobicContact CE3-CZ 4.11Å; W255-F273 HydrophobicContact CG-CD1 4.07Å; W255-F273 HydrophobicContact CG-CD2 4.11Å; W255-F273 AromaticContact CG-CE1 3.58Å; W255-F273 HydrophobicContact CG-CE1 3.58Å; W255-F273 AromaticContact CG-CE2 3.64Å; W255-F273 HydrophobicContact CG-CE2 3.64Å; W255-F273 HydrophobicContact CG-CG 4.32Å; W255-F273 AromaticContact CG-CZ 3.35Å; W255-F273 HydrophobicContact CG-CZ 3.35Å; W255-F273 AromaticContact NE1-CE2 3.88Å; W255-F273 AromaticContact NE1-CZ 3.84Å; W255-F273 CarbonylContact O-C 3.58Å; W255-F273 WeakPolarHBondContact O-CA 3.37Å; W255-K274 PolarHBondContact O-N 2.98Å |
| 256 | L | 98.5 | Very high | 96.3 | Very high | 1 Ų | 1 | 27 Ų | 27 | 1% | 0.005 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.8 | 92.2 | 170.7 | -60.8 | -174.9 | 0 | 0 | 0 | 109.4 | F148 V168 L169 S170 L171 I254 R258 K274 V276 A459 W462 I463 | F148-L256 HydrophobicContact CE2-CD1 4Å; F148-L256 HydrophobicContact CZ-CD1 4.5Å; V168-L256 HydrophobicContact CG1-CD1 4Å; V168-L256 HydrophobicContact CG1-CG 3.96Å; L169-L256 WeakPolarHBondContact O-CB 3.34Å; L169-L256 PolarHBondContact O-N 3.45Å; S170-L256 VanDerWaalsContact CA-O 3.31Å; S170-L256 WeakPolarHBondContact CA-O 3.29Å; L171-L256 PolarHBondContact N-O 2.95Å; I254-L256 HydrophobicContact CG2-CD2 3.69Å; I254-L256 HydrophobicContact CG2-CG 4.11Å; L256-R258 PolarHBondContact O-N 2.92Å; L256-K274 CarbonylContact C-O 3.57Å; L256-K274 WeakPolarHBondContact CA-O 3.4Å; L256-K274 HydrophobicContact CD2-CB 3.92Å; L256-K274 HydrophobicContact CD2-CG 4.47Å; L256-V276 HydrophobicContact CB-CG2 3.93Å; L256-V276 HydrophobicContact CD2-CG1 4.3Å; L256-A459 HydrophobicContact CD1-CB 3.87Å; L256-W462 HydrophobicContact CD2-CB 4.17Å; L256-I463 HydrophobicContact CD1-CD1 4.08Å; L256-I463 HydrophobicContact CD1-CG1 4.16Å |
| 257 | M | 97.5 | Very high | 96.3 | Very high | 4 Ų | 4 | 27.2 Ų | 27.2 | 2% | 0.02 | 13% | 0.129 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -73.1 | 121.8 | 174.5 | -61.8 | -54.5 | -60.9 | 0 | 0 | 109.7 | L171 W255 T259 F273 K274 F275 V276 | L171-M257 HydrophobicContact CB-CE 4.45Å; L171-M257 HydrophobicContact CB-SD 4.16Å; L171-M257 HydrophobicContact CD2-CE 4.22Å; L171-M257 HydrophobicContact CD2-SD 4.37Å; L171-M257 HydrophobicContact CG-CE 4.28Å; L171-M257 CarbonylContact O-C 3.5Å; L171-M257 VanDerWaalsContact O-CA 3.3Å; L171-M257 WeakPolarHBondContact O-CA 3.23Å; W255-M257 PolarHBondContact O-N 3.39Å; M257-T259 PolarHBondContact O-N 3.47Å; M257-F273 HydrophobicContact CG-CD1 3.72Å; M257-F273 HydrophobicContact CG-CE1 4.36Å; M257-F273 HydrophobicContact SD-CD1 3.89Å; M257-F273 HydrophobicContact SD-CE1 3.91Å; M257-K274 PolarHBondContact N-O 3.38Å; M257-F275 HydrophobicContact CB-CD1 3.75Å; M257-F275 HydrophobicContact CB-CD2 4.46Å; M257-F275 HydrophobicContact CB-CE1 3.82Å; M257-F275 HydrophobicContact CB-CE2 4.47Å; M257-F275 HydrophobicContact CB-CG 4.1Å; M257-F275 HydrophobicContact CB-CZ 4.19Å; M257-F275 HydrophobicContact CG-CD1 4.39Å; M257-F275 HydrophobicContact CG-CE1 4.02Å; M257-F275 HydrophobicContact CG-CE2 4.2Å; M257-F275 HydrophobicContact CG-CZ 3.92Å; M257-F275 CarbonylContact O-C 3.59Å; M257-F275 WeakPolarHBondContact O-CA 3.37Å; M257-V276 WeakPolarHBondContact O-CG2 3.5Å; M257-V276 PolarHBondContact O-N 3.41Å |
| 258 | R | 96.3 | Very high | 96.4 | Very high | 13 Ų | 13 | 22.8 Ų | 22.8 | 5% | 0.049 | 11% | 0.112 | C | C | . | . | S | Bend | trans | -80.4 | 28.9 | 179.9 | -59.2 | -170.9 | -68.2 | -92.8 | 2.4 | 113 | H33 N36 D150 S170 L171 C172 L256 Y380 | H33-R258 PolarHBondContact ND1-NH2 3.09Å; N36-R258 WeakPolarHBondContact OD1-CD 3.4Å; D150-R258 IonicContact OD2-CZ 2.6Å; D150-R258 IonicContact OD2-NH1 2.89Å; D150-R258 PolarHBondContact OD2-NH1 3.42Å; D150-R258 IonicContact OD2-NH2 3.95Å; D150-R258 PolarHBondContact OD2-NH2 3.38Å; S170-R258 PolarHBondContact O-NH1 3.31Å; S170-R258 WeakPolarHBondContact OG-CG 3.3Å; S170-R258 PolarHBondContact OG-NH1 2.88Å; L171-R258 PolarHBondContact O-N 3.32Å; C172-R258 HydrophobicContact CB-CB 4.29Å; C172-R258 VanDerWaalsContact N-NH2 3.17Å; L256-R258 PolarHBondContact O-N 2.92Å; R258-Y380 WeakPolarHBondContact O-CE2 3.26Å |
| 259 | T | 95.3 | Very high | 96.4 | Very high | 9 Ų | 9 | 26.7 Ų | 26.7 | 6% | 0.055 | 13% | 0.133 | C | C | . | . | trans | -121.5 | 168.7 | 173.4 | 70.6 | 0 | 0 | 0 | 0 | 111.6 | M257 D264 F275 G277 Y380 | M257-T259 PolarHBondContact O-N 3.47Å; T259-D264 WeakPolarHBondContact CB-OD2 3.49Å; T259-D264 PolarHBondContact OG1-OD2 3.4Å; T259-F275 CarbonylContact O-C 3.59Å; T259-F275 WeakPolarHBondContact O-CB 3.24Å; T259-G277 PolarHBondContact O-N 3.15Å; T259-Y380 WeakPolarHBondContact CA-OH 3.35Å | ||
| 260 | Y | 96.2 | Very high | 96.4 | Very high | 43 Ų | 43 | 27.2 Ų | 27.2 | 17% | 0.169 | 14% | 0.135 | C | C | . | . | trans | -163.5 | 164.9 | 178.1 | -156.8 | -100.7 | 0 | 0 | 0 | 110.3 | D262 F263 D264 F275 Y380 R451 | Y260-D262 VanDerWaalsContact C-N 3.29Å; Y260-D262 WeakPolarHBondContact CB-OD1 3.46Å; Y260-D262 PolarHBondContact O-N 2.83Å; Y260-F263 CarbonylContact O-C 3.46Å; Y260-F263 PolarHBondContact O-N 3.17Å; Y260-D264 WeakPolarHBondContact O-CB 3.25Å; Y260-D264 PolarHBondContact O-N 3.22Å; Y260-F275 HydrophobicContact CD2-CB 3.83Å; Y260-F275 WeakPolarHBondContact CD2-O 3.2Å; Y260-F275 HydrophobicContact CE2-CB 4.38Å; Y260-Y380 PolarHBondContact N-OH 2.9Å; Y260-R451 VanDerWaalsContact CB-NH2 3.27Å; Y260-R451 HydrophobicContact CE1-CG 4.15Å; Y260-R451 VanDerWaalsContact CE1-NE 3.27Å; Y260-R451 VanDerWaalsContact CG-NH1 3.32Å | ||
| 261 | W | 95 | Very high | 96.4 | Very high | 68 Ų | 68 | 30.1 Ų | 30.1 | 26% | 0.258 | 15% | 0.154 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -71.6 | -14.7 | -166.1 | -43.1 | 117.9 | 0 | 0 | 0 | 115.9 | F265 R267 L269 F275 K408 | W261-F265 VanDerWaalsContact CZ3-O 3.29Å; W261-F265 WeakPolarHBondContact CZ3-O 3.48Å; W261-R267 HydrophobicContact CH2-CG 3.96Å; W261-R267 HydrophobicContact CZ3-CG 4.01Å; W261-L269 HydrophobicContact CH2-CD2 3.62Å; W261-L269 HydrophobicContact CH2-CG 4.45Å; W261-L269 HydrophobicContact CZ2-CD1 3.81Å; W261-L269 HydrophobicContact CZ2-CD2 3.72Å; W261-L269 HydrophobicContact CZ2-CG 4.23Å; W261-F275 HydrophobicContact CH2-CD1 4.04Å; W261-F275 AromaticContact CH2-CE1 3.89Å; W261-F275 HydrophobicContact CH2-CE1 3.89Å; W261-F275 HydrophobicContact CH2-CG 4.38Å; W261-F275 HydrophobicContact CH2-CZ 4.14Å; W261-F275 HydrophobicContact CZ2-CD1 4.21Å; W261-F275 HydrophobicContact CZ2-CD2 4.3Å; W261-F275 HydrophobicContact CZ2-CE1 4.45Å; W261-F275 HydrophobicContact CZ2-CG 4.13Å; W261-K408 PolarHBondContact O-NZ 3.11Å |
| 262 | D | 95.4 | Very high | 96.6 | Very high | 0 Ų | 0 | 25 Ų | 25 | 0% | 0 | 13% | 0.132 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.3 | -23.8 | 168.6 | 49.2 | 9.3 | 0 | 0 | 0 | 112 | Y260 I383 K408 L444 I447 H448 R451 | Y260-D262 VanDerWaalsContact C-N 3.29Å; Y260-D262 WeakPolarHBondContact CB-OD1 3.46Å; Y260-D262 PolarHBondContact O-N 2.83Å; D262-I383 HydrophobicContact CB-CG2 4.32Å; D262-K408 WeakPolarHBondContact O-CD 3.41Å; D262-K408 WeakPolarHBondContact O-CE 3.45Å; D262-L444 WeakPolarHBondContact O-CD2 3.33Å; D262-I447 HydrophobicContact CB-CB 4.4Å; D262-I447 HydrophobicContact CB-CG2 4.06Å; D262-H448 WeakPolarHBondContact OD2-CA 3.36Å; D262-H448 WeakPolarHBondContact OD2-CB 3.35Å; D262-H448 IonicContact OD2-CE1 3.3Å; D262-H448 IonicContact OD2-CG 3.56Å; D262-H448 VanDerWaalsContact OD2-CG 3.27Å; D262-H448 IonicContact OD2-ND1 2.84Å; D262-H448 PolarHBondContact OD2-ND1 3.28Å; D262-R451 IonicContact OD1-NH2 3.38Å; D262-R451 PolarHBondContact OD1-NH2 2.84Å; D262-R451 IonicContact OD2-CZ 3.04Å; D262-R451 IonicContact OD2-NH2 2.91Å; D262-R451 PolarHBondContact OD2-NH2 3.06Å |
| 263 | F | 96.4 | Very high | 96.6 | Very high | 5 Ų | 5 | 25.3 Ų | 25.3 | 2% | 0.022 | 13% | 0.133 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112 | -48.7 | 176.9 | 172.2 | -137.2 | 0 | 0 | 0 | 113.1 | Y260 A376 I379 Y380 I383 N401 H404 M405 K408 | Y260-F263 CarbonylContact O-C 3.46Å; Y260-F263 PolarHBondContact O-N 3.17Å; F263-A376 HydrophobicContact CE1-CB 4.35Å; F263-I379 HydrophobicContact CD2-CG2 3.77Å; F263-I379 HydrophobicContact CE2-CD1 3.95Å; F263-I379 HydrophobicContact CE2-CG2 4.01Å; F263-I379 HydrophobicContact CG-CG2 4.18Å; F263-I379 HydrophobicContact CZ-CD1 4.21Å; F263-Y380 HydrophobicContact CB-CE1 4.02Å; F263-Y380 WeakPolarHBondContact CB-OH 3.49Å; F263-Y380 AromaticContact CD1-CE2 3.75Å; F263-Y380 HydrophobicContact CD1-CE2 3.75Å; F263-Y380 AromaticContact CD1-CZ 3.75Å; F263-Y380 WeakPolarHBondContact CD1-OH 3.37Å; F263-Y380 HydrophobicContact CE1-CE2 4.47Å; F263-Y380 HydrophobicContact CG-CE2 4.49Å; F263-I383 HydrophobicContact CB-CD1 3.85Å; F263-N401 HydrophobicContact CE2-CB 3.99Å; F263-N401 HydrophobicContact CZ-CB 3.66Å; F263-N401 WeakPolarHBondContact CZ-OD1 3.12Å; F263-H404 HydrophobicContact CD2-CB 4.29Å; F263-H404 HydrophobicContact CE2-CB 3.98Å; F263-H404 WeakPolarHBondContact O-CB 3Å; F263-M405 HydrophobicContact CD2-CG 4.38Å; F263-M405 HydrophobicContact CD2-SD 3.65Å; F263-M405 HydrophobicContact CE2-CG 4.35Å; F263-M405 HydrophobicContact CE2-SD 4.2Å; F263-K408 WeakPolarHBondContact O-CE 3.34Å |
| 264 | D | 95.1 | Very high | 96.5 | Very high | 28 Ų | 28 | 26.3 Ų | 26.3 | 15% | 0.15 | 14% | 0.137 | C | C | . | . | S | Bend | trans | -85.2 | 170.6 | -175.4 | -151.2 | -21.5 | 0 | 0 | 0 | 112 | T259 Y260 H404 K408 | T259-D264 WeakPolarHBondContact CB-OD2 3.49Å; T259-D264 PolarHBondContact OG1-OD2 3.4Å; Y260-D264 WeakPolarHBondContact O-CB 3.25Å; Y260-D264 PolarHBondContact O-N 3.22Å; D264-H404 IonicContact OD1-NE2 3.56Å; D264-K408 PolarHBondContact O-NZ 2.83Å |
| 265 | F | 96 | Very high | 96.5 | Very high | 14 Ų | 14 | 26.8 Ų | 26.8 | 6% | 0.061 | 14% | 0.139 | C | C | . | . | P | Polyproline II helix | trans | -89.3 | 145.1 | 170.3 | -62.8 | -60.9 | 0 | 0 | 0 | 111.8 | P194 T201 D202 W261 R267 H404 A407 | P194-F265 HydrophobicContact CG-CD2 4.1Å; T201-F265 HydrophobicContact CG2-CZ 4.12Å; D202-F265 HydrophobicContact CB-CB 3.75Å; D202-F265 HydrophobicContact CB-CD1 4.03Å; D202-F265 HydrophobicContact CB-CD2 4.23Å; D202-F265 HydrophobicContact CB-CG 3.75Å; D202-F265 VanDerWaalsContact CG-CD1 3.45Å; D202-F265 WeakPolarHBondContact OD1-CD1 3.42Å; D202-F265 WeakPolarHBondContact OD1-CE1 3.45Å; W261-F265 VanDerWaalsContact CZ3-O 3.29Å; W261-F265 WeakPolarHBondContact CZ3-O 3.48Å; F265-R267 PolarHBondContact O-N 3.45Å; F265-H404 AromaticContact CD2-CD2 3.32Å; F265-H404 WeakPolarHBondContact CD2-CD2 3.47Å; F265-H404 AromaticContact CD2-NE2 3.19Å; F265-H404 WeakPolarHBondContact CD2-NE2 3.23Å; F265-H404 AromaticContact CE2-CD2 3.25Å; F265-H404 WeakPolarHBondContact CE2-CD2 3.48Å; F265-H404 AromaticContact CE2-CE1 3.86Å; F265-H404 AromaticContact CE2-CG 3.76Å; F265-H404 AromaticContact CE2-NE2 3.32Å; F265-H404 VanDerWaalsContact CE2-NE2 3.32Å; F265-H404 WeakPolarHBondContact CE2-NE2 3.36Å; F265-H404 AromaticContact CG-CD2 3.99Å; F265-H404 AromaticContact CZ-CD2 3.87Å; F265-A407 HydrophobicContact CE1-CB 4.04Å; F265-A407 HydrophobicContact CZ-CB 3.89Å |
| 266 | P | 94.6 | Very high | 96.4 | Very high | 82 Ų | 82 | 26.8 Ų | 26.8 | 53% | 0.532 | 14% | 0.139 | S | C | . | . | P | Polyproline II helix | trans | -58.8 | 135.9 | 177.5 | -24 | 34.6 | 0 | 0 | 0 | 113.2 | ||
| 267 | R | 94.9 | Very high | 96.3 | Very high | 27 Ų | 27 | 26.7 Ų | 26.7 | 10% | 0.102 | 14% | 0.139 | C | C | . | . | trans | -146.5 | 164.1 | 179.3 | 64 | -177.9 | -69.9 | -177.5 | 0.9 | 112.4 | N177 L186 P187 V193 W261 F265 | N177-R267 PolarHBondContact ND2-NH1 3.21Å; L186-R267 VanDerWaalsContact CD2-CZ 3.49Å; P187-R267 PolarHBondContact O-NH2 3.05Å; V193-R267 HydrophobicContact CG2-CB 3.89Å; W261-R267 HydrophobicContact CH2-CG 3.96Å; W261-R267 HydrophobicContact CZ3-CG 4.01Å; F265-R267 PolarHBondContact O-N 3.45Å | ||
| 268 | P | 96 | Very high | 96.2 | Very high | 45 Ų | 45 | 26.8 Ų | 26.8 | 29% | 0.292 | 14% | 0.14 | S | C | . | . | trans | -61.7 | 146.4 | 174.6 | -19.4 | 32 | 0 | 0 | 0 | 111.9 | P187 P189 F192 | P187-P268 HydrophobicContact CB-CB 3.99Å; P187-P268 HydrophobicContact CB-CG 4.29Å; P187-P268 HydrophobicContact CG-CB 4.27Å; P189-P268 HydrophobicContact CG-CG 4.23Å; F192-P268 HydrophobicContact CZ-CG 4.08Å | ||
| 269 | L | 95.3 | Very high | 96.2 | Very high | 90 Ų | 90 | 26.2 Ų | 26.2 | 47% | 0.471 | 14% | 0.139 | S | C | . | . | trans | -121.1 | 149.6 | -173 | -60.1 | -175.8 | 0 | 0 | 0 | 112.1 | W261 F275 | W261-L269 HydrophobicContact CH2-CD2 3.62Å; W261-L269 HydrophobicContact CH2-CG 4.45Å; W261-L269 HydrophobicContact CZ2-CD1 3.81Å; W261-L269 HydrophobicContact CZ2-CD2 3.72Å; W261-L269 HydrophobicContact CZ2-CG 4.23Å; L269-F275 HydrophobicContact CD2-CD2 3.95Å; L269-F275 HydrophobicContact CD2-CE2 3.25Å; L269-F275 HydrophobicContact CD2-CZ 3.61Å | ||
| 270 | L | 96.8 | Very high | 96.1 | Very high | 19 Ų | 19 | 26.7 Ų | 26.7 | 10% | 0.099 | 14% | 0.14 | C | C | . | . | trans | -106.7 | 150.3 | 170 | -65.6 | -172.6 | 0 | 0 | 0 | 111.4 | Q185 L186 P187 N272 F273 V477 | Q185-L270 WeakPolarHBondContact O-CD1 3.27Å; L186-L270 HydrophobicContact CD1-CB 4.35Å; L186-L270 HydrophobicContact CD1-CG 4.01Å; P187-L270 HydrophobicContact CG-CD2 4.4Å; L270-N272 PolarHBondContact O-N 2.96Å; L270-F273 HydrophobicContact CB-CB 4.42Å; L270-F273 HydrophobicContact CB-CD2 3.79Å; L270-F273 HydrophobicContact CB-CG 4.43Å; L270-F273 HydrophobicContact CD1-CD2 4.08Å; L270-F273 HydrophobicContact CD1-CE2 4.03Å; L270-F273 HydrophobicContact CG-CD2 4.39Å; L270-F273 PolarHBondContact O-N 2.94Å; L270-V477 HydrophobicContact CD1-CG2 3.9Å; L270-V477 HydrophobicContact CD2-CB 4.49Å; L270-V477 HydrophobicContact CD2-CG1 3.69Å; L270-V477 HydrophobicContact CD2-CG2 4.06Å | ||
| 271 | P | 97.4 | Very high | 96.1 | Very high | 64 Ų | 64 | 25.1 Ų | 25.1 | 42% | 0.416 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.5 | -26.3 | -177.4 | -23.8 | 34.3 | 0 | 0 | 0 | 114.9 | K274 L475 | P271-K274 WeakPolarHBondContact O-CE 3.29Å; P271-K274 PolarHBondContact O-NZ 3.14Å; P271-L475 HydrophobicContact CB-CB 4.17Å; P271-L475 HydrophobicContact CB-CD2 4.06Å |
| 272 | N | 97.8 | Very high | 96 | Very high | 0 Ų | 0 | 26 Ų | 26 | 0% | 0 | 14% | 0.141 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92 | -1.7 | 176.9 | 65.6 | -37.8 | 0 | 0 | 0 | 114.1 | D253 I254 W255 L270 L475 | D253-N272 WeakPolarHBondContact O-CB 3.41Å; I254-N272 WeakPolarHBondContact CA-O 3.46Å; I254-N272 HydrophobicContact CD1-CB 4.31Å; W255-N272 PolarHBondContact N-O 3.39Å; L270-N272 PolarHBondContact O-N 2.96Å; N272-L475 HydrophobicContact CB-CB 3.86Å |
| 273 | F | 98.2 | Very high | 96.1 | Very high | 7 Ų | 7 | 30.4 Ų | 30.4 | 3% | 0.031 | 17% | 0.169 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.4 | 123.6 | 174.1 | -82.5 | -107.8 | 0 | 0 | 0 | 110.3 | E180 G184 L186 W255 M257 L270 F275 | E180-F273 HydrophobicContact CB-CE1 3.89Å; E180-F273 HydrophobicContact CB-CZ 4.34Å; G184-F273 WeakPolarHBondContact O-CE2 3.43Å; L186-F273 HydrophobicContact CB-CD1 4.32Å; L186-F273 HydrophobicContact CB-CE1 3.9Å; L186-F273 HydrophobicContact CB-CE2 4.24Å; L186-F273 HydrophobicContact CB-CZ 3.84Å; L186-F273 HydrophobicContact CD1-CB 4.3Å; L186-F273 HydrophobicContact CD1-CD1 4.03Å; L186-F273 HydrophobicContact CD1-CD2 4.33Å; L186-F273 HydrophobicContact CD1-CE1 4.47Å; L186-F273 HydrophobicContact CD1-CG 3.96Å; L186-F273 HydrophobicContact CD2-CD1 3.76Å; L186-F273 HydrophobicContact CD2-CE1 3.83Å; L186-F273 HydrophobicContact CG-CD1 4.26Å; L186-F273 HydrophobicContact CG-CE1 4.28Å; W255-F273 HydrophobicContact CB-CD1 3.53Å; W255-F273 HydrophobicContact CB-CD2 4.03Å; W255-F273 HydrophobicContact CB-CE1 3.52Å; W255-F273 HydrophobicContact CB-CE2 4.04Å; W255-F273 HydrophobicContact CB-CG 3.8Å; W255-F273 HydrophobicContact CB-CZ 3.79Å; W255-F273 AromaticContact CD1-CD2 3.99Å; W255-F273 AromaticContact CD1-CE2 3.44Å; W255-F273 VanDerWaalsContact CD1-CE2 3.44Å; W255-F273 AromaticContact CD1-CZ 3.57Å; W255-F273 AromaticContact CD2-CE1 3.78Å; W255-F273 HydrophobicContact CD2-CE1 3.78Å; W255-F273 HydrophobicContact CD2-CE2 4.2Å; W255-F273 AromaticContact CD2-CZ 3.51Å; W255-F273 HydrophobicContact CD2-CZ 3.51Å; W255-F273 AromaticContact CE2-CZ 3.82Å; W255-F273 HydrophobicContact CE3-CE1 4.05Å; W255-F273 HydrophobicContact CE3-CZ 4.11Å; W255-F273 HydrophobicContact CG-CD1 4.07Å; W255-F273 HydrophobicContact CG-CD2 4.11Å; W255-F273 AromaticContact CG-CE1 3.58Å; W255-F273 HydrophobicContact CG-CE1 3.58Å; W255-F273 AromaticContact CG-CE2 3.64Å; W255-F273 HydrophobicContact CG-CE2 3.64Å; W255-F273 HydrophobicContact CG-CG 4.32Å; W255-F273 AromaticContact CG-CZ 3.35Å; W255-F273 HydrophobicContact CG-CZ 3.35Å; W255-F273 AromaticContact NE1-CE2 3.88Å; W255-F273 AromaticContact NE1-CZ 3.84Å; W255-F273 CarbonylContact O-C 3.58Å; W255-F273 WeakPolarHBondContact O-CA 3.37Å; M257-F273 HydrophobicContact CG-CD1 3.72Å; M257-F273 HydrophobicContact CG-CE1 4.36Å; M257-F273 HydrophobicContact SD-CD1 3.89Å; M257-F273 HydrophobicContact SD-CE1 3.91Å; L270-F273 HydrophobicContact CB-CB 4.42Å; L270-F273 HydrophobicContact CB-CD2 3.79Å; L270-F273 HydrophobicContact CB-CG 4.43Å; L270-F273 HydrophobicContact CD1-CD2 4.08Å; L270-F273 HydrophobicContact CD1-CE2 4.03Å; L270-F273 HydrophobicContact CG-CD2 4.39Å; L270-F273 PolarHBondContact O-N 2.94Å; F273-F275 HydrophobicContact CB-CE2 4.09Å |
| 274 | K | 97.8 | Very high | 96.1 | Very high | 32 Ų | 32 | 32.3 Ų | 32.3 | 14% | 0.139 | 19% | 0.186 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 124.1 | -175.7 | -51.5 | -62.8 | 169.7 | -176.4 | 0 | 109.7 | I254 W255 L256 M257 P271 W462 | I254-K274 HydrophobicContact CG2-CG 4.12Å; W255-K274 PolarHBondContact O-N 2.98Å; L256-K274 CarbonylContact C-O 3.57Å; L256-K274 WeakPolarHBondContact CA-O 3.4Å; L256-K274 HydrophobicContact CD2-CB 3.92Å; L256-K274 HydrophobicContact CD2-CG 4.47Å; M257-K274 PolarHBondContact N-O 3.38Å; P271-K274 WeakPolarHBondContact O-CE 3.29Å; P271-K274 PolarHBondContact O-NZ 3.14Å; K274-W462 HydrophobicContact CD-CD2 3.97Å; K274-W462 VanDerWaalsContact CD-CE2 3.4Å; K274-W462 HydrophobicContact CD-CG 4.28Å; K274-W462 HydrophobicContact CD-CZ2 3.74Å; K274-W462 VanDerWaalsContact CD-NE1 3.33Å; K274-W462 HydrophobicContact CG-CD2 3.86Å; K274-W462 HydrophobicContact CG-CG 3.74Å |
| 275 | F | 96.9 | Very high | 96.2 | Very high | 10 Ų | 10 | 37.3 Ų | 37.3 | 4% | 0.044 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -97.2 | 103.5 | -171.8 | -74.4 | -102 | 0 | 0 | 0 | 108.4 | L186 M257 T259 Y260 W261 L269 F273 | L186-F275 HydrophobicContact CD2-CZ 4.42Å; M257-F275 HydrophobicContact CB-CD1 3.75Å; M257-F275 HydrophobicContact CB-CD2 4.46Å; M257-F275 HydrophobicContact CB-CE1 3.82Å; M257-F275 HydrophobicContact CB-CE2 4.47Å; M257-F275 HydrophobicContact CB-CG 4.1Å; M257-F275 HydrophobicContact CB-CZ 4.19Å; M257-F275 HydrophobicContact CG-CD1 4.39Å; M257-F275 HydrophobicContact CG-CE1 4.02Å; M257-F275 HydrophobicContact CG-CE2 4.2Å; M257-F275 HydrophobicContact CG-CZ 3.92Å; M257-F275 CarbonylContact O-C 3.59Å; M257-F275 WeakPolarHBondContact O-CA 3.37Å; T259-F275 CarbonylContact O-C 3.59Å; T259-F275 WeakPolarHBondContact O-CB 3.24Å; Y260-F275 HydrophobicContact CD2-CB 3.83Å; Y260-F275 WeakPolarHBondContact CD2-O 3.2Å; Y260-F275 HydrophobicContact CE2-CB 4.38Å; W261-F275 HydrophobicContact CH2-CD1 4.04Å; W261-F275 AromaticContact CH2-CE1 3.89Å; W261-F275 HydrophobicContact CH2-CE1 3.89Å; W261-F275 HydrophobicContact CH2-CG 4.38Å; W261-F275 HydrophobicContact CH2-CZ 4.14Å; W261-F275 HydrophobicContact CZ2-CD1 4.21Å; W261-F275 HydrophobicContact CZ2-CD2 4.3Å; W261-F275 HydrophobicContact CZ2-CE1 4.45Å; W261-F275 HydrophobicContact CZ2-CG 4.13Å; L269-F275 HydrophobicContact CD2-CD2 3.95Å; L269-F275 HydrophobicContact CD2-CE2 3.25Å; L269-F275 HydrophobicContact CD2-CZ 3.61Å; F273-F275 HydrophobicContact CB-CE2 4.09Å |
| 276 | V | 97.3 | Very high | 96.3 | Very high | 1 Ų | 1 | 42.7 Ų | 42.7 | 1% | 0.006 | 24% | 0.243 | C | C | . | . | trans | -114.5 | 32.6 | -171.8 | -63.4 | 0 | 0 | 0 | 0 | 111.2 | L256 M257 G278 I279 E458 A459 | L256-V276 HydrophobicContact CB-CG2 3.93Å; L256-V276 HydrophobicContact CD2-CG1 4.3Å; M257-V276 WeakPolarHBondContact O-CG2 3.5Å; M257-V276 PolarHBondContact O-N 3.41Å; V276-G278 PolarHBondContact O-N 3.3Å; V276-I279 HydrophobicContact CB-CG2 3.67Å; V276-I279 HydrophobicContact CG2-CG2 3.73Å; V276-I279 WeakPolarHBondContact O-CG2 3.5Å; V276-I279 PolarHBondContact O-N 3.44Å; V276-E458 HydrophobicContact CG1-CB 4.2Å; V276-E458 HydrophobicContact CG1-CG 4.02Å; V276-A459 HydrophobicContact CB-CB 4.39Å; V276-A459 HydrophobicContact CG1-CB 4.11Å; V276-A459 HydrophobicContact CG2-CB 4.44Å | ||
| 277 | G | 96.6 | Very high | 96.5 | Very high | 0 Ų | 0 | 39.7 Ų | 39.7 | 0% | 0 | 22% | 0.222 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -50.3 | 129 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.9 | T259 Y380 H448 R451 P455 | T259-G277 PolarHBondContact O-N 3.15Å; G277-Y380 VanDerWaalsContact CA-CZ 3.49Å; G277-H448 PolarHBondContact O-CE1 2.8Å; G277-R451 PolarHBondContact O-NH1 3.36Å; G277-R451 PolarHBondContact O-NH2 3.21Å; G277-P455 WeakPolarHBondContact O-CB 3.42Å; G277-P455 WeakPolarHBondContact O-CG 3.45Å |
| 278 | G | 95.8 | Very high | 96.6 | Very high | 5 Ų | 5 | 42.2 Ų | 42.2 | 5% | 0.052 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 89.5 | 20.6 | -177.9 | 0 | 0 | 0 | 0 | 0 | 116.5 | V276 H280 C281 | V276-G278 PolarHBondContact O-N 3.3Å; G278-H280 PolarHBondContact O-N 2.96Å; G278-H280 VanDerWaalsContact O-N 3.1Å; G278-C281 WeakPolarHBondContact O-CB 3.26Å; G278-C281 PolarHBondContact O-N 3.03Å |
| 279 | I | 95.3 | Very high | 96.6 | Very high | 2 Ų | 2 | 47.5 Ų | 47.5 | 1% | 0.01 | 26% | 0.263 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -54.2 | -30.3 | -179.5 | 65.1 | 177.2 | 0 | 0 | 0 | 115.2 | N36 L40 V276 P455 R456 A459 | N36-I279 WeakPolarHBondContact OD1-CD1 3.43Å; N36-I279 WeakPolarHBondContact OD1-CG1 3.38Å; L40-I279 HydrophobicContact CB-CD1 4.45Å; L40-I279 HydrophobicContact CD2-CD1 4.34Å; V276-I279 HydrophobicContact CB-CG2 3.67Å; V276-I279 HydrophobicContact CG2-CG2 3.73Å; V276-I279 WeakPolarHBondContact O-CG2 3.5Å; V276-I279 PolarHBondContact O-N 3.44Å; I279-P455 HydrophobicContact CG2-CB 4.19Å; I279-R456 PolarHBondContact O-NE 3.27Å; I279-R456 PolarHBondContact O-NH2 3.01Å; I279-A459 HydrophobicContact CG2-CB 4.35Å |
| 280 | H | 94.4 | Very high | 96.7 | Very high | 18 Ų | 18 | 49.4 Ų | 49.4 | 8% | 0.083 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -85.2 | -17.5 | -178.8 | 63.2 | -69.7 | 0 | 0 | 0 | 113.2 | N36 P39 G278 N377 E381 | N36-H280 PolarHBondContact ND2-ND1 2.71Å; N36-H280 VanDerWaalsContact ND2-ND1 3.14Å; P39-H280 HydrophobicContact CG-CB 4.36Å; G278-H280 PolarHBondContact O-N 2.96Å; G278-H280 VanDerWaalsContact O-N 3.1Å; H280-N377 PolarHBondContact CE1-O 3.31Å; H280-N377 WeakPolarHBondContact NE2-CA 3.31Å; H280-N377 PolarHBondContact NE2-O 2.95Å; H280-E381 IonicContact CD2-OE1 3.67Å; H280-E381 PolarHBondContact CD2-OE1 3.01Å; H280-E381 IonicContact NE2-OE1 3.81Å |
| 281 | C | 94.7 | Very high | 96.7 | Very high | 10 Ų | 10 | 49.1 Ų | 49.1 | 7% | 0.068 | 27% | 0.268 | C | S | . | . | trans | -63.3 | 148.1 | -178.2 | -62.7 | 0 | 0 | 0 | 0 | 111.4 | G278 Y380 Y384 R456 | G278-C281 WeakPolarHBondContact O-CB 3.26Å; G278-C281 PolarHBondContact O-N 3.03Å; C281-Y380 PolarHBondContact SG-O 3.45Å; C281-Y380 VanDerWaalsContact SG-O 3.42Å; C281-Y384 HydrophobicContact CB-CD2 3.37Å; C281-Y384 HydrophobicContact CB-CE2 3.89Å; C281-Y384 HydrophobicContact CB-CG 3.75Å; C281-R456 PolarHBondContact O-NH2 3.13Å | ||
| 282 | K | 94.1 | Very high | 96.8 | Very high | 86 Ų | 86 | 48.5 Ų | 48.5 | 37% | 0.374 | 26% | 0.259 | S | S | . | . | trans | -155.6 | 157.7 | -177.9 | 62.7 | -166.8 | -178.6 | -167.2 | 0 | 111.2 | N359 Y384 | K282-N359 VanDerWaalsContact CG-ND2 3.34Å; K282-N359 WeakPolarHBondContact CG-ND2 3.4Å; K282-N359 PolarHBondContact N-OD1 3.1Å; K282-N359 PolarHBondContact O-ND2 3.12Å; K282-N359 PolarHBondContact O-OD1 3.01Å; K282-Y384 WeakPolarHBondContact O-CE1 3.25Å | ||
| 283 | P | 96.4 | Very high | 96.8 | Very high | 93 Ų | 93 | 54.3 Ų | 54.3 | 60% | 0.604 | 29% | 0.286 | S | S | * | . | P | Polyproline II helix | trans | -54.1 | 143.6 | 170.2 | -24.8 | 34.9 | 0 | 0 | 0 | 111.1 | Y384 | P283-Y384 VanDerWaalsContact CD-OH 3.3Å; P283-Y384 WeakPolarHBondContact CD-OH 3.22Å |
| 284 | A | 97.3 | Very high | 96.8 | Very high | 45 Ų | 45 | 54.2 Ų | 54.2 | 37% | 0.372 | 29% | 0.286 | S | S | . | . | P | Polyproline II helix | trans | -65.6 | 136.1 | 179.2 | 0 | 0 | 0 | 0 | 0 | 111.2 | D360 | A284-D360 WeakPolarHBondContact CA-OD1 3.49Å; A284-D360 HydrophobicContact CB-CB 4.45Å |
| 285 | K | 97.4 | Very high | 96.8 | Very high | 133 Ų | 133 | 52.7 Ų | 52.7 | 58% | 0.578 | 28% | 0.28 | S | S | * | . | P | Polyproline II helix | trans | -92.5 | 159.8 | 169.9 | -65.5 | -175 | 178.8 | -174.2 | 0 | 110.6 | D360 | K285-D360 PolarHBondContact N-OD1 3.28Š|
| 286 | P | 97.7 | Very high | 96.9 | Very high | 128 Ų | 128 | 56.5 Ų | 56.5 | 83% | 0.831 | 30% | 0.297 | S | S | * | . | P | Polyproline II helix | trans | -55.3 | 139.8 | 171.4 | -25.1 | 35 | 0 | 0 | 0 | 111.9 | ||
| 287 | L | 98 | Very high | 96.9 | Very high | 18 Ų | 18 | 59.7 Ų | 59.7 | 9% | 0.094 | 32% | 0.32 | C | S | . | . | P | Polyproline II helix | trans | -76.3 | 156.1 | 176.6 | -60 | 177.6 | 0 | 0 | 0 | 110.8 | M291 E292 V295 P357 D360 L361 | L287-M291 HydrophobicContact CB-CB 4.49Å; L287-M291 HydrophobicContact CD1-CG 4.35Å; L287-M291 HydrophobicContact CD2-SD 4.2Å; L287-E292 HydrophobicContact CB-CB 4.31Å; L287-V295 HydrophobicContact CD1-CG2 4.03Å; L287-P357 HydrophobicContact CD2-CG 3.88Å; L287-D360 HydrophobicContact CD2-CB 3.84Å; L287-L361 HydrophobicContact CD1-CD2 3.62Å; L287-L361 HydrophobicContact CD2-CD2 4.01Å; L287-L361 HydrophobicContact CD2-CG 4.04Å |
| 288 | P | 97.4 | Very high | 96.9 | Very high | 80 Ų | 80 | 60.2 Ų | 60.2 | 52% | 0.519 | 32% | 0.324 | S | S | . | . | P | Polyproline II helix | trans | -55.2 | 142.5 | 167 | -23.3 | 34 | 0 | 0 | 0 | 111.1 | E290 M291 E292 | P288-E290 PolarHBondContact O-N 2.8Å; P288-M291 HydrophobicContact CB-CB 4.46Å; P288-M291 WeakPolarHBondContact O-CA 3.28Å; P288-M291 WeakPolarHBondContact O-CB 3.26Å; P288-M291 PolarHBondContact O-N 2.89Å; P288-E292 PolarHBondContact O-N 3.43Å |
| 289 | E | 97.1 | Very high | 97 | Very high | 156 Ų | 156 | 61.7 Ų | 61.7 | 73% | 0.729 | 34% | 0.339 | S | S | * | . | H | α-helix | trans | -50.4 | -49.5 | -172.1 | -172.9 | 173.5 | -166.1 | 0 | 0 | 113.3 | M291 E292 E293 | E289-M291 VanDerWaalsContact C-N 3.27Å; E289-M291 PolarHBondContact O-N 3.1Å; E289-E292 WeakPolarHBondContact O-CB 3.47Å; E289-E292 PolarHBondContact O-N 3.24Å; E289-E292 VanDerWaalsContact O-N 3.16Å; E289-E293 WeakPolarHBondContact O-CG 3.45Å; E289-E293 PolarHBondContact O-N 3.47Å |
| 290 | E | 96.1 | Very high | 97 | Very high | 131 Ų | 131 | 69.2 Ų | 69.2 | 61% | 0.612 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -61.5 | -34.4 | 179 | -167.5 | -160.4 | 152.8 | 0 | 0 | 113.2 | P288 F294 R351 | P288-E290 PolarHBondContact O-N 2.8Å; E290-F294 PolarHBondContact O-N 2.97Å; E290-R351 PolarHBondContact O-NH1 3.43Å; E290-R351 IonicContact OE1-NH1 3.21Å |
| 291 | M | 97.9 | Very high | 97.2 | Very high | 12 Ų | 12 | 69.8 Ų | 69.8 | 6% | 0.059 | 39% | 0.387 | C | S | . | . | H | α-helix | trans | -74 | -42.8 | 177.1 | -173.5 | 175.1 | -72.4 | 0 | 0 | 110.4 | L287 P288 E289 F294 V295 L335 Y353 P357 L361 | L287-M291 HydrophobicContact CB-CB 4.49Å; L287-M291 HydrophobicContact CD1-CG 4.35Å; L287-M291 HydrophobicContact CD2-SD 4.2Å; P288-M291 HydrophobicContact CB-CB 4.46Å; P288-M291 WeakPolarHBondContact O-CA 3.28Å; P288-M291 WeakPolarHBondContact O-CB 3.26Å; P288-M291 PolarHBondContact O-N 2.89Å; E289-M291 VanDerWaalsContact C-N 3.27Å; E289-M291 PolarHBondContact O-N 3.1Å; M291-F294 PolarHBondContact O-N 3.47Å; M291-V295 VanDerWaalsContact O-CG2 3.3Å; M291-V295 WeakPolarHBondContact O-CG2 3.49Å; M291-V295 PolarHBondContact O-N 3.44Å; M291-L335 HydrophobicContact CE-CD2 4.3Å; M291-L335 HydrophobicContact CG-CD2 3.58Å; M291-L335 HydrophobicContact SD-CD2 3.92Å; M291-Y353 HydrophobicContact CE-CD1 3.87Å; M291-Y353 HydrophobicContact CE-CE1 3.56Å; M291-Y353 HydrophobicContact CE-CE2 4.32Å; M291-Y353 HydrophobicContact CE-CG 4.38Å; M291-P357 HydrophobicContact CE-CG 4.36Å; M291-P357 HydrophobicContact SD-CG 3.77Å; M291-L361 HydrophobicContact CG-CD2 4.39Å; M291-L361 HydrophobicContact SD-CD1 4.08Å; M291-L361 HydrophobicContact SD-CD2 3.91Å; M291-L361 HydrophobicContact SD-CG 4.16Å |
| 292 | E | 98.1 | Very high | 97.4 | Very high | 51 Ų | 51 | 69.3 Ų | 69.3 | 24% | 0.238 | 38% | 0.384 | C | S | . | . | H | α-helix | trans | -59 | -46.7 | 175.8 | -174.2 | 59.6 | -148.3 | 0 | 0 | 111.1 | L287 P288 E289 F294 V295 Q296 H364 | L287-E292 HydrophobicContact CB-CB 4.31Å; P288-E292 PolarHBondContact O-N 3.43Å; E289-E292 WeakPolarHBondContact O-CB 3.47Å; E289-E292 PolarHBondContact O-N 3.24Å; E289-E292 VanDerWaalsContact O-N 3.16Å; E292-F294 VanDerWaalsContact C-N 3.3Å; E292-F294 PolarHBondContact O-N 2.8Å; E292-V295 WeakPolarHBondContact O-CB 3.36Å; E292-V295 PolarHBondContact O-N 2.83Å; E292-V295 VanDerWaalsContact O-N 3.13Å; E292-Q296 HydrophobicContact CG-CG 4.36Å; E292-Q296 WeakPolarHBondContact O-CB 3.08Å; E292-Q296 VanDerWaalsContact O-CG 3.31Å; E292-Q296 WeakPolarHBondContact O-CG 3.23Å; E292-Q296 PolarHBondContact O-N 2.84Å; E292-Q296 WeakPolarHBondContact OE1-CG 3.28Å; E292-Q296 PolarHBondContact OE1-NE2 2.94Å; E292-H364 IonicContact OE1-NE2 3.66Å; E292-H364 PolarHBondContact OE1-NE2 2.76Å; E292-H364 IonicContact OE2-CD2 2.78Å; E292-H364 IonicContact OE2-NE2 3.03Å |
| 293 | E | 97.8 | Very high | 97.6 | Very high | 122 Ų | 122 | 65.2 Ų | 65.2 | 57% | 0.57 | 37% | 0.366 | S | S | * | . | H | α-helix | trans | -56.1 | -43.8 | 176.1 | -74.2 | -177.6 | 169 | 0 | 0 | 112.3 | E289 Q296 S297 | E289-E293 WeakPolarHBondContact O-CG 3.45Å; E289-E293 PolarHBondContact O-N 3.47Å; E293-Q296 PolarHBondContact O-N 2.99Å; E293-S297 PolarHBondContact O-N 3Å |
| 294 | F | 98.2 | Very high | 97.7 | Very high | 6 Ų | 6 | 60.8 Ų | 60.8 | 3% | 0.026 | 34% | 0.337 | C | S | . | . | H | α-helix | trans | -64.8 | -43.8 | 176.5 | -176.7 | -116.1 | 0 | 0 | 0 | 112.3 | E290 M291 E292 Q296 S297 K333 L335 N349 R351 | E290-F294 PolarHBondContact O-N 2.97Å; M291-F294 PolarHBondContact O-N 3.47Å; E292-F294 VanDerWaalsContact C-N 3.3Å; E292-F294 PolarHBondContact O-N 2.8Å; F294-Q296 VanDerWaalsContact C-N 3.32Å; F294-Q296 PolarHBondContact O-N 3.14Å; F294-S297 WeakPolarHBondContact O-CB 3.45Å; F294-S297 PolarHBondContact O-N 3.42Å; F294-S297 PolarHBondContact O-OG 3.31Å; F294-K333 HydrophobicContact CD1-CB 4.49Å; F294-K333 HydrophobicContact CE1-CB 3.88Å; F294-K333 HydrophobicContact CE2-CB 4.42Å; F294-K333 HydrophobicContact CE2-CD 3.75Å; F294-K333 HydrophobicContact CE2-CG 4.27Å; F294-K333 HydrophobicContact CZ-CB 3.85Å; F294-K333 HydrophobicContact CZ-CD 3.85Å; F294-K333 HydrophobicContact CZ-CG 4.18Å; F294-L335 HydrophobicContact CD1-CD1 4.1Å; F294-L335 HydrophobicContact CD1-CD2 4.4Å; F294-L335 HydrophobicContact CD1-CG 4.01Å; F294-L335 HydrophobicContact CE1-CD1 4.12Å; F294-L335 HydrophobicContact CE1-CG 4.03Å; F294-N349 WeakPolarHBondContact CZ-O 3.43Å; F294-R351 HydrophobicContact CD1-CB 4.37Å; F294-R351 HydrophobicContact CD1-CG 4.2Å; F294-R351 HydrophobicContact CD2-CG 4.08Å; F294-R351 VanDerWaalsContact CD2-CZ 3.43Å; F294-R351 HydrophobicContact CE1-CB 3.87Å; F294-R351 HydrophobicContact CE1-CG 3.84Å; F294-R351 HydrophobicContact CE2-CG 3.68Å; F294-R351 HydrophobicContact CG-CG 4.29Å; F294-R351 HydrophobicContact CZ-CB 3.96Å; F294-R351 HydrophobicContact CZ-CG 3.54Å |
| 295 | V | 98.3 | Very high | 97.8 | Very high | 0 Ų | 0 | 58.7 Ų | 58.7 | 0% | 0 | 32% | 0.32 | C | S | . | . | H | α-helix | trans | -60.6 | -43.6 | 176.3 | 168.5 | 0 | 0 | 0 | 0 | 110.6 | L287 M291 E292 S297 S298 I303 L335 L361 H364 K366 | L287-V295 HydrophobicContact CD1-CG2 4.03Å; M291-V295 VanDerWaalsContact O-CG2 3.3Å; M291-V295 WeakPolarHBondContact O-CG2 3.49Å; M291-V295 PolarHBondContact O-N 3.44Å; E292-V295 WeakPolarHBondContact O-CB 3.36Å; E292-V295 PolarHBondContact O-N 2.83Å; E292-V295 VanDerWaalsContact O-N 3.13Å; V295-S297 VanDerWaalsContact C-N 3.34Å; V295-S297 PolarHBondContact O-N 2.81Å; V295-S298 VanDerWaalsContact O-CB 3.32Å; V295-S298 WeakPolarHBondContact O-CB 3.3Å; V295-S298 PolarHBondContact O-N 3.42Å; V295-S298 PolarHBondContact O-OG 2.87Å; V295-I303 HydrophobicContact CB-CG2 4.28Å; V295-I303 HydrophobicContact CG1-CD1 4.04Å; V295-I303 HydrophobicContact CG1-CG2 3.95Å; V295-I303 HydrophobicContact CG2-CD1 3.88Å; V295-I303 HydrophobicContact CG2-CG2 4.25Å; V295-L335 HydrophobicContact CG2-CD1 3.98Å; V295-L335 HydrophobicContact CG2-CD2 4.26Å; V295-L361 HydrophobicContact CG2-CD2 4.18Å; V295-H364 WeakPolarHBondContact CG1-CE1 3.37Å; V295-H364 WeakPolarHBondContact CG1-ND1 3.3Å; V295-K366 HydrophobicContact CG1-CB 4.21Å; V295-K366 HydrophobicContact CG1-CD 4.23Å; V295-K366 WeakPolarHBondContact O-CD 3.4Å |
| 296 | Q | 98 | Very high | 97.9 | Very high | 90 Ų | 90 | 52.3 Ų | 52.3 | 42% | 0.421 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -67.5 | -33.2 | 179 | -67.4 | -60.1 | -23.2 | 0 | 0 | 112.7 | E292 E293 F294 S298 G299 | E292-Q296 HydrophobicContact CG-CG 4.36Å; E292-Q296 WeakPolarHBondContact O-CB 3.08Å; E292-Q296 VanDerWaalsContact O-CG 3.31Å; E292-Q296 WeakPolarHBondContact O-CG 3.23Å; E292-Q296 PolarHBondContact O-N 2.84Å; E292-Q296 WeakPolarHBondContact OE1-CG 3.28Å; E292-Q296 PolarHBondContact OE1-NE2 2.94Å; E293-Q296 PolarHBondContact O-N 2.99Å; F294-Q296 VanDerWaalsContact C-N 3.32Å; F294-Q296 PolarHBondContact O-N 3.14Å; Q296-S298 PolarHBondContact O-N 2.82Å; Q296-G299 PolarHBondContact O-N 2.87Å |
| 297 | S | 97.9 | Very high | 97.9 | Very high | 68 Ų | 68 | 46.5 Ų | 46.5 | 48% | 0.476 | 25% | 0.254 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -62.1 | -9.7 | 175.7 | 81.9 | 0 | 0 | 0 | 0 | 114.8 | E293 F294 V295 G299 K333 | E293-S297 PolarHBondContact O-N 3Å; F294-S297 WeakPolarHBondContact O-CB 3.45Å; F294-S297 PolarHBondContact O-N 3.42Å; F294-S297 PolarHBondContact O-OG 3.31Å; V295-S297 VanDerWaalsContact C-N 3.34Å; V295-S297 PolarHBondContact O-N 2.81Å; S297-G299 VanDerWaalsContact C-N 3.27Å; S297-G299 PolarHBondContact O-N 3.13Å; S297-K333 WeakPolarHBondContact OG-CE 3.46Å |
| 298 | S | 97.9 | Very high | 97.8 | Very high | 11 Ų | 11 | 46.1 Ų | 46.1 | 8% | 0.077 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.3 | -10 | 178.3 | 67.4 | 0 | 0 | 0 | 0 | 115.2 | V295 Q296 A301 G302 | V295-S298 VanDerWaalsContact O-CB 3.32Å; V295-S298 WeakPolarHBondContact O-CB 3.3Å; V295-S298 PolarHBondContact O-N 3.42Å; V295-S298 PolarHBondContact O-OG 2.87Å; Q296-S298 PolarHBondContact O-N 2.82Å; S298-A301 PolarHBondContact O-N 3.33Å; S298-G302 WeakPolarHBondContact CB-O 3.49Å; S298-G302 WeakPolarHBondContact OG-CA 3.47Å |
| 299 | G | 96.4 | Very high | 97.5 | Very high | 36 Ų | 36 | 42.8 Ų | 42.8 | 37% | 0.371 | 23% | 0.233 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 57.2 | -139.4 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | Q296 S297 K366 | Q296-G299 PolarHBondContact O-N 2.87Å; S297-G299 VanDerWaalsContact C-N 3.27Å; S297-G299 PolarHBondContact O-N 3.13Å; G299-K366 PolarHBondContact O-NZ 2.91Å |
| 300 | D | 96.5 | Very high | 96.9 | Very high | 159 Ų | 159 | 36.1 Ų | 36.1 | 85% | 0.85 | 20% | 0.203 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -79.8 | -21.1 | -179.4 | -65.9 | -27.7 | 0 | 0 | 0 | 113.5 | G302 | D300-G302 PolarHBondContact O-N 2.6Š|
| 301 | A | 97.9 | Very high | 96.4 | Very high | 30 Ų | 30 | 32.3 Ų | 32.3 | 25% | 0.248 | 19% | 0.186 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -60.2 | -35.3 | 177 | 0 | 0 | 0 | 0 | 0 | 110.9 | S298 P331 Q332 K368 | S298-A301 PolarHBondContact O-N 3.33Å; A301-P331 HydrophobicContact CB-CB 4.29Å; A301-Q332 WeakPolarHBondContact O-CG 3.39Å; A301-Q332 PolarHBondContact O-NE2 2.95Å; A301-K368 WeakPolarHBondContact O-CG 3.42Å |
| 302 | G | 98.6 | Very high | 96 | Very high | 1 Ų | 1 | 32.1 Ų | 32.1 | 1% | 0.01 | 19% | 0.186 | C | C | . | . | trans | 76.3 | -163.2 | 178.7 | 0 | 0 | 0 | 0 | 0 | 113.1 | S298 D300 Q332 K333 K366 | S298-G302 WeakPolarHBondContact CB-O 3.49Å; S298-G302 WeakPolarHBondContact OG-CA 3.47Å; D300-G302 PolarHBondContact O-N 2.6Å; G302-Q332 WeakPolarHBondContact O-CA 3.26Å; G302-Q332 WeakPolarHBondContact O-CB 3.28Å; G302-Q332 WeakPolarHBondContact O-CG 3.36Å; G302-K333 PolarHBondContact O-N 3.18Å; G302-K333 VanDerWaalsContact O-N 3.16Å; G302-K366 CarbonylContact C-O 3.59Å; G302-K366 VanDerWaalsContact CA-O 3.28Å; G302-K366 WeakPolarHBondContact CA-O 3.44Å | ||
| 303 | I | 98.9 | Very high | 95.4 | Very high | 0 Ų | 0 | 35 Ų | 35 | 0% | 0 | 20% | 0.197 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.9 | 153.2 | -173.7 | 71.2 | 172.5 | 0 | 0 | 0 | 113.2 | V295 V305 K333 L335 L361 K366 T367 K368 | V295-I303 HydrophobicContact CB-CG2 4.28Å; V295-I303 HydrophobicContact CG1-CD1 4.04Å; V295-I303 HydrophobicContact CG1-CG2 3.95Å; V295-I303 HydrophobicContact CG2-CD1 3.88Å; V295-I303 HydrophobicContact CG2-CG2 4.25Å; I303-V305 HydrophobicContact CD1-CG2 4.36Å; I303-K333 CarbonylContact C-O 3.52Å; I303-K333 WeakPolarHBondContact CA-O 3.35Å; I303-K333 HydrophobicContact CG2-CB 4.21Å; I303-L335 HydrophobicContact CB-CD1 4.14Å; I303-L335 HydrophobicContact CD1-CD1 3.96Å; I303-L335 HydrophobicContact CG2-CD1 4.28Å; I303-L361 HydrophobicContact CD1-CD2 4.14Å; I303-K366 PolarHBondContact N-O 3.45Å; I303-T367 WeakPolarHBondContact CD1-OG1 3.33Å; I303-T367 WeakPolarHBondContact CG1-OG1 3.4Å; I303-K368 PolarHBondContact O-N 3.18Å |
| 304 | V | 98.9 | Very high | 95 | Very high | 0 Ų | 0 | 33.3 Ų | 33.3 | 0% | 0 | 19% | 0.192 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -113.2 | 128.2 | 164.3 | 176.3 | 0 | 0 | 0 | 0 | 108.3 | Q332 K333 V334 L335 I371 V428 I432 | V304-Q332 HydrophobicContact CG2-CB 3.89Å; V304-Q332 HydrophobicContact CG2-CG 3.97Å; V304-K333 PolarHBondContact N-O 2.79Å; V304-V334 HydrophobicContact CB-CG1 4.45Å; V304-V334 HydrophobicContact CB-CG2 4.28Å; V304-V334 WeakPolarHBondContact O-CA 3.29Å; V304-L335 PolarHBondContact O-N 2.91Å; V304-I371 HydrophobicContact CG1-CD1 3.69Å; V304-I371 HydrophobicContact CG1-CG1 3.72Å; V304-V428 HydrophobicContact CG2-CG1 4.11Å; V304-I432 HydrophobicContact CG2-CD1 3.91Å |
| 305 | V | 98.9 | Very high | 94.8 | Very high | 0 Ų | 0 | 33.4 Ų | 33.4 | 0% | 0 | 19% | 0.194 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -92.5 | 135.8 | 171.7 | -176.2 | 0 | 0 | 0 | 0 | 107.5 | I303 I356 L361 L362 T367 A369 F370 I371 | I303-V305 HydrophobicContact CD1-CG2 4.36Å; V305-I356 HydrophobicContact CG1-CD1 3.68Å; V305-L361 HydrophobicContact CG1-CB 4.43Å; V305-L361 HydrophobicContact CG1-CD1 4.44Å; V305-L361 HydrophobicContact CG2-CB 3.76Å; V305-L362 HydrophobicContact CB-CD2 4.17Å; V305-L362 HydrophobicContact CG1-CD2 4.48Å; V305-L362 HydrophobicContact CG2-CD2 4.23Å; V305-T367 HydrophobicContact CG2-CG2 4.11Å; V305-A369 PolarHBondContact N-O 2.87Å; V305-A369 VanDerWaalsContact N-O 3.17Å; V305-F370 HydrophobicContact CB-CD2 4.03Å; V305-F370 HydrophobicContact CG1-CD2 4.06Å; V305-F370 HydrophobicContact CG1-CE2 4.17Å; V305-F370 WeakPolarHBondContact O-CA 3.5Å; V305-F370 WeakPolarHBondContact O-CD2 3.37Å; V305-I371 PolarHBondContact O-N 3.01Å |
| 306 | F | 98.8 | Very high | 94.6 | Very high | 0 Ų | 0 | 35.8 Ų | 35.8 | 0% | 0 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.8 | 120.3 | 178.4 | 179.9 | -161.8 | 0 | 0 | 0 | 111.8 | L308 I323 L327 V334 L335 W336 R337 I371 I392 | F306-L308 HydrophobicContact CE2-CD1 4.37Å; F306-L308 HydrophobicContact CE2-CD2 3.73Å; F306-L308 HydrophobicContact CE2-CG 3.75Å; F306-L308 HydrophobicContact CZ-CD1 4.37Å; F306-L308 HydrophobicContact CZ-CD2 4.41Å; F306-L308 HydrophobicContact CZ-CG 4.24Å; F306-I323 HydrophobicContact CD1-CG2 4.48Å; F306-I323 HydrophobicContact CE1-CG2 3.45Å; F306-I323 VanDerWaalsContact CE1-CG2 3.45Å; F306-I323 HydrophobicContact CZ-CG2 4.04Å; F306-L327 HydrophobicContact CD1-CD1 3.84Å; F306-L327 HydrophobicContact CE1-CD1 4.13Å; F306-V334 HydrophobicContact CB-CG1 4.34Å; F306-L335 PolarHBondContact N-O 3.45Å; F306-W336 HydrophobicContact CB-CB 4.31Å; F306-W336 HydrophobicContact CB-CG 4.34Å; F306-W336 HydrophobicContact CD1-CB 4.12Å; F306-W336 AromaticContact CD1-CD1 3.24Å; F306-W336 AromaticContact CD1-CD2 3.67Å; F306-W336 HydrophobicContact CD1-CD2 3.67Å; F306-W336 AromaticContact CD1-CE2 3.69Å; F306-W336 HydrophobicContact CD1-CE3 4.47Å; F306-W336 AromaticContact CD1-CG 3.44Å; F306-W336 HydrophobicContact CD1-CG 3.44Å; F306-W336 VanDerWaalsContact CD1-CG 3.44Å; F306-W336 AromaticContact CD1-NE1 3.43Å; F306-W336 AromaticContact CE1-CD1 3.58Å; F306-W336 AromaticContact CE1-CD2 3.71Å; F306-W336 HydrophobicContact CE1-CD2 3.71Å; F306-W336 AromaticContact CE1-CE2 3.28Å; F306-W336 HydrophobicContact CE1-CE3 4.44Å; F306-W336 AromaticContact CE1-CG 3.93Å; F306-W336 HydrophobicContact CE1-CG 3.93Å; F306-W336 HydrophobicContact CE1-CH2 4.47Å; F306-W336 AromaticContact CE1-CZ2 3.73Å; F306-W336 HydrophobicContact CE1-CZ2 3.73Å; F306-W336 AromaticContact CE1-NE1 3.2Å; F306-W336 AromaticContact CG-CD1 3.63Å; F306-W336 HydrophobicContact CG-CG 4.1Å; F306-W336 HydrophobicContact CZ-CZ2 4.31Å; F306-W336 AromaticContact CZ-NE1 3.66Å; F306-W336 WeakPolarHBondContact O-CA 2.84Å; F306-R337 PolarHBondContact O-N 3.18Å; F306-I371 WeakPolarHBondContact CA-O 3.39Å; F306-I371 HydrophobicContact CB-CB 4.01Å; F306-I371 HydrophobicContact CB-CD1 4.39Å; F306-I371 HydrophobicContact CD2-CB 3.53Å; F306-I371 HydrophobicContact CD2-CG2 3.36Å; F306-I371 WeakPolarHBondContact CD2-O 3.4Å; F306-I371 HydrophobicContact CE2-CB 4.22Å; F306-I371 HydrophobicContact CE2-CG2 3.51Å; F306-I371 HydrophobicContact CG-CB 3.84Å; F306-I371 HydrophobicContact CG-CD1 4.31Å; F306-I371 HydrophobicContact CG-CG2 3.99Å; F306-I371 HydrophobicContact CZ-CG2 4.22Å; F306-I392 HydrophobicContact CE2-CD1 4.39Å; F306-I392 HydrophobicContact CZ-CD1 4.43Å |
| 307 | S | 97.9 | Very high | 94.6 | Very high | 5 Ų | 5 | 34.8 Ų | 34.8 | 4% | 0.035 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -147.7 | 133.4 | 178.6 | 178.3 | 0 | 0 | 0 | 0 | 111.8 | G309 Q358 I371 T372 H373 | S307-G309 VanDerWaalsContact C-N 3.35Å; S307-G309 PolarHBondContact OG-N 3.1Å; S307-Q358 PolarHBondContact OG-OE1 3.5Å; S307-I371 PolarHBondContact N-O 2.9Å; S307-T372 WeakPolarHBondContact O-CA 3.44Å; S307-H373 PolarHBondContact O-N 3.4Å |
| 308 | L | 95.8 | Very high | 94.5 | Very high | 10 Ų | 10 | 38.3 Ų | 38.3 | 5% | 0.052 | 22% | 0.219 | C | C | . | . | trans | -99 | 23.8 | 173.3 | -63 | 176.7 | 0 | 0 | 0 | 112.8 | F306 V312 V315 H373 I392 M394 | F306-L308 HydrophobicContact CE2-CD1 4.37Å; F306-L308 HydrophobicContact CE2-CD2 3.73Å; F306-L308 HydrophobicContact CE2-CG 3.75Å; F306-L308 HydrophobicContact CZ-CD1 4.37Å; F306-L308 HydrophobicContact CZ-CD2 4.41Å; F306-L308 HydrophobicContact CZ-CG 4.24Å; L308-V312 HydrophobicContact CB-CB 3.99Å; L308-V312 HydrophobicContact CB-CG1 4.16Å; L308-V312 HydrophobicContact CD1-CG1 4.16Å; L308-V315 HydrophobicContact CD1-CG1 4.23Å; L308-H373 HydrophobicContact CB-CB 4.31Å; L308-H373 HydrophobicContact CD2-CB 3.9Å; L308-H373 PolarHBondContact O-CD2 3.18Å; L308-I392 HydrophobicContact CD2-CB 4.34Å; L308-M394 HydrophobicContact CD1-CE 4.5Å; L308-M394 HydrophobicContact CD2-CG 4.43Å; L308-M394 HydrophobicContact CD2-SD 4.36Å | ||
| 309 | G | 91.4 | Very high | 94.4 | Very high | 11 Ų | 11 | 38.9 Ų | 38.9 | 11% | 0.113 | 22% | 0.22 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 84.4 | -165.3 | 176.8 | 0 | 0 | 0 | 0 | 0 | 114 | S307 R337 | S307-G309 VanDerWaalsContact C-N 3.35Å; S307-G309 PolarHBondContact OG-N 3.1Å; G309-R337 PolarHBondContact O-NH1 3.44Å |
| 310 | S | 85.5 | Confident | 94.5 | Very high | 16 Ų | 16 | 37.2 Ų | 37.2 | 11% | 0.112 | 20% | 0.203 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -84.6 | -32 | -174 | 52.8 | 0 | 0 | 0 | 0 | 113.7 | ||
| 311 | M | 85.8 | Confident | 94.5 | Very high | 50 Ų | 50 | 31 Ų | 31 | 25% | 0.246 | 17% | 0.17 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -86.4 | -34.9 | -173.1 | -65.7 | -175 | -100.1 | 0 | 0 | 113.3 | A31 F61 F88 I92 K313 F395 | A31-M311 HydrophobicContact CB-CE 4.26Å; A31-M311 HydrophobicContact CB-CG 4.08Å; A31-M311 HydrophobicContact CB-SD 4.09Å; F61-M311 HydrophobicContact CZ-CG 4.01Å; F88-M311 HydrophobicContact CD1-SD 4.49Å; I92-M311 HydrophobicContact CD1-CB 3.96Å; I92-M311 HydrophobicContact CD1-SD 4.33Å; M311-K313 PolarHBondContact O-N 3.36Å; M311-F395 HydrophobicContact CB-CZ 4.07Å; M311-F395 HydrophobicContact CE-CE2 3.59Å; M311-F395 HydrophobicContact CE-CZ 3.63Å; M311-F395 HydrophobicContact SD-CE2 4.19Å; M311-F395 HydrophobicContact SD-CZ 4.03Å |
| 312 | V | 88.7 | Confident | 94.6 | Very high | 9 Ų | 9 | 31.4 Ų | 31.4 | 6% | 0.055 | 17% | 0.167 | C | C | . | . | trans | -86.3 | 94.6 | 178.8 | -173.2 | 0 | 0 | 0 | 0 | 109.7 | M96 L308 N314 V315 R337 M394 F395 | M96-V312 HydrophobicContact CE-CG1 4.31Å; M96-V312 HydrophobicContact SD-CG2 3.91Å; L308-V312 HydrophobicContact CB-CB 3.99Å; L308-V312 HydrophobicContact CB-CG1 4.16Å; L308-V312 HydrophobicContact CD1-CG1 4.16Å; V312-N314 VanDerWaalsContact CG1-O 3.3Å; V312-N314 WeakPolarHBondContact CG1-O 3.45Å; V312-V315 HydrophobicContact CG1-CG1 4.27Å; V312-R337 PolarHBondContact O-NH1 2.94Å; V312-M394 HydrophobicContact CG2-CG 4.48Å; V312-F395 HydrophobicContact CG2-CD1 4.47Å; V312-F395 HydrophobicContact CG2-CE1 3.72Å | ||
| 313 | K | 85.9 | Confident | 94.6 | Very high | 110 Ų | 110 | 31.4 Ų | 31.4 | 48% | 0.478 | 17% | 0.167 | S | C | . | . | trans | -77.4 | -33.1 | 179 | -64.4 | 176.8 | -175.4 | 166.9 | 0 | 112.7 | M311 S339 | M311-K313 PolarHBondContact O-N 3.36Å; K313-S339 PolarHBondContact O-N 3.44Å | ||
| 314 | N | 89.8 | Confident | 94.6 | Very high | 87 Ų | 87 | 31.4 Ų | 31.4 | 47% | 0.465 | 17% | 0.167 | S | C | . | . | trans | -152.6 | 177.8 | -178.5 | 64.2 | 29.1 | 0 | 0 | 0 | 111 | V312 Y338 | V312-N314 VanDerWaalsContact CG1-O 3.3Å; V312-N314 WeakPolarHBondContact CG1-O 3.45Å; N314-Y338 HydrophobicContact CB-CE2 3.94Å | ||
| 315 | V | 93.5 | Very high | 94.5 | Very high | 9 Ų | 9 | 33 Ų | 33 | 6% | 0.055 | 18% | 0.178 | C | C | . | . | trans | -137.4 | 170.6 | 171.4 | -63 | 0 | 0 | 0 | 0 | 107.9 | L308 V312 K319 A320 I323 Y338 M394 F416 | L308-V315 HydrophobicContact CD1-CG1 4.23Å; V312-V315 HydrophobicContact CG1-CG1 4.27Å; V315-K319 HydrophobicContact CB-CB 4.28Å; V315-K319 HydrophobicContact CG2-CB 3.94Å; V315-A320 HydrophobicContact CG2-CB 3.93Å; V315-I323 HydrophobicContact CG2-CD1 4.29Å; V315-Y338 HydrophobicContact CG2-CE2 4.32Å; V315-M394 HydrophobicContact CG1-CE 4.39Å; V315-F416 HydrophobicContact CB-CE2 4.41Å; V315-F416 HydrophobicContact CB-CZ 4.26Å; V315-F416 HydrophobicContact CG1-CE2 3.88Å; V315-F416 HydrophobicContact CG1-CZ 3.95Å | ||
| 316 | S | 94.5 | Very high | 94.5 | Very high | 49 Ų | 49 | 33.1 Ų | 33.1 | 34% | 0.343 | 18% | 0.178 | S | C | . | . | trans | -52.6 | 148.2 | 176.5 | 72 | 0 | 0 | 0 | 0 | 112 | E318 K319 A320 | S316-E318 PolarHBondContact O-N 2.94Å; S316-K319 PolarHBondContact O-N 3.32Å; S316-K319 WeakPolarHBondContact OG-CB 3.18Å; S316-K319 WeakPolarHBondContact OG-CG 3.3Å; S316-K319 PolarHBondContact OG-N 3.26Å; S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 3.45Å | ||
| 317 | T | 96.3 | Very high | 94.5 | Very high | 69 Ų | 69 | 33.1 Ų | 33.1 | 42% | 0.423 | 18% | 0.179 | S | C | . | . | H | α-helix | trans | -54.9 | -39.3 | -179 | -54.5 | 0 | 0 | 0 | 0 | 112.1 | A320 N321 | T317-A320 PolarHBondContact O-N 3.39Å; T317-N321 WeakPolarHBondContact O-CB 3.33Å; T317-N321 PolarHBondContact O-N 3.11Å; T317-N321 PolarHBondContact O-ND2 3.48Å |
| 318 | E | 96.1 | Very high | 94.6 | Very high | 142 Ų | 142 | 34.9 Ų | 34.9 | 66% | 0.664 | 19% | 0.194 | S | C | * | . | H | α-helix | trans | -60.3 | -51 | 175.3 | -173.2 | -170.6 | 160 | 0 | 0 | 111.9 | S316 A320 N321 M322 | S316-E318 PolarHBondContact O-N 2.94Å; E318-A320 VanDerWaalsContact C-N 3.34Å; E318-A320 PolarHBondContact O-N 2.98Å; E318-N321 PolarHBondContact O-N 3.05Å; E318-M322 WeakPolarHBondContact O-CB 3.49Å; E318-M322 PolarHBondContact O-N 2.88Å |
| 319 | K | 96.3 | Very high | 94.7 | Very high | 24 Ų | 24 | 38.8 Ų | 38.8 | 10% | 0.104 | 21% | 0.212 | C | C | . | . | H | α-helix | trans | -64.6 | -39.2 | 178.2 | -72.6 | -71.1 | -179.3 | 176.2 | 0 | 111.4 | V315 S316 M322 I323 F416 N417 M419 | V315-K319 HydrophobicContact CB-CB 4.28Å; V315-K319 HydrophobicContact CG2-CB 3.94Å; S316-K319 PolarHBondContact O-N 3.32Å; S316-K319 WeakPolarHBondContact OG-CB 3.18Å; S316-K319 WeakPolarHBondContact OG-CG 3.3Å; S316-K319 PolarHBondContact OG-N 3.26Å; K319-M322 HydrophobicContact CD-CE 4.3Å; K319-M322 HydrophobicContact CD-SD 4.3Å; K319-M322 PolarHBondContact O-N 3.37Å; K319-I323 WeakPolarHBondContact O-CB 3.38Å; K319-I323 WeakPolarHBondContact O-CD1 3.39Å; K319-I323 WeakPolarHBondContact O-CG1 3.38Å; K319-I323 PolarHBondContact O-N 3.16Å; K319-F416 HydrophobicContact CB-CE2 4.47Å; K319-F416 HydrophobicContact CB-CZ 4.45Å; K319-F416 HydrophobicContact CD-CE2 4.47Å; K319-F416 HydrophobicContact CD-CZ 4.49Å; K319-F416 HydrophobicContact CG-CE2 4.41Å; K319-F416 HydrophobicContact CG-CZ 4.13Å; K319-F416 PolarHBondContact NZ-O 3.4Å; K319-N417 PolarHBondContact NZ-O 2.96Å; K319-M419 HydrophobicContact CD-CE 3.99Å |
| 320 | A | 97.8 | Very high | 95 | Very high | 1 Ų | 1 | 38.7 Ų | 38.7 | 1% | 0.008 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -63.4 | -42.1 | 177.8 | 0 | 0 | 0 | 0 | 0 | 111.7 | V315 S316 T317 E318 A324 Y338 P343 | V315-A320 HydrophobicContact CG2-CB 3.93Å; S316-A320 WeakPolarHBondContact O-CB 3.35Å; S316-A320 PolarHBondContact O-N 3.45Å; T317-A320 PolarHBondContact O-N 3.39Å; E318-A320 VanDerWaalsContact C-N 3.34Å; E318-A320 PolarHBondContact O-N 2.98Å; A320-A324 VanDerWaalsContact O-CB 3.22Å; A320-A324 WeakPolarHBondContact O-CB 3.29Å; A320-A324 PolarHBondContact O-N 2.91Å; A320-Y338 HydrophobicContact CB-CE2 4.35Å; A320-Y338 WeakPolarHBondContact CB-OH 3.46Å; A320-P343 HydrophobicContact CB-CG 4Å |
| 321 | N | 98.3 | Very high | 95.6 | Very high | 28 Ų | 28 | 42.2 Ų | 42.2 | 15% | 0.15 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -67.6 | -40.7 | 174.7 | -78.7 | -33.8 | 0 | 0 | 0 | 112.6 | T317 E318 A324 S325 P343 E344 T345 | T317-N321 WeakPolarHBondContact O-CB 3.33Å; T317-N321 PolarHBondContact O-N 3.11Å; T317-N321 PolarHBondContact O-ND2 3.48Å; E318-N321 PolarHBondContact O-N 3.05Å; N321-A324 PolarHBondContact O-N 3.13Å; N321-S325 WeakPolarHBondContact O-CB 3.37Å; N321-S325 PolarHBondContact O-N 3.3Å; N321-S325 PolarHBondContact O-OG 3.14Å; N321-P343 VanDerWaalsContact OD1-CA 3.31Å; N321-P343 WeakPolarHBondContact OD1-CA 3.25Å; N321-P343 WeakPolarHBondContact OD1-CB 3.19Å; N321-E344 PolarHBondContact OD1-N 3.44Å; N321-T345 WeakPolarHBondContact CA-OG1 3.33Å; N321-T345 HydrophobicContact CB-CG2 4.49Å; N321-T345 PolarHBondContact O-OG1 2.73Å |
| 322 | M | 98.4 | Very high | 96.3 | Very high | 38 Ų | 38 | 40.3 Ų | 40.3 | 19% | 0.187 | 22% | 0.221 | C | C | . | . | H | α-helix | trans | -59.2 | -49.8 | 174.2 | 176.2 | -161.5 | -70.6 | 0 | 0 | 111.2 | E318 K319 S325 A326 M419 | E318-M322 WeakPolarHBondContact O-CB 3.49Å; E318-M322 PolarHBondContact O-N 2.88Å; K319-M322 HydrophobicContact CD-CE 4.3Å; K319-M322 HydrophobicContact CD-SD 4.3Å; K319-M322 PolarHBondContact O-N 3.37Å; M322-S325 WeakPolarHBondContact O-CB 3.26Å; M322-S325 PolarHBondContact O-N 3.22Å; M322-A326 PolarHBondContact O-N 3.05Å; M322-A326 VanDerWaalsContact O-N 3.14Å; M322-M419 WeakPolarHBondContact CE-O 3.18Å; M322-M419 HydrophobicContact SD-CG 3.83Å |
| 323 | I | 98.6 | Very high | 96.7 | Very high | 2 Ų | 2 | 42.1 Ų | 42.1 | 1% | 0.01 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -60 | -49.5 | 177.4 | -70.6 | 167.1 | 0 | 0 | 0 | 110.2 | F306 V315 K319 S325 A326 L327 W336 M419 L424 | F306-I323 HydrophobicContact CD1-CG2 4.48Å; F306-I323 HydrophobicContact CE1-CG2 3.45Å; F306-I323 VanDerWaalsContact CE1-CG2 3.45Å; F306-I323 HydrophobicContact CZ-CG2 4.04Å; V315-I323 HydrophobicContact CG2-CD1 4.29Å; K319-I323 WeakPolarHBondContact O-CB 3.38Å; K319-I323 WeakPolarHBondContact O-CD1 3.39Å; K319-I323 WeakPolarHBondContact O-CG1 3.38Å; K319-I323 PolarHBondContact O-N 3.16Å; I323-S325 VanDerWaalsContact C-N 3.3Å; I323-S325 PolarHBondContact O-N 2.66Å; I323-A326 WeakPolarHBondContact O-CB 3.24Å; I323-A326 PolarHBondContact O-N 3.08Å; I323-L327 HydrophobicContact CG2-CD1 3.94Å; I323-L327 HydrophobicContact CG2-CG 4.35Å; I323-L327 WeakPolarHBondContact O-CG 3.47Å; I323-L327 PolarHBondContact O-N 3.31Å; I323-W336 HydrophobicContact CB-CH2 4.07Å; I323-W336 HydrophobicContact CG2-CH2 3.53Å; I323-W336 HydrophobicContact CG2-CZ2 3.79Å; I323-W336 HydrophobicContact CG2-CZ3 4Å; I323-M419 HydrophobicContact CD1-CE 3.67Å; I323-M419 HydrophobicContact CG1-CE 3.64Å; I323-L424 HydrophobicContact CB-CD2 4.41Å; I323-L424 HydrophobicContact CG1-CD2 4.22Å; I323-L424 HydrophobicContact CG2-CD2 4.17Å |
| 324 | A | 98.7 | Very high | 97.3 | Very high | 0 Ų | 0 | 36.9 Ų | 36.9 | 0% | 0 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -58.9 | -40.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.5 | A320 N321 A326 L327 A328 W336 P343 L346 | A320-A324 VanDerWaalsContact O-CB 3.22Å; A320-A324 WeakPolarHBondContact O-CB 3.29Å; A320-A324 PolarHBondContact O-N 2.91Å; N321-A324 PolarHBondContact O-N 3.13Å; A324-A326 VanDerWaalsContact C-N 3.28Å; A324-A326 PolarHBondContact O-N 2.78Å; A324-L327 PolarHBondContact O-N 3.41Å; A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 3.47Å; A324-W336 HydrophobicContact CB-CZ3 4.17Å; A324-P343 HydrophobicContact CB-CB 3.54Å; A324-P343 HydrophobicContact CB-CG 4Å; A324-L346 HydrophobicContact CB-CD1 4.29Å |
| 325 | S | 98.7 | Very high | 97.8 | Very high | 34 Ų | 34 | 32.8 Ų | 32.8 | 24% | 0.238 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -62.3 | -33.6 | 174.5 | -64.8 | 0 | 0 | 0 | 0 | 112.8 | N321 M322 I323 Q329 T345 | N321-S325 WeakPolarHBondContact O-CB 3.37Å; N321-S325 PolarHBondContact O-N 3.3Å; N321-S325 PolarHBondContact O-OG 3.14Å; M322-S325 WeakPolarHBondContact O-CB 3.26Å; M322-S325 PolarHBondContact O-N 3.22Å; I323-S325 VanDerWaalsContact C-N 3.3Å; I323-S325 PolarHBondContact O-N 2.66Å; S325-Q329 WeakPolarHBondContact O-CG 3.24Å; S325-Q329 PolarHBondContact O-NE2 2.9Å; S325-T345 VanDerWaalsContact OG-CB 3.23Å; S325-T345 WeakPolarHBondContact OG-CB 3.42Å; S325-T345 WeakPolarHBondContact OG-CG2 3.25Å; S325-T345 PolarHBondContact OG-OG1 3.03Å |
| 326 | A | 98.8 | Very high | 98 | Very high | 1 Ų | 1 | 32.4 Ų | 32.4 | 1% | 0.008 | 18% | 0.181 | C | C | . | . | H | α-helix | trans | -72.3 | -46.7 | 177.2 | 0 | 0 | 0 | 0 | 0 | 110.5 | M322 I323 A324 A328 Q329 T421 L424 R425 | M322-A326 PolarHBondContact O-N 3.05Å; M322-A326 VanDerWaalsContact O-N 3.14Å; I323-A326 WeakPolarHBondContact O-CB 3.24Å; I323-A326 PolarHBondContact O-N 3.08Å; A324-A326 VanDerWaalsContact C-N 3.28Å; A324-A326 PolarHBondContact O-N 2.78Å; A326-A328 VanDerWaalsContact C-N 3.29Å; A326-A328 PolarHBondContact O-N 3.5Å; A326-Q329 WeakPolarHBondContact O-CB 3.35Å; A326-Q329 PolarHBondContact O-N 3.34Å; A326-Q329 VanDerWaalsContact O-N 3.15Å; A326-T421 HydrophobicContact CB-CG2 3.97Å; A326-T421 WeakPolarHBondContact CB-O 3.42Å; A326-L424 HydrophobicContact CB-CB 4.05Å; A326-L424 HydrophobicContact CB-CD2 4.01Å; A326-L424 HydrophobicContact CB-CG 4.12Å; A326-R425 HydrophobicContact CB-CB 4.42Å |
| 327 | L | 98.8 | Very high | 98.2 | Very high | 1 Ų | 1 | 30.9 Ų | 30.9 | 1% | 0.005 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -62.7 | -36.8 | 178.9 | -61.4 | 175.7 | 0 | 0 | 0 | 111.8 | F306 I323 A324 Q329 L330 V334 W336 N349 T350 I371 | F306-L327 HydrophobicContact CD1-CD1 3.84Å; F306-L327 HydrophobicContact CE1-CD1 4.13Å; I323-L327 HydrophobicContact CG2-CD1 3.94Å; I323-L327 HydrophobicContact CG2-CG 4.35Å; I323-L327 WeakPolarHBondContact O-CG 3.47Å; I323-L327 PolarHBondContact O-N 3.31Å; A324-L327 PolarHBondContact O-N 3.41Å; L327-Q329 PolarHBondContact O-N 2.93Å; L327-L330 HydrophobicContact CD2-CD1 3.96Å; L327-L330 WeakPolarHBondContact O-CB 3.43Å; L327-L330 PolarHBondContact O-N 3.27Å; L327-L330 VanDerWaalsContact O-N 3.08Å; L327-V334 HydrophobicContact CB-CG2 4.36Å; L327-V334 HydrophobicContact CD1-CG1 4.12Å; L327-V334 HydrophobicContact CD2-CG1 4.12Å; L327-V334 HydrophobicContact CD2-CG2 4.34Å; L327-W336 HydrophobicContact CD1-CD2 4.22Å; L327-W336 HydrophobicContact CD1-CE3 3.7Å; L327-W336 HydrophobicContact CD1-CZ3 4.05Å; L327-N349 PolarHBondContact O-ND2 2.96Å; L327-T350 HydrophobicContact CD1-CG2 4.31Å; L327-I371 HydrophobicContact CD2-CD1 3.66Å |
| 328 | A | 98.6 | Very high | 98.2 | Very high | 42 Ų | 42 | 28.3 Ų | 28.3 | 35% | 0.347 | 15% | 0.151 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -62.3 | -21.9 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.8 | A324 A326 N349 | A324-A328 WeakPolarHBondContact O-CB 3.28Å; A324-A328 PolarHBondContact O-N 3.47Å; A326-A328 VanDerWaalsContact C-N 3.29Å; A326-A328 PolarHBondContact O-N 3.5Å; A328-N349 WeakPolarHBondContact CA-OD1 3.47Å |
| 329 | Q | 98.5 | Very high | 98.1 | Very high | 92 Ų | 92 | 23.8 Ų | 23.8 | 43% | 0.43 | 14% | 0.135 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -87.4 | -5.8 | 178.1 | -66.6 | 173.8 | 52.8 | 0 | 0 | 113.1 | S325 A326 L327 T421 R425 | S325-Q329 WeakPolarHBondContact O-CG 3.24Å; S325-Q329 PolarHBondContact O-NE2 2.9Å; A326-Q329 WeakPolarHBondContact O-CB 3.35Å; A326-Q329 PolarHBondContact O-N 3.34Å; A326-Q329 VanDerWaalsContact O-N 3.15Å; L327-Q329 PolarHBondContact O-N 2.93Å; Q329-T421 VanDerWaalsContact NE2-CG2 3.32Å; Q329-R425 HydrophobicContact CB-CG 4.25Å; Q329-R425 VanDerWaalsContact OE1-CD 3.26Å |
| 330 | L | 98.5 | Very high | 97.9 | Very high | 8 Ų | 8 | 23.7 Ų | 23.7 | 4% | 0.042 | 14% | 0.14 | C | C | . | . | trans | -82.8 | 140.5 | 179 | -59.2 | 176.7 | 0 | 0 | 0 | 110.9 | L327 Q332 V334 N349 R425 V428 | L327-L330 HydrophobicContact CD2-CD1 3.96Å; L327-L330 WeakPolarHBondContact O-CB 3.43Å; L327-L330 PolarHBondContact O-N 3.27Å; L327-L330 VanDerWaalsContact O-N 3.08Å; L330-Q332 PolarHBondContact O-N 2.98Å; L330-V334 HydrophobicContact CD1-CG2 4.24Å; L330-N349 PolarHBondContact O-ND2 2.91Å; L330-R425 HydrophobicContact CD2-CG 4.19Å; L330-V428 HydrophobicContact CD1-CB 4.38Å; L330-V428 HydrophobicContact CD1-CG1 3.8Å; L330-V428 HydrophobicContact CD2-CB 4.15Å; L330-V428 HydrophobicContact CD2-CG1 3.92Å | ||
| 331 | P | 97.9 | Very high | 97.8 | Very high | 91 Ų | 91 | 29.8 Ų | 29.8 | 59% | 0.591 | 17% | 0.169 | S | C | * | . | S | Bend | trans | -71.3 | -17.9 | 171.5 | 28.5 | -33.2 | 0 | 0 | 0 | 112.7 | A301 | A301-P331 HydrophobicContact CB-CB 4.29Š|
| 332 | Q | 98.8 | Very high | 97.7 | Very high | 10 Ų | 10 | 35.4 Ų | 35.4 | 5% | 0.047 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -71 | 155.2 | 178.1 | -70.8 | 73.9 | 30.2 | 0 | 0 | 112.5 | A301 G302 V304 L330 N349 I432 | A301-Q332 WeakPolarHBondContact O-CG 3.39Å; A301-Q332 PolarHBondContact O-NE2 2.95Å; G302-Q332 WeakPolarHBondContact O-CA 3.26Å; G302-Q332 WeakPolarHBondContact O-CB 3.28Å; G302-Q332 WeakPolarHBondContact O-CG 3.36Å; V304-Q332 HydrophobicContact CG2-CB 3.89Å; V304-Q332 HydrophobicContact CG2-CG 3.97Å; L330-Q332 PolarHBondContact O-N 2.98Å; Q332-N349 PolarHBondContact O-ND2 2.85Å; Q332-I432 HydrophobicContact CG-CD1 4.15Å |
| 333 | K | 98.8 | Very high | 97.7 | Very high | 47 Ų | 47 | 33.8 Ų | 33.8 | 20% | 0.204 | 18% | 0.184 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -78 | 139.5 | 158.9 | -63.7 | -60.4 | -170 | -178.4 | 0 | 109.6 | F294 S297 G302 I303 V304 N349 | F294-K333 HydrophobicContact CD1-CB 4.49Å; F294-K333 HydrophobicContact CE1-CB 3.88Å; F294-K333 HydrophobicContact CE2-CB 4.42Å; F294-K333 HydrophobicContact CE2-CD 3.75Å; F294-K333 HydrophobicContact CE2-CG 4.27Å; F294-K333 HydrophobicContact CZ-CB 3.85Å; F294-K333 HydrophobicContact CZ-CD 3.85Å; F294-K333 HydrophobicContact CZ-CG 4.18Å; S297-K333 WeakPolarHBondContact OG-CE 3.46Å; G302-K333 PolarHBondContact O-N 3.18Å; G302-K333 VanDerWaalsContact O-N 3.16Å; I303-K333 CarbonylContact C-O 3.52Å; I303-K333 WeakPolarHBondContact CA-O 3.35Å; I303-K333 HydrophobicContact CG2-CB 4.21Å; V304-K333 PolarHBondContact N-O 2.79Å; K333-N349 CarbonylContact C-O 3.51Å; K333-N349 VanDerWaalsContact CA-O 3.27Å; K333-N349 WeakPolarHBondContact CA-O 3.15Å; K333-N349 HydrophobicContact CD-CB 4.13Å |
| 334 | V | 98.9 | Very high | 97.7 | Very high | 0 Ų | 0 | 41.5 Ų | 41.5 | 0% | 0 | 22% | 0.22 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -117.4 | 126.4 | -177.5 | -172.2 | 0 | 0 | 0 | 0 | 109.8 | V304 F306 L327 L330 N349 T350 R351 | V304-V334 HydrophobicContact CB-CG1 4.45Å; V304-V334 HydrophobicContact CB-CG2 4.28Å; V304-V334 WeakPolarHBondContact O-CA 3.29Å; F306-V334 HydrophobicContact CB-CG1 4.34Å; L327-V334 HydrophobicContact CB-CG2 4.36Å; L327-V334 HydrophobicContact CD1-CG1 4.12Å; L327-V334 HydrophobicContact CD2-CG1 4.12Å; L327-V334 HydrophobicContact CD2-CG2 4.34Å; L330-V334 HydrophobicContact CD1-CG2 4.24Å; V334-N349 PolarHBondContact N-O 2.88Å; V334-T350 HydrophobicContact CB-CG2 3.97Å; V334-T350 HydrophobicContact CG1-CG2 4.21Å; V334-T350 CarbonylContact O-C 3.46Å; V334-T350 WeakPolarHBondContact O-CA 3.07Å; V334-R351 PolarHBondContact O-N 3.43Å |
| 335 | L | 98.8 | Very high | 97.6 | Very high | 0 Ų | 0 | 44.2 Ų | 44.2 | 0% | 0 | 24% | 0.237 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.9 | 108.7 | 170.4 | -66.2 | 92.2 | 0 | 0 | 0 | 108 | M291 F294 V295 I303 V304 F306 Y353 L361 | M291-L335 HydrophobicContact CE-CD2 4.3Å; M291-L335 HydrophobicContact CG-CD2 3.58Å; M291-L335 HydrophobicContact SD-CD2 3.92Å; F294-L335 HydrophobicContact CD1-CD1 4.1Å; F294-L335 HydrophobicContact CD1-CD2 4.4Å; F294-L335 HydrophobicContact CD1-CG 4.01Å; F294-L335 HydrophobicContact CE1-CD1 4.12Å; F294-L335 HydrophobicContact CE1-CG 4.03Å; V295-L335 HydrophobicContact CG2-CD1 3.98Å; V295-L335 HydrophobicContact CG2-CD2 4.26Å; I303-L335 HydrophobicContact CB-CD1 4.14Å; I303-L335 HydrophobicContact CD1-CD1 3.96Å; I303-L335 HydrophobicContact CG2-CD1 4.28Å; V304-L335 PolarHBondContact O-N 2.91Å; F306-L335 PolarHBondContact N-O 3.45Å; L335-Y353 HydrophobicContact CB-CD2 4.48Å; L335-Y353 HydrophobicContact CB-CE2 4.23Å; L335-Y353 HydrophobicContact CD2-CE2 3.84Å; L335-Y353 HydrophobicContact CG-CE2 4.11Å; L335-L361 HydrophobicContact CB-CD1 4.44Å; L335-L361 HydrophobicContact CD1-CD2 4.44Å; L335-L361 HydrophobicContact CD2-CD1 4.07Å; L335-L361 HydrophobicContact CD2-CD2 3.72Å |
| 336 | W | 98.6 | Very high | 97.6 | Very high | 2 Ų | 2 | 44.4 Ų | 44.4 | 1% | 0.008 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.3 | 116.5 | -173.3 | -178.5 | 12.5 | 0 | 0 | 0 | 110.9 | F306 I323 A324 L327 Y338 P343 L346 T350 R351 L352 Y353 | F306-W336 HydrophobicContact CB-CB 4.31Å; F306-W336 HydrophobicContact CB-CG 4.34Å; F306-W336 HydrophobicContact CD1-CB 4.12Å; F306-W336 AromaticContact CD1-CD1 3.24Å; F306-W336 AromaticContact CD1-CD2 3.67Å; F306-W336 HydrophobicContact CD1-CD2 3.67Å; F306-W336 AromaticContact CD1-CE2 3.69Å; F306-W336 HydrophobicContact CD1-CE3 4.47Å; F306-W336 AromaticContact CD1-CG 3.44Å; F306-W336 HydrophobicContact CD1-CG 3.44Å; F306-W336 VanDerWaalsContact CD1-CG 3.44Å; F306-W336 AromaticContact CD1-NE1 3.43Å; F306-W336 AromaticContact CE1-CD1 3.58Å; F306-W336 AromaticContact CE1-CD2 3.71Å; F306-W336 HydrophobicContact CE1-CD2 3.71Å; F306-W336 AromaticContact CE1-CE2 3.28Å; F306-W336 HydrophobicContact CE1-CE3 4.44Å; F306-W336 AromaticContact CE1-CG 3.93Å; F306-W336 HydrophobicContact CE1-CG 3.93Å; F306-W336 HydrophobicContact CE1-CH2 4.47Å; F306-W336 AromaticContact CE1-CZ2 3.73Å; F306-W336 HydrophobicContact CE1-CZ2 3.73Å; F306-W336 AromaticContact CE1-NE1 3.2Å; F306-W336 AromaticContact CG-CD1 3.63Å; F306-W336 HydrophobicContact CG-CG 4.1Å; F306-W336 HydrophobicContact CZ-CZ2 4.31Å; F306-W336 AromaticContact CZ-NE1 3.66Å; F306-W336 WeakPolarHBondContact O-CA 2.84Å; I323-W336 HydrophobicContact CB-CH2 4.07Å; I323-W336 HydrophobicContact CG2-CH2 3.53Å; I323-W336 HydrophobicContact CG2-CZ2 3.79Å; I323-W336 HydrophobicContact CG2-CZ3 4Å; A324-W336 HydrophobicContact CB-CZ3 4.17Å; L327-W336 HydrophobicContact CD1-CD2 4.22Å; L327-W336 HydrophobicContact CD1-CE3 3.7Å; L327-W336 HydrophobicContact CD1-CZ3 4.05Å; W336-Y338 AromaticContact CE2-CD2 3.94Å; W336-Y338 HydrophobicContact CH2-CD2 4.44Å; W336-Y338 AromaticContact CZ2-CD2 3.69Å; W336-Y338 HydrophobicContact CZ2-CD2 3.69Å; W336-Y338 HydrophobicContact CZ2-CE2 4.17Å; W336-Y338 HydrophobicContact CZ2-CG 4.09Å; W336-Y338 PolarHBondContact O-N 3.12Å; W336-P343 HydrophobicContact CH2-CG 4.2Å; W336-P343 HydrophobicContact CZ3-CG 4.07Å; W336-L346 HydrophobicContact CE3-CD1 4.32Å; W336-L346 HydrophobicContact CZ3-CD1 4.34Å; W336-T350 HydrophobicContact CB-CG2 4.19Å; W336-T350 HydrophobicContact CE3-CG2 4.22Å; W336-R351 PolarHBondContact N-O 2.97Å; W336-L352 HydrophobicContact CB-CD2 4.02Å; W336-L352 HydrophobicContact CD2-CD2 3.81Å; W336-L352 HydrophobicContact CE3-CD2 3.45Å; W336-L352 VanDerWaalsContact CE3-CD2 3.45Å; W336-L352 HydrophobicContact CG-CD2 4.1Å; W336-L352 HydrophobicContact CZ3-CD2 4.18Å; W336-L352 CarbonylContact O-C 3.54Å; W336-L352 WeakPolarHBondContact O-CA 3.29Å; W336-Y353 PolarHBondContact O-N 3.24Å |
| 337 | R | 97.6 | Very high | 97.6 | Very high | 17 Ų | 17 | 45.1 Ų | 45.1 | 6% | 0.064 | 24% | 0.243 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -72.1 | 110.2 | 168.1 | -171.7 | -91.3 | 165 | 172 | -2.3 | 109.6 | F306 G309 V312 Y353 N354 I356 | F306-R337 PolarHBondContact O-N 3.18Å; G309-R337 PolarHBondContact O-NH1 3.44Å; V312-R337 PolarHBondContact O-NH1 2.94Å; R337-Y353 CarbonylContact C-O 3.56Å; R337-Y353 VanDerWaalsContact CA-O 3.26Å; R337-Y353 WeakPolarHBondContact CA-O 3.38Å; R337-N354 PolarHBondContact NE-O 2.71Å; R337-I356 HydrophobicContact CB-CD1 4.07Å; R337-I356 HydrophobicContact CB-CG1 4.09Å; R337-I356 HydrophobicContact CB-CG2 4.27Å |
| 338 | Y | 96.9 | Very high | 97.5 | Very high | 14 Ų | 14 | 50.7 Ų | 50.7 | 6% | 0.055 | 28% | 0.282 | C | S | . | . | trans | -158.9 | 130.4 | -177.2 | -176 | -100.8 | 0 | 0 | 0 | 110.7 | N314 V315 A320 W336 G340 Q341 L352 Y353 | N314-Y338 HydrophobicContact CB-CE2 3.94Å; V315-Y338 HydrophobicContact CG2-CE2 4.32Å; A320-Y338 HydrophobicContact CB-CE2 4.35Å; A320-Y338 WeakPolarHBondContact CB-OH 3.46Å; W336-Y338 AromaticContact CE2-CD2 3.94Å; W336-Y338 HydrophobicContact CH2-CD2 4.44Å; W336-Y338 AromaticContact CZ2-CD2 3.69Å; W336-Y338 HydrophobicContact CZ2-CD2 3.69Å; W336-Y338 HydrophobicContact CZ2-CE2 4.17Å; W336-Y338 HydrophobicContact CZ2-CG 4.09Å; W336-Y338 PolarHBondContact O-N 3.12Å; Y338-G340 WeakPolarHBondContact CE1-O 3.32Å; Y338-Q341 VanDerWaalsContact CE1-O 3.3Å; Y338-Q341 WeakPolarHBondContact CE1-O 3.37Å; Y338-Q341 PolarHBondContact OH-O 2.88Å; Y338-L352 HydrophobicContact CD1-CD1 4.19Å; Y338-Y353 PolarHBondContact N-O 2.89Å | ||
| 339 | S | 93.3 | Very high | 97.5 | Very high | 48 Ų | 48 | 49.5 Ų | 49.5 | 34% | 0.336 | 27% | 0.269 | S | S | . | . | trans | -118.5 | 11.9 | -178.4 | -65.2 | 0 | 0 | 0 | 0 | 113.4 | K313 N354 | K313-S339 PolarHBondContact O-N 3.44Å; S339-N354 WeakPolarHBondContact OG-CA 3.41Å; S339-N354 PolarHBondContact OG-OD1 2.77Å | ||
| 340 | G | 93.1 | Very high | 97.5 | Very high | 21 Ų | 21 | 45.5 Ų | 45.5 | 22% | 0.216 | 25% | 0.251 | C | S | . | . | S | Bend | trans | -84.5 | -171.6 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.4 | Y338 K342 | Y338-G340 WeakPolarHBondContact CE1-O 3.32Å; G340-K342 PolarHBondContact O-N 2.95Å |
| 341 | Q | 95.3 | Very high | 97.5 | Very high | 130 Ų | 130 | 49.2 Ų | 49.2 | 61% | 0.607 | 27% | 0.265 | S | S | * | . | S | Bend | trans | -60.5 | 128.5 | 172.6 | -176.8 | -178.7 | 1.7 | 0 | 0 | 110.3 | Y338 P343 | Y338-Q341 VanDerWaalsContact CE1-O 3.3Å; Y338-Q341 WeakPolarHBondContact CE1-O 3.37Å; Y338-Q341 PolarHBondContact OH-O 2.88Å; Q341-P343 WeakPolarHBondContact O-CD 3.32Å |
| 342 | K | 97.1 | Very high | 97.5 | Very high | 145 Ų | 145 | 47.2 Ų | 47.2 | 63% | 0.63 | 25% | 0.249 | S | C | * | . | P | Polyproline II helix | trans | -51.8 | 123.7 | 177.7 | -179.4 | -179.1 | 175.9 | -177.1 | 0 | 110.3 | G340 L346 L352 | G340-K342 PolarHBondContact O-N 2.95Å; K342-L346 HydrophobicContact CD-CD2 4.47Å; K342-L346 HydrophobicContact CG-CD2 4.2Å; K342-L352 HydrophobicContact CB-CD1 4.35Å; K342-L352 HydrophobicContact CG-CD1 4.06Å |
| 343 | P | 97.8 | Very high | 97.4 | Very high | 5 Ų | 5 | 48.7 Ų | 48.7 | 3% | 0.032 | 25% | 0.254 | C | S | . | . | P | Polyproline II helix | trans | -60.8 | 139.9 | 176.8 | -23.8 | 34.8 | 0 | 0 | 0 | 111.8 | A320 N321 A324 W336 Q341 T345 L346 | A320-P343 HydrophobicContact CB-CG 4Å; N321-P343 VanDerWaalsContact OD1-CA 3.31Å; N321-P343 WeakPolarHBondContact OD1-CA 3.25Å; N321-P343 WeakPolarHBondContact OD1-CB 3.19Å; A324-P343 HydrophobicContact CB-CB 3.54Å; A324-P343 HydrophobicContact CB-CG 4Å; W336-P343 HydrophobicContact CH2-CG 4.2Å; W336-P343 HydrophobicContact CZ3-CG 4.07Å; Q341-P343 WeakPolarHBondContact O-CD 3.32Å; P343-T345 VanDerWaalsContact C-N 3.26Å; P343-T345 PolarHBondContact O-N 3.22Å; P343-L346 HydrophobicContact CB-CB 4.42Å; P343-L346 WeakPolarHBondContact O-CB 3.47Å; P343-L346 PolarHBondContact O-N 3.49Å |
| 344 | E | 97.9 | Very high | 97.2 | Very high | 164 Ų | 164 | 51.9 Ų | 51.9 | 77% | 0.766 | 27% | 0.273 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.7 | -30.5 | 177.7 | -64.1 | -178.1 | 172.8 | 0 | 0 | 111.6 | N321 L346 | N321-E344 PolarHBondContact OD1-N 3.44Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 2.92Å |
| 345 | T | 98.2 | Very high | 97 | Very high | 56 Ų | 56 | 59.3 Ų | 59.3 | 34% | 0.344 | 30% | 0.302 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -91.3 | 15.5 | -179.9 | 56.1 | 0 | 0 | 0 | 0 | 113.5 | N321 S325 P343 G347 | N321-T345 WeakPolarHBondContact CA-OG1 3.33Å; N321-T345 HydrophobicContact CB-CG2 4.49Å; N321-T345 PolarHBondContact O-OG1 2.73Å; S325-T345 VanDerWaalsContact OG-CB 3.23Å; S325-T345 WeakPolarHBondContact OG-CB 3.42Å; S325-T345 WeakPolarHBondContact OG-CG2 3.25Å; S325-T345 PolarHBondContact OG-OG1 3.03Å; P343-T345 VanDerWaalsContact C-N 3.26Å; P343-T345 PolarHBondContact O-N 3.22Å; T345-G347 PolarHBondContact O-N 3.42Å; T345-G347 VanDerWaalsContact O-N 3.15Å |
| 346 | L | 98.3 | Very high | 96.9 | Very high | 39 Ų | 39 | 59.6 Ų | 59.6 | 20% | 0.204 | 30% | 0.303 | C | S | . | . | trans | -65.6 | 113.3 | -179.4 | -168.3 | 77.6 | 0 | 0 | 0 | 111.8 | A324 W336 K342 P343 E344 T350 L352 | A324-L346 HydrophobicContact CB-CD1 4.29Å; W336-L346 HydrophobicContact CE3-CD1 4.32Å; W336-L346 HydrophobicContact CZ3-CD1 4.34Å; K342-L346 HydrophobicContact CD-CD2 4.47Å; K342-L346 HydrophobicContact CG-CD2 4.2Å; P343-L346 HydrophobicContact CB-CB 4.42Å; P343-L346 WeakPolarHBondContact O-CB 3.47Å; P343-L346 PolarHBondContact O-N 3.49Å; E344-L346 VanDerWaalsContact C-N 3.31Å; E344-L346 PolarHBondContact O-N 2.92Å; L346-T350 HydrophobicContact CD1-CG2 3.7Å; L346-L352 HydrophobicContact CD1-CD2 3.89Å; L346-L352 HydrophobicContact CD1-CG 4.27Å; L346-L352 HydrophobicContact CD2-CD1 3.98Å; L346-L352 HydrophobicContact CD2-CD2 4.44Å; L346-L352 HydrophobicContact CD2-CG 3.91Å | ||
| 347 | G | 97.8 | Very high | 96.8 | Very high | 16 Ų | 16 | 61.2 Ų | 61.2 | 17% | 0.165 | 31% | 0.314 | C | S | . | . | trans | -69 | 154 | 176.2 | 0 | 0 | 0 | 0 | 0 | 113.7 | T345 N349 T350 | T345-G347 PolarHBondContact O-N 3.42Å; T345-G347 VanDerWaalsContact O-N 3.15Å; G347-N349 PolarHBondContact O-N 3.47Å; G347-N349 VanDerWaalsContact O-N 3.15Å; G347-T350 PolarHBondContact O-N 3.39Å | ||
| 348 | S | 97.1 | Very high | 96.8 | Very high | 118 Ų | 118 | 62 Ų | 62 | 83% | 0.825 | 32% | 0.318 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -67.1 | -11.1 | 178.4 | 62.4 | 0 | 0 | 0 | 0 | 114.2 | T350 | S348-T350 VanDerWaalsContact C-N 3.34Š|
| 349 | N | 98.3 | Very high | 96.9 | Very high | 16 Ų | 16 | 61.7 Ų | 61.7 | 9% | 0.086 | 32% | 0.317 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -82.7 | -8.8 | 172.5 | 72.4 | -43.6 | 0 | 0 | 0 | 113.2 | F294 L327 A328 L330 Q332 K333 V334 G347 | F294-N349 WeakPolarHBondContact CZ-O 3.43Å; L327-N349 PolarHBondContact O-ND2 2.96Å; A328-N349 WeakPolarHBondContact CA-OD1 3.47Å; L330-N349 PolarHBondContact O-ND2 2.91Å; Q332-N349 PolarHBondContact O-ND2 2.85Å; K333-N349 CarbonylContact C-O 3.51Å; K333-N349 VanDerWaalsContact CA-O 3.27Å; K333-N349 WeakPolarHBondContact CA-O 3.15Å; K333-N349 HydrophobicContact CD-CB 4.13Å; V334-N349 PolarHBondContact N-O 2.88Å; G347-N349 PolarHBondContact O-N 3.47Å; G347-N349 VanDerWaalsContact O-N 3.15Å |
| 350 | T | 98.6 | Very high | 97.1 | Very high | 8 Ų | 8 | 60.4 Ų | 60.4 | 5% | 0.049 | 31% | 0.307 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.1 | 131.9 | -176.4 | -55.9 | 0 | 0 | 0 | 0 | 111.3 | L327 V334 W336 L346 G347 S348 L352 | L327-T350 HydrophobicContact CD1-CG2 4.31Å; V334-T350 HydrophobicContact CB-CG2 3.97Å; V334-T350 HydrophobicContact CG1-CG2 4.21Å; V334-T350 CarbonylContact O-C 3.46Å; V334-T350 WeakPolarHBondContact O-CA 3.07Å; W336-T350 HydrophobicContact CB-CG2 4.19Å; W336-T350 HydrophobicContact CE3-CG2 4.22Å; L346-T350 HydrophobicContact CD1-CG2 3.7Å; G347-T350 PolarHBondContact O-N 3.39Å; S348-T350 VanDerWaalsContact C-N 3.34Å; T350-L352 HydrophobicContact CG2-CD2 4.49Å |
| 351 | R | 98.3 | Very high | 97.4 | Very high | 86 Ų | 86 | 59.4 Ų | 59.4 | 33% | 0.325 | 30% | 0.296 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -114.1 | 137.3 | 170 | -77.7 | -173.4 | -174.3 | -177 | 9 | 110.6 | E290 F294 V334 W336 Y353 | E290-R351 PolarHBondContact O-NH1 3.43Å; E290-R351 IonicContact OE1-NH1 3.21Å; F294-R351 HydrophobicContact CD1-CB 4.37Å; F294-R351 HydrophobicContact CD1-CG 4.2Å; F294-R351 HydrophobicContact CD2-CG 4.08Å; F294-R351 VanDerWaalsContact CD2-CZ 3.43Å; F294-R351 HydrophobicContact CE1-CB 3.87Å; F294-R351 HydrophobicContact CE1-CG 3.84Å; F294-R351 HydrophobicContact CE2-CG 3.68Å; F294-R351 HydrophobicContact CG-CG 4.29Å; F294-R351 HydrophobicContact CZ-CB 3.96Å; F294-R351 HydrophobicContact CZ-CG 3.54Å; V334-R351 PolarHBondContact O-N 3.43Å; W336-R351 PolarHBondContact N-O 2.97Å; R351-Y353 HydrophobicContact CB-CD2 4.45Å; R351-Y353 HydrophobicContact CB-CE2 3.64Å |
| 352 | L | 98.2 | Very high | 97.5 | Very high | 50 Ų | 50 | 53.3 Ų | 53.3 | 26% | 0.262 | 27% | 0.268 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 139.8 | 177.5 | -55.7 | -178.7 | 0 | 0 | 0 | 110.2 | W336 Y338 K342 L346 T350 | W336-L352 HydrophobicContact CB-CD2 4.02Å; W336-L352 HydrophobicContact CD2-CD2 3.81Å; W336-L352 HydrophobicContact CE3-CD2 3.45Å; W336-L352 VanDerWaalsContact CE3-CD2 3.45Å; W336-L352 HydrophobicContact CG-CD2 4.1Å; W336-L352 HydrophobicContact CZ3-CD2 4.18Å; W336-L352 CarbonylContact O-C 3.54Å; W336-L352 WeakPolarHBondContact O-CA 3.29Å; Y338-L352 HydrophobicContact CD1-CD1 4.19Å; K342-L352 HydrophobicContact CB-CD1 4.35Å; K342-L352 HydrophobicContact CG-CD1 4.06Å; L346-L352 HydrophobicContact CD1-CD2 3.89Å; L346-L352 HydrophobicContact CD1-CG 4.27Å; L346-L352 HydrophobicContact CD2-CD1 3.98Å; L346-L352 HydrophobicContact CD2-CD2 4.44Å; L346-L352 HydrophobicContact CD2-CG 3.91Å; T350-L352 HydrophobicContact CG2-CD2 4.49Å |
| 353 | Y | 96.8 | Very high | 97.6 | Very high | 40 Ų | 40 | 47.6 Ų | 47.6 | 16% | 0.157 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -135.6 | 141.8 | 176.5 | -65.1 | -88.9 | 0 | 0 | 0 | 110.2 | M291 L335 W336 R337 Y338 R351 W355 I356 | M291-Y353 HydrophobicContact CE-CD1 3.87Å; M291-Y353 HydrophobicContact CE-CE1 3.56Å; M291-Y353 HydrophobicContact CE-CE2 4.32Å; M291-Y353 HydrophobicContact CE-CG 4.38Å; L335-Y353 HydrophobicContact CB-CD2 4.48Å; L335-Y353 HydrophobicContact CB-CE2 4.23Å; L335-Y353 HydrophobicContact CD2-CE2 3.84Å; L335-Y353 HydrophobicContact CG-CE2 4.11Å; W336-Y353 PolarHBondContact O-N 3.24Å; R337-Y353 CarbonylContact C-O 3.56Å; R337-Y353 VanDerWaalsContact CA-O 3.26Å; R337-Y353 WeakPolarHBondContact CA-O 3.38Å; Y338-Y353 PolarHBondContact N-O 2.89Å; R351-Y353 HydrophobicContact CB-CD2 4.45Å; R351-Y353 HydrophobicContact CB-CE2 3.64Å; Y353-W355 VanDerWaalsContact C-N 3.28Å; Y353-W355 PolarHBondContact O-N 2.91Å; Y353-I356 HydrophobicContact CD2-CG2 3.94Å; Y353-I356 HydrophobicContact CG-CG2 3.84Å |
| 354 | N | 94.4 | Very high | 97.6 | Very high | 114 Ų | 114 | 48.6 Ų | 48.6 | 61% | 0.61 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -66.4 | -36.2 | 172 | -74.3 | -32.3 | 0 | 0 | 0 | 111.9 | R337 S339 | R337-N354 PolarHBondContact NE-O 2.71Å; S339-N354 WeakPolarHBondContact OG-CA 3.41Å; S339-N354 PolarHBondContact OG-OD1 2.77Å |
| 355 | W | 94.9 | Very high | 97.6 | Very high | 157 Ų | 157 | 46.5 Ų | 46.5 | 60% | 0.595 | 26% | 0.255 | S | S | * | . | S | Bend | trans | -146.4 | 145.2 | 175.7 | -161.7 | -101.6 | 0 | 0 | 0 | 109.9 | Y353 | Y353-W355 VanDerWaalsContact C-N 3.28Å; Y353-W355 PolarHBondContact O-N 2.91Å |
| 356 | I | 96.7 | Very high | 97.7 | Very high | 6 Ų | 6 | 45.9 Ų | 45.9 | 3% | 0.031 | 25% | 0.248 | C | C | . | . | trans | -124.1 | 147 | 178.3 | 61.9 | 177.4 | 0 | 0 | 0 | 110.1 | V305 R337 Y353 Q358 L361 | V305-I356 HydrophobicContact CG1-CD1 3.68Å; R337-I356 HydrophobicContact CB-CD1 4.07Å; R337-I356 HydrophobicContact CB-CG1 4.09Å; R337-I356 HydrophobicContact CB-CG2 4.27Å; Y353-I356 HydrophobicContact CD2-CG2 3.94Å; Y353-I356 HydrophobicContact CG-CG2 3.84Å; I356-Q358 HydrophobicContact CD1-CB 4.46Å; I356-Q358 HydrophobicContact CG1-CB 4.2Å; I356-Q358 PolarHBondContact O-N 2.87Å; I356-L361 HydrophobicContact CB-CD1 3.81Å; I356-L361 HydrophobicContact CD1-CD1 4.09Å; I356-L361 HydrophobicContact CG1-CD1 4.32Å; I356-L361 HydrophobicContact CG2-CD1 4.39Å | ||
| 357 | P | 96.9 | Very high | 97.7 | Very high | 36 Ų | 36 | 44.4 Ų | 44.4 | 23% | 0.234 | 24% | 0.241 | C | C | . | . | trans | -73.6 | 72.7 | 169 | 32.7 | -34.2 | 0 | 0 | 0 | 109.3 | L287 M291 N359 D360 L361 | L287-P357 HydrophobicContact CD2-CG 3.88Å; M291-P357 HydrophobicContact CE-CG 4.36Å; M291-P357 HydrophobicContact SD-CG 3.77Å; P357-N359 PolarHBondContact O-N 3.43Å; P357-D360 HydrophobicContact CB-CB 4.15Å; P357-D360 PolarHBondContact O-N 3.06Å; P357-L361 HydrophobicContact CG-CD1 4.47Å; P357-L361 HydrophobicContact CG-CG 4.39Å; P357-L361 PolarHBondContact O-N 3.34Å | ||
| 358 | Q | 97.9 | Very high | 97.7 | Very high | 32 Ų | 32 | 47.4 Ų | 47.4 | 15% | 0.15 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -54.3 | -50.3 | -167.7 | -173.1 | 176.1 | -79.7 | 0 | 0 | 112.5 | S307 I356 D360 L361 L362 F370 E381 | S307-Q358 PolarHBondContact OG-OE1 3.5Å; I356-Q358 HydrophobicContact CD1-CB 4.46Å; I356-Q358 HydrophobicContact CG1-CB 4.2Å; I356-Q358 PolarHBondContact O-N 2.87Å; Q358-D360 VanDerWaalsContact C-N 3.27Å; Q358-D360 PolarHBondContact O-N 2.86Å; Q358-L361 PolarHBondContact O-N 2.91Å; Q358-L362 HydrophobicContact CG-CD1 3.91Å; Q358-L362 HydrophobicContact CG-CG 4.36Å; Q358-L362 WeakPolarHBondContact O-CB 3.32Å; Q358-L362 VanDerWaalsContact O-CG 3.26Å; Q358-L362 WeakPolarHBondContact O-CG 3.38Å; Q358-L362 PolarHBondContact O-N 2.89Å; Q358-F370 HydrophobicContact CG-CE2 4.45Å; Q358-F370 HydrophobicContact CG-CZ 4.29Å; Q358-E381 WeakPolarHBondContact CG-OE2 3.34Å; Q358-E381 PolarHBondContact NE2-OE2 2.79Å |
| 359 | N | 97.4 | Very high | 97.8 | Very high | 8 Ų | 8 | 41.8 Ų | 41.8 | 4% | 0.043 | 21% | 0.21 | C | C | . | . | H | α-helix | trans | -52.8 | -45.1 | 175.7 | 176.1 | 84.6 | 0 | 0 | 0 | 112.5 | K282 P357 L362 G363 E381 H385 | K282-N359 VanDerWaalsContact CG-ND2 3.34Å; K282-N359 WeakPolarHBondContact CG-ND2 3.4Å; K282-N359 PolarHBondContact N-OD1 3.1Å; K282-N359 PolarHBondContact O-ND2 3.12Å; K282-N359 PolarHBondContact O-OD1 3.01Å; P357-N359 PolarHBondContact O-N 3.43Å; N359-L362 PolarHBondContact O-N 3.4Å; N359-G363 PolarHBondContact O-N 2.93Å; N359-E381 HydrophobicContact CB-CG 4.43Å; N359-H385 PolarHBondContact O-CD2 3Å; N359-H385 PolarHBondContact O-NE2 3.06Å; N359-H385 VanDerWaalsContact O-NE2 3.08Å; N359-H385 PolarHBondContact OD1-NE2 2.83Å; N359-H385 VanDerWaalsContact OD1-NE2 3.09Å |
| 360 | D | 98.4 | Very high | 97.8 | Very high | 21 Ų | 21 | 41.1 Ų | 41.1 | 11% | 0.112 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -74 | -38.3 | -174 | -54.7 | -41.3 | 0 | 0 | 0 | 111.1 | A284 K285 L287 P357 Q358 G363 H364 | A284-D360 WeakPolarHBondContact CA-OD1 3.49Å; A284-D360 HydrophobicContact CB-CB 4.45Å; K285-D360 PolarHBondContact N-OD1 3.28Å; L287-D360 HydrophobicContact CD2-CB 3.84Å; P357-D360 HydrophobicContact CB-CB 4.15Å; P357-D360 PolarHBondContact O-N 3.06Å; Q358-D360 VanDerWaalsContact C-N 3.27Å; Q358-D360 PolarHBondContact O-N 2.86Å; D360-G363 PolarHBondContact O-N 3.42Å; D360-H364 PolarHBondContact O-N 3.46Å; D360-H364 VanDerWaalsContact O-N 3.12Å |
| 361 | L | 98.7 | Very high | 97.9 | Very high | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -63.1 | -43.1 | 170.9 | -75.5 | 167.7 | 0 | 0 | 0 | 111.8 | L287 M291 V295 I303 V305 L335 I356 P357 Q358 G363 H364 T367 | L287-L361 HydrophobicContact CD1-CD2 3.62Å; L287-L361 HydrophobicContact CD2-CD2 4.01Å; L287-L361 HydrophobicContact CD2-CG 4.04Å; M291-L361 HydrophobicContact CG-CD2 4.39Å; M291-L361 HydrophobicContact SD-CD1 4.08Å; M291-L361 HydrophobicContact SD-CD2 3.91Å; M291-L361 HydrophobicContact SD-CG 4.16Å; V295-L361 HydrophobicContact CG2-CD2 4.18Å; I303-L361 HydrophobicContact CD1-CD2 4.14Å; V305-L361 HydrophobicContact CG1-CB 4.43Å; V305-L361 HydrophobicContact CG1-CD1 4.44Å; V305-L361 HydrophobicContact CG2-CB 3.76Å; L335-L361 HydrophobicContact CB-CD1 4.44Å; L335-L361 HydrophobicContact CD1-CD2 4.44Å; L335-L361 HydrophobicContact CD2-CD1 4.07Å; L335-L361 HydrophobicContact CD2-CD2 3.72Å; I356-L361 HydrophobicContact CB-CD1 3.81Å; I356-L361 HydrophobicContact CD1-CD1 4.09Å; I356-L361 HydrophobicContact CG1-CD1 4.32Å; I356-L361 HydrophobicContact CG2-CD1 4.39Å; P357-L361 HydrophobicContact CG-CD1 4.47Å; P357-L361 HydrophobicContact CG-CG 4.39Å; P357-L361 PolarHBondContact O-N 3.34Å; Q358-L361 PolarHBondContact O-N 2.91Å; L361-G363 VanDerWaalsContact C-N 3.3Å; L361-G363 PolarHBondContact O-N 3.41Å; L361-H364 VanDerWaalsContact O-CB 3.28Å; L361-H364 WeakPolarHBondContact O-CB 3.2Å; L361-H364 PolarHBondContact O-N 2.91Å; L361-H364 VanDerWaalsContact O-N 3.1Å; L361-T367 PolarHBondContact O-OG1 3.14Å |
| 362 | L | 98.8 | Very high | 97.9 | Very high | 2 Ų | 2 | 36.6 Ų | 36.6 | 1% | 0.01 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -64.6 | -35.5 | 178.2 | -69.8 | 174.9 | 0 | 0 | 0 | 112.1 | V305 Q358 N359 H364 T367 F370 E381 H385 V387 | V305-L362 HydrophobicContact CB-CD2 4.17Å; V305-L362 HydrophobicContact CG1-CD2 4.48Å; V305-L362 HydrophobicContact CG2-CD2 4.23Å; Q358-L362 HydrophobicContact CG-CD1 3.91Å; Q358-L362 HydrophobicContact CG-CG 4.36Å; Q358-L362 WeakPolarHBondContact O-CB 3.32Å; Q358-L362 VanDerWaalsContact O-CG 3.26Å; Q358-L362 WeakPolarHBondContact O-CG 3.38Å; Q358-L362 PolarHBondContact O-N 2.89Å; N359-L362 PolarHBondContact O-N 3.4Å; L362-H364 VanDerWaalsContact C-N 3.27Å; L362-H364 PolarHBondContact O-N 2.89Å; L362-T367 HydrophobicContact CD2-CG2 4.34Å; L362-F370 HydrophobicContact CD1-CD1 4.24Å; L362-F370 HydrophobicContact CD1-CE1 4.26Å; L362-F370 HydrophobicContact CD2-CB 3.67Å; L362-F370 HydrophobicContact CD2-CD1 4.17Å; L362-F370 HydrophobicContact CD2-CD2 4.01Å; L362-F370 HydrophobicContact CD2-CG 3.71Å; L362-E381 HydrophobicContact CD1-CB 3.64Å; L362-H385 HydrophobicContact CB-CB 4.33Å; L362-H385 WeakPolarHBondContact O-CB 3.28Å; L362-V387 HydrophobicContact CD2-CB 4.39Å; L362-V387 HydrophobicContact CD2-CG1 4.15Å; L362-V387 HydrophobicContact CD2-CG2 4.4Å; L362-V387 VanDerWaalsContact O-CG2 3.27Å; L362-V387 WeakPolarHBondContact O-CG2 3.35Å |
| 363 | G | 98.4 | Very high | 97.8 | Very high | 26 Ų | 26 | 35.4 Ų | 35.4 | 27% | 0.268 | 18% | 0.181 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -80 | -2 | 173.7 | 0 | 0 | 0 | 0 | 0 | 115.2 | N359 D360 L361 H385 | N359-G363 PolarHBondContact O-N 2.93Å; D360-G363 PolarHBondContact O-N 3.42Å; L361-G363 VanDerWaalsContact C-N 3.3Å; L361-G363 PolarHBondContact O-N 3.41Å; G363-H385 WeakPolarHBondContact CA-ND1 3.35Å |
| 364 | H | 98.6 | Very high | 97.9 | Very high | 26 Ų | 26 | 33.5 Ų | 33.5 | 12% | 0.12 | 17% | 0.174 | C | C | . | . | S | Bend | trans | -72.7 | 134.7 | 178.7 | -171.2 | -88.7 | 0 | 0 | 0 | 111.3 | E292 V295 D360 L361 L362 K366 T367 | E292-H364 IonicContact OE1-NE2 3.66Å; E292-H364 PolarHBondContact OE1-NE2 2.76Å; E292-H364 IonicContact OE2-CD2 2.78Å; E292-H364 IonicContact OE2-NE2 3.03Å; V295-H364 WeakPolarHBondContact CG1-CE1 3.37Å; V295-H364 WeakPolarHBondContact CG1-ND1 3.3Å; D360-H364 PolarHBondContact O-N 3.46Å; D360-H364 VanDerWaalsContact O-N 3.12Å; L361-H364 VanDerWaalsContact O-CB 3.28Å; L361-H364 WeakPolarHBondContact O-CB 3.2Å; L361-H364 PolarHBondContact O-N 2.91Å; L361-H364 VanDerWaalsContact O-N 3.1Å; L362-H364 VanDerWaalsContact C-N 3.27Å; L362-H364 PolarHBondContact O-N 2.89Å; H364-K366 PolarHBondContact ND1-N 3.27Å; H364-K366 VanDerWaalsContact ND1-N 3.13Å; H364-K366 PolarHBondContact O-N 3.37Å; H364-T367 WeakPolarHBondContact O-CB 3.46Å; H364-T367 PolarHBondContact O-N 3.44Å; H364-T367 PolarHBondContact O-OG1 2.95Å |
| 365 | P | 97.8 | Very high | 98 | Very high | 119 Ų | 119 | 28.5 Ų | 28.5 | 77% | 0.773 | 15% | 0.149 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -59.4 | -23.3 | -175.4 | -27.1 | 35 | 0 | 0 | 0 | 115.8 | T367 | P365-T367 VanDerWaalsContact C-N 3.33Š|
| 366 | K | 98.6 | Very high | 98 | Very high | 43 Ų | 43 | 21.4 Ų | 21.4 | 19% | 0.187 | 12% | 0.124 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -81.4 | -6.9 | 177 | -69.3 | -170.1 | 176.6 | -77.1 | 0 | 113.9 | V295 G299 G302 I303 H364 K368 | V295-K366 HydrophobicContact CG1-CB 4.21Å; V295-K366 HydrophobicContact CG1-CD 4.23Å; V295-K366 WeakPolarHBondContact O-CD 3.4Å; G299-K366 PolarHBondContact O-NZ 2.91Å; G302-K366 CarbonylContact C-O 3.59Å; G302-K366 VanDerWaalsContact CA-O 3.28Å; G302-K366 WeakPolarHBondContact CA-O 3.44Å; I303-K366 PolarHBondContact N-O 3.45Å; H364-K366 PolarHBondContact ND1-N 3.27Å; H364-K366 VanDerWaalsContact ND1-N 3.13Å; H364-K366 PolarHBondContact O-N 3.37Å; K366-K368 PolarHBondContact O-N 3.37Å |
| 367 | T | 98.8 | Very high | 98 | Very high | 9 Ų | 9 | 22.8 Ų | 22.8 | 6% | 0.055 | 13% | 0.131 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -71.9 | 124 | -177.7 | -62 | 0 | 0 | 0 | 0 | 111.7 | I303 V305 L361 L362 H364 P365 V387 | I303-T367 WeakPolarHBondContact CD1-OG1 3.33Å; I303-T367 WeakPolarHBondContact CG1-OG1 3.4Å; V305-T367 HydrophobicContact CG2-CG2 4.11Å; L361-T367 PolarHBondContact O-OG1 3.14Å; L362-T367 HydrophobicContact CD2-CG2 4.34Å; H364-T367 WeakPolarHBondContact O-CB 3.46Å; H364-T367 PolarHBondContact O-N 3.44Å; H364-T367 PolarHBondContact O-OG1 2.95Å; P365-T367 VanDerWaalsContact C-N 3.33Å; T367-V387 HydrophobicContact CG2-CG1 3.84Å; T367-V387 HydrophobicContact CG2-CG2 3.96Å |
| 368 | K | 98.8 | Very high | 98 | Very high | 79 Ų | 79 | 21.2 Ų | 21.2 | 34% | 0.343 | 12% | 0.122 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.2 | -39.2 | -177.8 | -57.8 | -55.7 | -175.3 | 177.5 | 0 | 112.9 | A301 I303 K366 I432 | A301-K368 WeakPolarHBondContact O-CG 3.42Å; I303-K368 PolarHBondContact O-N 3.18Å; K366-K368 PolarHBondContact O-N 3.37Å; K368-I432 HydrophobicContact CB-CD1 4.01Å; K368-I432 HydrophobicContact CB-CG1 3.97Å; K368-I432 HydrophobicContact CB-CG2 4.33Å |
| 369 | A | 98.9 | Very high | 98 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 12% | 0.115 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -152.1 | 158.2 | -179 | 0 | 0 | 0 | 0 | 0 | 111.4 | V305 P388 V431 I432 | V305-A369 PolarHBondContact N-O 2.87Å; V305-A369 VanDerWaalsContact N-O 3.17Å; A369-P388 WeakPolarHBondContact CA-O 3.3Å; A369-V431 HydrophobicContact CB-CG1 4.23Å; A369-I432 HydrophobicContact CB-CD1 4.14Å; A369-I432 HydrophobicContact CB-CG1 3.75Å |
| 370 | F | 98.9 | Very high | 98.1 | Very high | 1 Ų | 1 | 19.4 Ų | 19.4 | 0% | 0.004 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.7 | 116.9 | 173.3 | 179.3 | -146.4 | 0 | 0 | 0 | 110.4 | V305 Q358 L362 T372 A382 V387 P388 M389 V390 | V305-F370 HydrophobicContact CB-CD2 4.03Å; V305-F370 HydrophobicContact CG1-CD2 4.06Å; V305-F370 HydrophobicContact CG1-CE2 4.17Å; V305-F370 WeakPolarHBondContact O-CA 3.5Å; V305-F370 WeakPolarHBondContact O-CD2 3.37Å; Q358-F370 HydrophobicContact CG-CE2 4.45Å; Q358-F370 HydrophobicContact CG-CZ 4.29Å; L362-F370 HydrophobicContact CD1-CD1 4.24Å; L362-F370 HydrophobicContact CD1-CE1 4.26Å; L362-F370 HydrophobicContact CD2-CB 3.67Å; L362-F370 HydrophobicContact CD2-CD1 4.17Å; L362-F370 HydrophobicContact CD2-CD2 4.01Å; L362-F370 HydrophobicContact CD2-CG 3.71Å; F370-T372 HydrophobicContact CD1-CG2 4.11Å; F370-T372 HydrophobicContact CE1-CG2 4.17Å; F370-T372 WeakPolarHBondContact CE1-OG1 3.4Å; F370-A382 HydrophobicContact CD1-CB 3.9Å; F370-V387 HydrophobicContact CB-CG1 3.95Å; F370-P388 PolarHBondContact N-O 3.32Å; F370-M389 HydrophobicContact CB-CG 4.13Å; F370-M389 HydrophobicContact CD1-CG 4.08Å; F370-M389 HydrophobicContact CD1-SD 4.35Å; F370-M389 CarbonylContact O-C 3.59Å; F370-M389 VanDerWaalsContact O-CA 3.22Å; F370-M389 WeakPolarHBondContact O-CA 3.35Å; F370-V390 PolarHBondContact O-N 2.89Å |
| 371 | I | 98.9 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -85.3 | 119.8 | 167.4 | -54.5 | 172 | 0 | 0 | 0 | 107.1 | V304 V305 F306 S307 L327 V390 I392 V428 | V304-I371 HydrophobicContact CG1-CD1 3.69Å; V304-I371 HydrophobicContact CG1-CG1 3.72Å; V305-I371 PolarHBondContact O-N 3.01Å; F306-I371 WeakPolarHBondContact CA-O 3.39Å; F306-I371 HydrophobicContact CB-CB 4.01Å; F306-I371 HydrophobicContact CB-CD1 4.39Å; F306-I371 HydrophobicContact CD2-CB 3.53Å; F306-I371 HydrophobicContact CD2-CG2 3.36Å; F306-I371 WeakPolarHBondContact CD2-O 3.4Å; F306-I371 HydrophobicContact CE2-CB 4.22Å; F306-I371 HydrophobicContact CE2-CG2 3.51Å; F306-I371 HydrophobicContact CG-CB 3.84Å; F306-I371 HydrophobicContact CG-CD1 4.31Å; F306-I371 HydrophobicContact CG-CG2 3.99Å; F306-I371 HydrophobicContact CZ-CG2 4.22Å; S307-I371 PolarHBondContact N-O 2.9Å; L327-I371 HydrophobicContact CD2-CD1 3.66Å; I371-V390 CarbonylContact C-O 3.52Å; I371-V390 WeakPolarHBondContact CA-O 3.44Å; I371-V390 HydrophobicContact CG1-CB 4.36Å; I371-I392 HydrophobicContact CG2-CD1 3.58Å; I371-I392 HydrophobicContact CG2-CG1 4.12Å; I371-V428 HydrophobicContact CD1-CG2 3.7Å; I371-V428 HydrophobicContact CG1-CG2 3.95Å |
| 372 | T | 98.7 | Very high | 98.1 | Very high | 0 Ų | 0 | 19.7 Ų | 19.7 | 0% | 0 | 11% | 0.113 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 148.3 | -169.7 | -177.6 | 0 | 0 | 0 | 0 | 111.9 | S307 F370 G374 M389 V390 G391 I392 | S307-T372 WeakPolarHBondContact O-CA 3.44Å; F370-T372 HydrophobicContact CD1-CG2 4.11Å; F370-T372 HydrophobicContact CE1-CG2 4.17Å; F370-T372 WeakPolarHBondContact CE1-OG1 3.4Å; T372-G374 PolarHBondContact O-N 3.13Å; T372-G374 PolarHBondContact OG1-N 2.87Å; T372-M389 HydrophobicContact CG2-CB 4.14Å; T372-M389 HydrophobicContact CG2-CG 4.22Å; T372-M389 HydrophobicContact CG2-SD 4.12Å; T372-V390 PolarHBondContact N-O 2.78Å; T372-G391 CarbonylContact O-C 3.6Å; T372-G391 VanDerWaalsContact O-CA 3.3Å; T372-G391 WeakPolarHBondContact O-CA 3.3Å; T372-I392 PolarHBondContact O-N 2.73Å |
| 373 | H | 97.6 | Very high | 98.1 | Very high | 25 Ų | 25 | 19.7 Ų | 19.7 | 12% | 0.116 | 11% | 0.114 | C | C | . | . | trans | -67.7 | -6.9 | 164.1 | 70.2 | -38.6 | 0 | 0 | 0 | 114.5 | S307 L308 G375 I392 P393 M394 Q398 | S307-H373 PolarHBondContact O-N 3.4Å; L308-H373 HydrophobicContact CB-CB 4.31Å; L308-H373 HydrophobicContact CD2-CB 3.9Å; L308-H373 PolarHBondContact O-CD2 3.18Å; H373-G375 PolarHBondContact CE1-N 3.29Å; H373-G375 PolarHBondContact ND1-N 2.98Å; H373-I392 WeakPolarHBondContact CA-O 3.23Å; H373-P393 WeakPolarHBondContact O-CA 3.27Å; H373-M394 HydrophobicContact CB-CG 3.92Å; H373-Q398 PolarHBondContact CD2-NE2 2.98Å; H373-Q398 VanDerWaalsContact CD2-NE2 3.31Å; H373-Q398 WeakPolarHBondContact O-CB 3.3Å; H373-Q398 VanDerWaalsContact O-CG 3.3Å; H373-Q398 WeakPolarHBondContact O-CG 3.27Å; H373-Q398 PolarHBondContact O-OE1 3.32Å | ||
| 374 | G | 97.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.108 | C | C | . | . | trans | 81.6 | 14.4 | 179.5 | 0 | 0 | 0 | 0 | 0 | 115.2 | T372 I379 N401 | T372-G374 PolarHBondContact O-N 3.13Å; T372-G374 PolarHBondContact OG1-N 2.87Å; G374-I379 VanDerWaalsContact O-CD1 3.23Å; G374-I379 WeakPolarHBondContact O-CD1 3.49Å; G374-N401 VanDerWaalsContact O-CB 3.27Å; G374-N401 WeakPolarHBondContact O-CB 3.37Å; G374-N401 PolarHBondContact O-ND2 3.08Å | ||
| 375 | G | 96.6 | Very high | 98.1 | Very high | 8 Ų | 8 | 20.8 Ų | 20.8 | 8% | 0.082 | 11% | 0.11 | C | C | . | . | trans | -66.3 | 140.3 | 171 | 0 | 0 | 0 | 0 | 0 | 111.9 | H373 N377 G378 I379 | H373-G375 PolarHBondContact CE1-N 3.29Å; H373-G375 PolarHBondContact ND1-N 2.98Å; G375-N377 VanDerWaalsContact C-N 3.29Å; G375-N377 PolarHBondContact O-N 3Å; G375-N377 VanDerWaalsContact O-N 3.14Å; G375-G378 PolarHBondContact O-N 3.27Å; G375-I379 PolarHBondContact O-N 3.48Å; G375-I379 VanDerWaalsContact O-N 3.11Å | ||
| 376 | A | 96 | Very high | 98.1 | Very high | 9 Ų | 9 | 15.1 Ų | 15.1 | 7% | 0.074 | 7% | 0.073 | C | C | . | . | H | α-helix | trans | -52.5 | -40.5 | -171.7 | 0 | 0 | 0 | 0 | 0 | 114.1 | F263 G378 I379 Y380 | F263-A376 HydrophobicContact CE1-CB 4.35Å; A376-G378 PolarHBondContact O-N 3.46Å; A376-I379 PolarHBondContact O-N 3.33Å; A376-Y380 VanDerWaalsContact O-CD2 3.28Å; A376-Y380 WeakPolarHBondContact O-CD2 3.06Å; A376-Y380 PolarHBondContact O-N 3.39Å |
| 377 | N | 95.6 | Very high | 98.1 | Very high | 35 Ų | 35 | 13.1 Ų | 13.1 | 19% | 0.187 | 7% | 0.065 | C | C | . | . | H | α-helix | trans | -60.1 | -46.8 | 178.6 | -71.2 | -20 | 0 | 0 | 0 | 112.5 | S32 N36 H280 G375 Y380 E381 | S32-N377 PolarHBondContact O-ND2 2.61Å; N36-N377 PolarHBondContact ND2-OD1 2.94Å; H280-N377 PolarHBondContact CE1-O 3.31Å; H280-N377 WeakPolarHBondContact NE2-CA 3.31Å; H280-N377 PolarHBondContact NE2-O 2.95Å; G375-N377 VanDerWaalsContact C-N 3.29Å; G375-N377 PolarHBondContact O-N 3Å; G375-N377 VanDerWaalsContact O-N 3.14Å; N377-Y380 PolarHBondContact O-N 2.87Å; N377-E381 WeakPolarHBondContact O-CG 3.43Å; N377-E381 PolarHBondContact O-N 3.39Å; N377-E381 VanDerWaalsContact O-N 3.1Å |
| 378 | G | 97.3 | Very high | 98.1 | Very high | 3 Ų | 3 | 12.8 Ų | 12.8 | 3% | 0.031 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -69.1 | -35.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.2 | G375 A376 E381 A382 | G375-G378 PolarHBondContact O-N 3.27Å; A376-G378 PolarHBondContact O-N 3.46Å; G378-E381 PolarHBondContact O-N 3.17Å; G378-A382 WeakPolarHBondContact O-CB 3.35Å; G378-A382 PolarHBondContact O-N 3.16Å |
| 379 | I | 98.4 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -61.1 | -46.3 | 173.1 | -73.1 | 173.9 | 0 | 0 | 0 | 110.6 | F263 G374 G375 A376 E381 A382 I383 M389 N401 M405 | F263-I379 HydrophobicContact CD2-CG2 3.77Å; F263-I379 HydrophobicContact CE2-CD1 3.95Å; F263-I379 HydrophobicContact CE2-CG2 4.01Å; F263-I379 HydrophobicContact CG-CG2 4.18Å; F263-I379 HydrophobicContact CZ-CD1 4.21Å; G374-I379 VanDerWaalsContact O-CD1 3.23Å; G374-I379 WeakPolarHBondContact O-CD1 3.49Å; G375-I379 PolarHBondContact O-N 3.48Å; G375-I379 VanDerWaalsContact O-N 3.11Å; A376-I379 PolarHBondContact O-N 3.33Å; I379-E381 PolarHBondContact O-N 2.91Å; I379-A382 WeakPolarHBondContact O-CB 3.22Å; I379-A382 PolarHBondContact O-N 3.3Å; I379-I383 HydrophobicContact CG2-CD1 3.69Å; I379-I383 HydrophobicContact CG2-CG1 4.27Å; I379-I383 WeakPolarHBondContact O-CG1 3.17Å; I379-I383 PolarHBondContact O-N 3.39Å; I379-M389 HydrophobicContact CG1-SD 4.05Å; I379-M389 HydrophobicContact CG2-CE 4.46Å; I379-N401 HydrophobicContact CD1-CB 3.59Å; I379-M405 HydrophobicContact CD1-CG 4.08Å; I379-M405 HydrophobicContact CG1-CG 4.46Å; I379-M405 HydrophobicContact CG2-CG 4.07Å; I379-M405 HydrophobicContact CG2-SD 3.71Å |
| 380 | Y | 98.3 | Very high | 98.1 | Very high | 2 Ų | 2 | 9.1 Ų | 9.1 | 1% | 0.008 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -65.1 | -36.6 | 178.4 | -87.6 | -62.5 | 0 | 0 | 0 | 113.4 | R258 T259 Y260 F263 G277 C281 A376 N377 A382 I383 Y384 H448 | R258-Y380 WeakPolarHBondContact O-CE2 3.26Å; T259-Y380 WeakPolarHBondContact CA-OH 3.35Å; Y260-Y380 PolarHBondContact N-OH 2.9Å; F263-Y380 HydrophobicContact CB-CE1 4.02Å; F263-Y380 WeakPolarHBondContact CB-OH 3.49Å; F263-Y380 AromaticContact CD1-CE2 3.75Å; F263-Y380 HydrophobicContact CD1-CE2 3.75Å; F263-Y380 AromaticContact CD1-CZ 3.75Å; F263-Y380 WeakPolarHBondContact CD1-OH 3.37Å; F263-Y380 HydrophobicContact CE1-CE2 4.47Å; F263-Y380 HydrophobicContact CG-CE2 4.49Å; G277-Y380 VanDerWaalsContact CA-CZ 3.49Å; C281-Y380 PolarHBondContact SG-O 3.45Å; C281-Y380 VanDerWaalsContact SG-O 3.42Å; A376-Y380 VanDerWaalsContact O-CD2 3.28Å; A376-Y380 WeakPolarHBondContact O-CD2 3.06Å; A376-Y380 PolarHBondContact O-N 3.39Å; N377-Y380 PolarHBondContact O-N 2.87Å; Y380-A382 VanDerWaalsContact C-N 3.32Å; Y380-I383 PolarHBondContact O-N 3.37Å; Y380-Y384 WeakPolarHBondContact O-CB 3.19Å; Y380-Y384 PolarHBondContact O-N 3.19Å; Y380-H448 AromaticContact CD1-CE1 3.81Å |
| 381 | E | 98.5 | Very high | 98.1 | Very high | 26 Ų | 26 | 9 Ų | 9 | 12% | 0.121 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -64.3 | -40.5 | 173.5 | -69.2 | 171.9 | 176.9 | 0 | 0 | 110.8 | H280 Q358 N359 L362 N377 G378 I379 Y384 H385 | H280-E381 IonicContact CD2-OE1 3.67Å; H280-E381 PolarHBondContact CD2-OE1 3.01Å; H280-E381 IonicContact NE2-OE1 3.81Å; Q358-E381 WeakPolarHBondContact CG-OE2 3.34Å; Q358-E381 PolarHBondContact NE2-OE2 2.79Å; N359-E381 HydrophobicContact CB-CG 4.43Å; L362-E381 HydrophobicContact CD1-CB 3.64Å; N377-E381 WeakPolarHBondContact O-CG 3.43Å; N377-E381 PolarHBondContact O-N 3.39Å; N377-E381 VanDerWaalsContact O-N 3.1Å; G378-E381 PolarHBondContact O-N 3.17Å; I379-E381 PolarHBondContact O-N 2.91Å; E381-Y384 PolarHBondContact O-N 3.36Å; E381-H385 PolarHBondContact O-CD2 2.87Å; E381-H385 PolarHBondContact O-N 3.03Å; E381-H385 VanDerWaalsContact O-N 3.1Å |
| 382 | A | 98.8 | Very high | 98.1 | Very high | 0 Ų | 0 | 9.1 Ų | 9.1 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -66.6 | -42.5 | 176 | 0 | 0 | 0 | 0 | 0 | 112.4 | F370 G378 I379 Y380 H385 G386 V387 M389 | F370-A382 HydrophobicContact CD1-CB 3.9Å; G378-A382 WeakPolarHBondContact O-CB 3.35Å; G378-A382 PolarHBondContact O-N 3.16Å; I379-A382 WeakPolarHBondContact O-CB 3.22Å; I379-A382 PolarHBondContact O-N 3.3Å; Y380-A382 VanDerWaalsContact C-N 3.32Å; A382-H385 CarbonylContact O-C 3.6Å; A382-H385 PolarHBondContact O-N 2.88Å; A382-G386 CarbonylContact O-C 3.59Å; A382-G386 WeakPolarHBondContact O-CA 3.3Å; A382-G386 PolarHBondContact O-N 3.04Å; A382-V387 HydrophobicContact CB-CB 4.49Å; A382-V387 PolarHBondContact O-N 3.39Å; A382-M389 HydrophobicContact CB-CE 4.22Å; A382-M389 HydrophobicContact CB-CG 3.91Å; A382-M389 HydrophobicContact CB-SD 3.56Å; A382-M389 VanDerWaalsContact CB-SD 3.56Å |
| 383 | I | 98.8 | Very high | 98 | Very high | 3 Ų | 3 | 10 Ų | 10 | 2% | 0.015 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.1 | -49.2 | 173 | -71.2 | 171 | 0 | 0 | 0 | 110 | D262 F263 I379 Y380 H385 G386 M405 L444 S445 H448 | D262-I383 HydrophobicContact CB-CG2 4.32Å; F263-I383 HydrophobicContact CB-CD1 3.85Å; I379-I383 HydrophobicContact CG2-CD1 3.69Å; I379-I383 HydrophobicContact CG2-CG1 4.27Å; I379-I383 WeakPolarHBondContact O-CG1 3.17Å; I379-I383 PolarHBondContact O-N 3.39Å; Y380-I383 PolarHBondContact O-N 3.37Å; I383-H385 VanDerWaalsContact C-N 3.26Å; I383-H385 PolarHBondContact O-N 2.86Å; I383-G386 PolarHBondContact O-N 2.75Å; I383-M405 HydrophobicContact CD1-CE 4.05Å; I383-M405 HydrophobicContact CD1-SD 4.04Å; I383-M405 HydrophobicContact CG1-CE 4.01Å; I383-L444 HydrophobicContact CG2-CB 4.15Å; I383-S445 WeakPolarHBondContact O-CA 3.47Å; I383-S445 WeakPolarHBondContact O-CB 3.49Å; I383-S445 PolarHBondContact O-OG 2.97Å; I383-H448 HydrophobicContact CG2-CB 3.81Å |
| 384 | Y | 98.6 | Very high | 97.7 | Very high | 40 Ų | 40 | 9.2 Ų | 9.2 | 16% | 0.157 | 5% | 0.049 | C | C | . | . | H | α-helix | trans | -54 | -44 | -179.1 | -176 | -82.1 | 0 | 0 | 0 | 111.3 | C281 K282 P283 Y380 E381 S445 H448 H449 | C281-Y384 HydrophobicContact CB-CD2 3.37Å; C281-Y384 HydrophobicContact CB-CE2 3.89Å; C281-Y384 HydrophobicContact CB-CG 3.75Å; K282-Y384 WeakPolarHBondContact O-CE1 3.25Å; P283-Y384 VanDerWaalsContact CD-OH 3.3Å; P283-Y384 WeakPolarHBondContact CD-OH 3.22Å; Y380-Y384 WeakPolarHBondContact O-CB 3.19Å; Y380-Y384 PolarHBondContact O-N 3.19Å; E381-Y384 PolarHBondContact O-N 3.36Å; Y384-S445 PolarHBondContact O-OG 3.32Å; Y384-H448 AromaticContact CD2-CD2 3.56Å; Y384-H448 AromaticContact CD2-NE2 3.57Å; Y384-H449 AromaticContact CD2-CE1 3.56Å; Y384-H449 AromaticContact CE1-CE1 3.79Å; Y384-H449 AromaticContact CE2-CE1 3.31Å; Y384-H449 WeakPolarHBondContact CE2-CE1 3.45Å; Y384-H449 AromaticContact CG-CE1 3.9Å; Y384-H449 AromaticContact CZ-CE1 3.44Å; Y384-H449 VanDerWaalsContact CZ-CE1 3.44Å; Y384-H449 PolarHBondContact O-NE2 3.15Å |
| 385 | H | 98.8 | Very high | 97.4 | Very high | 34 Ų | 34 | 10.2 Ų | 10.2 | 16% | 0.157 | 5% | 0.054 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -92.3 | 2.8 | 179.6 | -62.8 | -64.6 | 0 | 0 | 0 | 114.6 | N359 L362 G363 E381 A382 I383 V387 | N359-H385 PolarHBondContact O-CD2 3Å; N359-H385 PolarHBondContact O-NE2 3.06Å; N359-H385 VanDerWaalsContact O-NE2 3.08Å; N359-H385 PolarHBondContact OD1-NE2 2.83Å; N359-H385 VanDerWaalsContact OD1-NE2 3.09Å; L362-H385 HydrophobicContact CB-CB 4.33Å; L362-H385 WeakPolarHBondContact O-CB 3.28Å; G363-H385 WeakPolarHBondContact CA-ND1 3.35Å; E381-H385 PolarHBondContact O-CD2 2.87Å; E381-H385 PolarHBondContact O-N 3.03Å; E381-H385 VanDerWaalsContact O-N 3.1Å; A382-H385 CarbonylContact O-C 3.6Å; A382-H385 PolarHBondContact O-N 2.88Å; I383-H385 VanDerWaalsContact C-N 3.26Å; I383-H385 PolarHBondContact O-N 2.86Å; H385-V387 HydrophobicContact CB-CG2 4.12Å; H385-V387 PolarHBondContact O-N 2.65Å |
| 386 | G | 98.7 | Very high | 97 | Very high | 0 Ų | 0 | 11.1 Ų | 11.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 62.5 | 36.5 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.1 | A382 I383 K438 | A382-G386 CarbonylContact O-C 3.59Å; A382-G386 WeakPolarHBondContact O-CA 3.3Å; A382-G386 PolarHBondContact O-N 3.04Å; I383-G386 PolarHBondContact O-N 2.75Å; G386-K438 PolarHBondContact O-NZ 3.08Å |
| 387 | V | 98.9 | Very high | 96.7 | Very high | 2 Ų | 2 | 11.8 Ų | 11.8 | 1% | 0.012 | 7% | 0.065 | C | C | . | . | trans | -97.4 | 124.7 | -179.4 | -179.8 | 0 | 0 | 0 | 0 | 109.8 | L362 T367 F370 A382 H385 | L362-V387 HydrophobicContact CD2-CB 4.39Å; L362-V387 HydrophobicContact CD2-CG1 4.15Å; L362-V387 HydrophobicContact CD2-CG2 4.4Å; L362-V387 VanDerWaalsContact O-CG2 3.27Å; L362-V387 WeakPolarHBondContact O-CG2 3.35Å; T367-V387 HydrophobicContact CG2-CG1 3.84Å; T367-V387 HydrophobicContact CG2-CG2 3.96Å; F370-V387 HydrophobicContact CB-CG1 3.95Å; A382-V387 HydrophobicContact CB-CB 4.49Å; A382-V387 PolarHBondContact O-N 3.39Å; H385-V387 HydrophobicContact CB-CG2 4.12Å; H385-V387 PolarHBondContact O-N 2.65Å | ||
| 388 | P | 98.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 10.3 Ų | 10.3 | 1% | 0.006 | 6% | 0.057 | C | C | . | . | trans | -77.5 | 159.9 | 176.2 | 36.2 | -38.4 | 0 | 0 | 0 | 111.6 | A369 F370 A410 V431 A441 | A369-P388 WeakPolarHBondContact CA-O 3.3Å; F370-P388 PolarHBondContact N-O 3.32Å; P388-A410 WeakPolarHBondContact CA-O 3.38Å; P388-V431 HydrophobicContact CB-CG1 3.53Å; P388-V431 HydrophobicContact CG-CG1 3.59Å; P388-A441 HydrophobicContact CB-CB 4.07Å | ||
| 389 | M | 98.8 | Very high | 96.7 | Very high | 2 Ų | 2 | 11.3 Ų | 11.3 | 1% | 0.01 | 6% | 0.063 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -125.9 | 149.1 | -163 | -67.4 | 170.5 | -78.8 | 0 | 0 | 114.4 | F370 T372 I379 A382 M405 A410 A411 V412 | F370-M389 HydrophobicContact CB-CG 4.13Å; F370-M389 HydrophobicContact CD1-CG 4.08Å; F370-M389 HydrophobicContact CD1-SD 4.35Å; F370-M389 CarbonylContact O-C 3.59Å; F370-M389 VanDerWaalsContact O-CA 3.22Å; F370-M389 WeakPolarHBondContact O-CA 3.35Å; T372-M389 HydrophobicContact CG2-CB 4.14Å; T372-M389 HydrophobicContact CG2-CG 4.22Å; T372-M389 HydrophobicContact CG2-SD 4.12Å; I379-M389 HydrophobicContact CG1-SD 4.05Å; I379-M389 HydrophobicContact CG2-CE 4.46Å; A382-M389 HydrophobicContact CB-CE 4.22Å; A382-M389 HydrophobicContact CB-CG 3.91Å; A382-M389 HydrophobicContact CB-SD 3.56Å; A382-M389 VanDerWaalsContact CB-SD 3.56Å; M389-M405 HydrophobicContact CE-CB 4.38Å; M389-M405 HydrophobicContact CE-CE 3.3Å; M389-M405 HydrophobicContact CE-CG 3.92Å; M389-M405 HydrophobicContact CE-SD 4.16Å; M389-A410 PolarHBondContact N-O 3.46Å; M389-A411 HydrophobicContact CB-CB 3.93Å; M389-A411 WeakPolarHBondContact O-CA 3.44Å; M389-V412 PolarHBondContact O-N 3.29Å; M389-V412 VanDerWaalsContact O-N 3.09Å |
| 390 | V | 98.9 | Very high | 96.6 | Very high | 0 Ų | 0 | 11.8 Ų | 11.8 | 0% | 0 | 7% | 0.066 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 115.1 | 158.7 | 178.5 | 0 | 0 | 0 | 0 | 107.6 | F370 I371 T372 V412 V414 L424 A427 V428 V431 | F370-V390 PolarHBondContact O-N 2.89Å; I371-V390 CarbonylContact C-O 3.52Å; I371-V390 WeakPolarHBondContact CA-O 3.44Å; I371-V390 HydrophobicContact CG1-CB 4.36Å; T372-V390 PolarHBondContact N-O 2.78Å; V390-V412 CarbonylContact C-O 3.54Å; V390-V412 WeakPolarHBondContact CA-O 3.39Å; V390-V414 HydrophobicContact CG1-CG2 3.97Å; V390-L424 HydrophobicContact CG1-CD1 4.16Å; V390-A427 HydrophobicContact CG1-CB 3.86Å; V390-A427 HydrophobicContact CG2-CB 4.23Å; V390-V428 HydrophobicContact CG2-CB 4.48Å; V390-V428 HydrophobicContact CG2-CG2 3.97Å; V390-V431 HydrophobicContact CG2-CB 4.21Å; V390-V431 HydrophobicContact CG2-CG2 3.86Å |
| 391 | G | 98.5 | Very high | 96.6 | Very high | 0 Ų | 0 | 12.2 Ų | 12.2 | 0% | 0 | 7% | 0.068 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -86.2 | 132 | 179.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T372 P393 M402 V412 T413 V414 | T372-G391 CarbonylContact O-C 3.6Å; T372-G391 VanDerWaalsContact O-CA 3.3Å; T372-G391 WeakPolarHBondContact O-CA 3.3Å; G391-P393 VanDerWaalsContact C-CD 3.46Å; G391-M402 VanDerWaalsContact CA-CE 3.45Å; G391-V412 PolarHBondContact N-O 3.49Å; G391-T413 CarbonylContact O-C 3.51Å; G391-T413 WeakPolarHBondContact O-CA 3.35Å; G391-V414 PolarHBondContact O-N 3.39Å |
| 392 | I | 98.2 | Very high | 96.5 | Very high | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 6% | 0.063 | C | C | . | . | trans | -123.8 | 72.8 | 168.5 | -50.1 | 177.5 | 0 | 0 | 0 | 107.1 | F306 L308 I371 T372 H373 M394 F416 M419 L424 | F306-I392 HydrophobicContact CE2-CD1 4.39Å; F306-I392 HydrophobicContact CZ-CD1 4.43Å; L308-I392 HydrophobicContact CD2-CB 4.34Å; I371-I392 HydrophobicContact CG2-CD1 3.58Å; I371-I392 HydrophobicContact CG2-CG1 4.12Å; T372-I392 PolarHBondContact O-N 2.73Å; H373-I392 WeakPolarHBondContact CA-O 3.23Å; I392-M394 HydrophobicContact CG2-SD 4.03Å; I392-M394 WeakPolarHBondContact O-CG 3.3Å; I392-F416 HydrophobicContact CG2-CB 3.93Å; I392-F416 HydrophobicContact CG2-CD2 4.02Å; I392-F416 HydrophobicContact CG2-CG 4.47Å; I392-M419 HydrophobicContact CD1-SD 4.47Å; I392-M419 HydrophobicContact CG2-SD 4.2Å; I392-L424 HydrophobicContact CD1-CD1 3.86Å; I392-L424 HydrophobicContact CD1-CD2 4.42Å | ||
| 393 | P | 96.2 | Very high | 96.5 | Very high | 20 Ų | 20 | 12.2 Ų | 12.2 | 13% | 0.13 | 7% | 0.07 | C | C | . | . | trans | -64.6 | 137 | -174.2 | 25.3 | -32.4 | 0 | 0 | 0 | 111.5 | H373 G391 Q398 P399 M402 T413 | H373-P393 WeakPolarHBondContact O-CA 3.27Å; G391-P393 VanDerWaalsContact C-CD 3.46Å; P393-Q398 HydrophobicContact CB-CB 3.88Å; P393-P399 HydrophobicContact CB-CB 4.22Å; P393-P399 HydrophobicContact CB-CG 3.99Å; P393-P399 HydrophobicContact CG-CB 4.48Å; P393-M402 HydrophobicContact CB-CG 4.3Å; P393-M402 HydrophobicContact CG-CG 4.25Å; P393-T413 HydrophobicContact CG-CG2 3.71Å | ||
| 394 | M | 92 | Very high | 96.5 | Very high | 7 Ų | 7 | 12.6 Ų | 12.6 | 3% | 0.034 | 7% | 0.072 | C | C | . | . | trans | -113.7 | -43.9 | -170.8 | -51.6 | -61.9 | -69.5 | 0 | 0 | 112 | M96 L308 V312 V315 H373 I392 Q398 F416 | M96-M394 HydrophobicContact CE-CE 3.25Å; M96-M394 HydrophobicContact CG-CB 3.93Å; M96-M394 HydrophobicContact CG-CE 4.17Å; M96-M394 WeakPolarHBondContact CG-O 3.43Å; M96-M394 HydrophobicContact SD-CB 4.16Å; M96-M394 HydrophobicContact SD-CE 3.81Å; L308-M394 HydrophobicContact CD1-CE 4.5Å; L308-M394 HydrophobicContact CD2-CG 4.43Å; L308-M394 HydrophobicContact CD2-SD 4.36Å; V312-M394 HydrophobicContact CG2-CG 4.48Å; V315-M394 HydrophobicContact CG1-CE 4.39Å; H373-M394 HydrophobicContact CB-CG 3.92Å; I392-M394 HydrophobicContact CG2-SD 4.03Å; I392-M394 WeakPolarHBondContact O-CG 3.3Å; M394-Q398 VanDerWaalsContact CB-OE1 3.29Å; M394-F416 HydrophobicContact CE-CD1 3.88Å; M394-F416 HydrophobicContact CE-CD2 3.5Å; M394-F416 HydrophobicContact CE-CE1 3.89Å; M394-F416 HydrophobicContact CE-CE2 3.52Å; M394-F416 HydrophobicContact CE-CG 3.69Å; M394-F416 HydrophobicContact CE-CZ 3.71Å; M394-F416 HydrophobicContact SD-CB 3.93Å; M394-F416 HydrophobicContact SD-CD1 4.39Å; M394-F416 HydrophobicContact SD-CD2 3.62Å; M394-F416 HydrophobicContact SD-CE2 4.24Å; M394-F416 HydrophobicContact SD-CG 3.72Å | ||
| 395 | F | 90.4 | Very high | 96.5 | Very high | 21 Ų | 21 | 10.7 Ų | 10.7 | 9% | 0.092 | 6% | 0.064 | C | C | . | . | S | Bend | trans | -164.4 | 170.9 | -177.4 | 60.2 | -92.3 | 0 | 0 | 0 | 113.3 | I92 F95 M96 M311 V312 Q398 | I92-F395 HydrophobicContact CG2-CD1 4.43Å; F95-F395 HydrophobicContact CB-CB 3.31Å; F95-F395 HydrophobicContact CD2-CB 4.18Å; F95-F395 HydrophobicContact CG-CB 3.79Å; M96-F395 HydrophobicContact CG-CD1 4.33Å; M96-F395 HydrophobicContact SD-CD1 4.37Å; M311-F395 HydrophobicContact CB-CZ 4.07Å; M311-F395 HydrophobicContact CE-CE2 3.59Å; M311-F395 HydrophobicContact CE-CZ 3.63Å; M311-F395 HydrophobicContact SD-CE2 4.19Å; M311-F395 HydrophobicContact SD-CZ 4.03Å; V312-F395 HydrophobicContact CG2-CD1 4.47Å; V312-F395 HydrophobicContact CG2-CE1 3.72Å; F395-Q398 VanDerWaalsContact CZ-NE2 3.33Å; F395-Q398 VanDerWaalsContact N-OE1 3.12Å; F395-Q398 WeakPolarHBondContact O-CB 3.36Å; F395-Q398 WeakPolarHBondContact O-CG 3.19Å; F395-Q398 PolarHBondContact O-N 3.27Å; F395-Q398 PolarHBondContact O-NE2 3.4Å |
| 396 | G | 88.4 | Confident | 96.4 | Very high | 27 Ų | 27 | 12.9 Ų | 12.9 | 28% | 0.278 | 8% | 0.075 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 64.3 | -133.1 | 171.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | Q398 P399 | G396-Q398 VanDerWaalsContact C-N 3.26Å; G396-Q398 PolarHBondContact O-N 3.07Å; G396-P399 WeakPolarHBondContact O-CD 3.2Å |
| 397 | D | 90.8 | Very high | 96.4 | Very high | 24 Ų | 24 | 15.8 Ų | 15.8 | 13% | 0.128 | 10% | 0.099 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -71.5 | -17 | 178.3 | 58.1 | -43.5 | 0 | 0 | 0 | 113.8 | F173 D400 N401 | F173-D397 HydrophobicContact CD1-CB 3.82Å; F173-D397 HydrophobicContact CD2-CB 4.24Å; F173-D397 HydrophobicContact CE1-CB 3.55Å; F173-D397 VanDerWaalsContact CE1-CG 3.49Å; F173-D397 HydrophobicContact CE2-CB 3.99Å; F173-D397 HydrophobicContact CG-CB 4.18Å; F173-D397 HydrophobicContact CZ-CB 3.65Å; D397-D400 WeakPolarHBondContact O-CB 3.43Å; D397-D400 PolarHBondContact O-N 3.42Å; D397-N401 VanDerWaalsContact O-CG 3.22Å; D397-N401 PolarHBondContact O-N 3.23Å; D397-N401 PolarHBondContact O-OD1 2.86Å; D397-N401 PolarHBondContact OD2-ND2 2.66Å |
| 398 | Q | 95.8 | Very high | 96.4 | Very high | 4 Ų | 4 | 17.2 Ų | 17.2 | 2% | 0.019 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -54.2 | -46 | -170.1 | -66.4 | 161.6 | 31.7 | 0 | 0 | 114.9 | H373 P393 M394 F395 G396 D400 N401 M402 | H373-Q398 PolarHBondContact CD2-NE2 2.98Å; H373-Q398 VanDerWaalsContact CD2-NE2 3.31Å; H373-Q398 WeakPolarHBondContact O-CB 3.3Å; H373-Q398 VanDerWaalsContact O-CG 3.3Å; H373-Q398 WeakPolarHBondContact O-CG 3.27Å; H373-Q398 PolarHBondContact O-OE1 3.32Å; P393-Q398 HydrophobicContact CB-CB 3.88Å; M394-Q398 VanDerWaalsContact CB-OE1 3.29Å; F395-Q398 VanDerWaalsContact CZ-NE2 3.33Å; F395-Q398 VanDerWaalsContact N-OE1 3.12Å; F395-Q398 WeakPolarHBondContact O-CB 3.36Å; F395-Q398 WeakPolarHBondContact O-CG 3.19Å; F395-Q398 PolarHBondContact O-N 3.27Å; F395-Q398 PolarHBondContact O-NE2 3.4Å; G396-Q398 VanDerWaalsContact C-N 3.26Å; G396-Q398 PolarHBondContact O-N 3.07Å; Q398-D400 VanDerWaalsContact C-N 3.28Å; Q398-D400 PolarHBondContact O-N 2.91Å; Q398-N401 PolarHBondContact O-N 2.82Å; Q398-M402 WeakPolarHBondContact O-CG 3.33Å; Q398-M402 PolarHBondContact O-N 2.95Å; Q398-M402 VanDerWaalsContact O-N 3.07Å |
| 399 | P | 95.8 | Very high | 96.3 | Very high | 24 Ų | 24 | 18 Ų | 18 | 16% | 0.156 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -62.3 | -37.4 | 177.8 | -19.6 | 31.8 | 0 | 0 | 0 | 112.6 | K199 P393 G396 M402 V403 | K199-P399 HydrophobicContact CD-CB 4.07Å; K199-P399 HydrophobicContact CG-CB 4.39Å; P393-P399 HydrophobicContact CB-CB 4.22Å; P393-P399 HydrophobicContact CB-CG 3.99Å; P393-P399 HydrophobicContact CG-CB 4.48Å; G396-P399 WeakPolarHBondContact O-CD 3.2Å; P399-M402 PolarHBondContact O-N 3.44Å; P399-V403 PolarHBondContact O-N 3.48Å |
| 400 | D | 96.4 | Very high | 96.3 | Very high | 10 Ų | 10 | 18 Ų | 18 | 5% | 0.053 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -70.5 | -43.4 | -179.9 | -164.5 | 64.5 | 0 | 0 | 0 | 110.8 | A197 K199 D397 Q398 M402 V403 H404 | A197-D400 PolarHBondContact N-OD2 3.01Å; K199-D400 WeakPolarHBondContact CA-OD1 3.34Å; K199-D400 PolarHBondContact N-OD1 3.39Å; D397-D400 WeakPolarHBondContact O-CB 3.43Å; D397-D400 PolarHBondContact O-N 3.42Å; Q398-D400 VanDerWaalsContact C-N 3.28Å; Q398-D400 PolarHBondContact O-N 2.91Å; D400-M402 PolarHBondContact O-N 3.08Å; D400-V403 WeakPolarHBondContact O-CB 3.33Å; D400-V403 PolarHBondContact O-N 2.92Å; D400-H404 PolarHBondContact O-N 2.88Å; D400-H404 PolarHBondContact O-ND1 3.38Å; D400-H404 IonicContact OD2-CE1 2.68Å |
| 401 | N | 97.9 | Very high | 96.3 | Very high | 11 Ų | 11 | 18.1 Ų | 18.1 | 6% | 0.059 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -57 | -38.7 | 173.2 | -63.9 | -11.5 | 0 | 0 | 0 | 112 | F263 G374 I379 D397 Q398 H404 M405 | F263-N401 HydrophobicContact CE2-CB 3.99Å; F263-N401 HydrophobicContact CZ-CB 3.66Å; F263-N401 WeakPolarHBondContact CZ-OD1 3.12Å; G374-N401 VanDerWaalsContact O-CB 3.27Å; G374-N401 WeakPolarHBondContact O-CB 3.37Å; G374-N401 PolarHBondContact O-ND2 3.08Å; I379-N401 HydrophobicContact CD1-CB 3.59Å; D397-N401 VanDerWaalsContact O-CG 3.22Å; D397-N401 PolarHBondContact O-N 3.23Å; D397-N401 PolarHBondContact O-OD1 2.86Å; D397-N401 PolarHBondContact OD2-ND2 2.66Å; Q398-N401 PolarHBondContact O-N 2.82Å; N401-H404 WeakPolarHBondContact O-CB 3.36Å; N401-H404 PolarHBondContact O-N 3.31Å; N401-M405 PolarHBondContact O-N 2.87Å; N401-M405 VanDerWaalsContact O-N 3.16Å |
| 402 | M | 98.1 | Very high | 96.3 | Very high | 0 Ų | 0 | 19.2 Ų | 19.2 | 0% | 0 | 12% | 0.121 | C | C | . | . | H | α-helix | trans | -67.6 | -36.3 | 176.9 | -68.9 | -49.2 | -48.5 | 0 | 0 | 112.6 | G391 P393 Q398 P399 D400 H404 M405 E406 A411 T413 | G391-M402 VanDerWaalsContact CA-CE 3.45Å; P393-M402 HydrophobicContact CB-CG 4.3Å; P393-M402 HydrophobicContact CG-CG 4.25Å; Q398-M402 WeakPolarHBondContact O-CG 3.33Å; Q398-M402 PolarHBondContact O-N 2.95Å; Q398-M402 VanDerWaalsContact O-N 3.07Å; P399-M402 PolarHBondContact O-N 3.44Å; D400-M402 PolarHBondContact O-N 3.08Å; M402-H404 VanDerWaalsContact C-N 3.28Å; M402-H404 PolarHBondContact O-N 2.85Å; M402-M405 HydrophobicContact CE-CB 4.45Å; M402-M405 PolarHBondContact O-N 3.19Å; M402-M405 VanDerWaalsContact O-N 3.16Å; M402-E406 WeakPolarHBondContact O-CB 3.46Å; M402-E406 WeakPolarHBondContact O-CG 3.18Å; M402-E406 PolarHBondContact O-N 3.29Å; M402-A411 HydrophobicContact CE-CB 3.47Å; M402-A411 VanDerWaalsContact CE-CB 3.47Å; M402-T413 HydrophobicContact CB-CG2 4.36Å; M402-T413 WeakPolarHBondContact CB-OG1 3.39Å |
| 403 | V | 98 | Very high | 96.3 | Very high | 26 Ų | 26 | 21 Ų | 21 | 16% | 0.158 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -58 | -42 | 172.1 | 170 | 0 | 0 | 0 | 0 | 111.1 | K199 T201 P399 D400 M405 E406 A407 | K199-V403 HydrophobicContact CB-CG2 4.04Å; T201-V403 HydrophobicContact CG2-CG1 3.8Å; P399-V403 PolarHBondContact O-N 3.48Å; D400-V403 WeakPolarHBondContact O-CB 3.33Å; D400-V403 PolarHBondContact O-N 2.92Å; V403-M405 PolarHBondContact O-N 3.17Å; V403-E406 PolarHBondContact O-N 2.9Å; V403-A407 WeakPolarHBondContact O-CB 3.23Å; V403-A407 PolarHBondContact O-N 3.38Å |
| 404 | H | 98 | Very high | 96.4 | Very high | 10 Ų | 10 | 20.5 Ų | 20.5 | 5% | 0.046 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 176.2 | -69 | 73.7 | 0 | 0 | 0 | 111.8 | F263 D264 F265 D400 N401 M402 A407 K408 | F263-H404 HydrophobicContact CD2-CB 4.29Å; F263-H404 HydrophobicContact CE2-CB 3.98Å; F263-H404 WeakPolarHBondContact O-CB 3Å; D264-H404 IonicContact OD1-NE2 3.56Å; F265-H404 AromaticContact CD2-CD2 3.32Å; F265-H404 WeakPolarHBondContact CD2-CD2 3.47Å; F265-H404 AromaticContact CD2-NE2 3.19Å; F265-H404 WeakPolarHBondContact CD2-NE2 3.23Å; F265-H404 AromaticContact CE2-CD2 3.25Å; F265-H404 WeakPolarHBondContact CE2-CD2 3.48Å; F265-H404 AromaticContact CE2-CE1 3.86Å; F265-H404 AromaticContact CE2-CG 3.76Å; F265-H404 AromaticContact CE2-NE2 3.32Å; F265-H404 VanDerWaalsContact CE2-NE2 3.32Å; F265-H404 WeakPolarHBondContact CE2-NE2 3.36Å; F265-H404 AromaticContact CG-CD2 3.99Å; F265-H404 AromaticContact CZ-CD2 3.87Å; D400-H404 PolarHBondContact O-N 2.88Å; D400-H404 PolarHBondContact O-ND1 3.38Å; D400-H404 IonicContact OD2-CE1 2.68Å; N401-H404 WeakPolarHBondContact O-CB 3.36Å; N401-H404 PolarHBondContact O-N 3.31Å; M402-H404 VanDerWaalsContact C-N 3.28Å; M402-H404 PolarHBondContact O-N 2.85Å; H404-A407 PolarHBondContact O-N 2.91Å; H404-K408 WeakPolarHBondContact O-CG 3.29Å; H404-K408 PolarHBondContact O-N 3.13Å; H404-K408 VanDerWaalsContact O-N 3.08Å |
| 405 | M | 98.6 | Very high | 96.6 | Very high | 0 Ų | 0 | 26.8 Ų | 26.8 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -71.2 | -33.3 | -179.2 | -65.6 | -47.1 | -58.1 | 0 | 0 | 113.4 | F263 I379 I383 M389 N401 M402 V403 K408 G409 A410 A411 L444 | F263-M405 HydrophobicContact CD2-CG 4.38Å; F263-M405 HydrophobicContact CD2-SD 3.65Å; F263-M405 HydrophobicContact CE2-CG 4.35Å; F263-M405 HydrophobicContact CE2-SD 4.2Å; I379-M405 HydrophobicContact CD1-CG 4.08Å; I379-M405 HydrophobicContact CG1-CG 4.46Å; I379-M405 HydrophobicContact CG2-CG 4.07Å; I379-M405 HydrophobicContact CG2-SD 3.71Å; I383-M405 HydrophobicContact CD1-CE 4.05Å; I383-M405 HydrophobicContact CD1-SD 4.04Å; I383-M405 HydrophobicContact CG1-CE 4.01Å; M389-M405 HydrophobicContact CE-CB 4.38Å; M389-M405 HydrophobicContact CE-CE 3.3Å; M389-M405 HydrophobicContact CE-CG 3.92Å; M389-M405 HydrophobicContact CE-SD 4.16Å; N401-M405 PolarHBondContact O-N 2.87Å; N401-M405 VanDerWaalsContact O-N 3.16Å; M402-M405 HydrophobicContact CE-CB 4.45Å; M402-M405 PolarHBondContact O-N 3.19Å; M402-M405 VanDerWaalsContact O-N 3.16Å; V403-M405 PolarHBondContact O-N 3.17Å; M405-K408 PolarHBondContact O-N 3.45Å; M405-G409 PolarHBondContact O-N 3.35Å; M405-A410 HydrophobicContact CE-CB 3.69Å; M405-A410 PolarHBondContact O-N 3.45Å; M405-A411 HydrophobicContact CB-CB 3.65Å; M405-A411 PolarHBondContact O-N 3.3Å; M405-L444 HydrophobicContact CE-CD1 3.62Å |
| 406 | E | 98.4 | Very high | 96.8 | Very high | 81 Ų | 81 | 26 Ų | 26 | 38% | 0.379 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -66.4 | -45.8 | 171.2 | -75.2 | -175.7 | 153.6 | 0 | 0 | 111.3 | M402 V403 K408 G409 T413 | M402-E406 WeakPolarHBondContact O-CB 3.46Å; M402-E406 WeakPolarHBondContact O-CG 3.18Å; M402-E406 PolarHBondContact O-N 3.29Å; V403-E406 PolarHBondContact O-N 2.9Å; E406-K408 PolarHBondContact O-N 3.42Å; E406-G409 WeakPolarHBondContact O-CA 3.29Å; E406-G409 PolarHBondContact O-N 2.8Å; E406-T413 WeakPolarHBondContact OE1-CA 3.29Å; E406-T413 WeakPolarHBondContact OE1-CB 3.31Å; E406-T413 PolarHBondContact OE1-N 3.41Å; E406-T413 PolarHBondContact OE1-OG1 3.21Å |
| 407 | A | 98.1 | Very high | 97.1 | Very high | 61 Ų | 61 | 25.9 Ų | 25.9 | 50% | 0.504 | 15% | 0.145 | S | C | . | . | H | α-helix | trans | -60.2 | -31.1 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.4 | T201 F265 V403 H404 G409 | T201-A407 HydrophobicContact CG2-CB 4.31Å; F265-A407 HydrophobicContact CE1-CB 4.04Å; F265-A407 HydrophobicContact CZ-CB 3.89Å; V403-A407 WeakPolarHBondContact O-CB 3.23Å; V403-A407 PolarHBondContact O-N 3.38Å; H404-A407 PolarHBondContact O-N 2.91Å; A407-G409 VanDerWaalsContact C-N 3.32Å |
| 408 | K | 98 | Very high | 97.4 | Very high | 31 Ų | 31 | 30 Ų | 30 | 14% | 0.135 | 16% | 0.162 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -85.1 | -2 | 173.5 | -64.6 | -178.3 | -160.9 | -82.6 | 0 | 113.9 | W261 D262 F263 D264 H404 M405 E406 A410 L444 | W261-K408 PolarHBondContact O-NZ 3.11Å; D262-K408 WeakPolarHBondContact O-CD 3.41Å; D262-K408 WeakPolarHBondContact O-CE 3.45Å; F263-K408 WeakPolarHBondContact O-CE 3.34Å; D264-K408 PolarHBondContact O-NZ 2.83Å; H404-K408 WeakPolarHBondContact O-CG 3.29Å; H404-K408 PolarHBondContact O-N 3.13Å; H404-K408 VanDerWaalsContact O-N 3.08Å; M405-K408 PolarHBondContact O-N 3.45Å; E406-K408 PolarHBondContact O-N 3.42Å; K408-A410 VanDerWaalsContact C-N 3.32Å; K408-A410 PolarHBondContact O-N 3.28Å; K408-L444 HydrophobicContact CB-CD1 4Å; K408-L444 HydrophobicContact CB-CD2 4.44Å; K408-L444 HydrophobicContact CD-CD1 3.97Å; K408-L444 HydrophobicContact CD-CD2 3.87Å |
| 409 | G | 98.2 | Very high | 97.4 | Very high | 19 Ų | 19 | 30 Ų | 30 | 20% | 0.196 | 16% | 0.163 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 69.3 | 24.9 | 175.9 | 0 | 0 | 0 | 0 | 0 | 114.3 | M405 E406 A407 Y437 N440 | M405-G409 PolarHBondContact O-N 3.35Å; E406-G409 WeakPolarHBondContact O-CA 3.29Å; E406-G409 PolarHBondContact O-N 2.8Å; A407-G409 VanDerWaalsContact C-N 3.32Å; G409-Y437 VanDerWaalsContact O-CD1 3.25Å; G409-Y437 WeakPolarHBondContact O-CD1 3.34Å; G409-N440 WeakPolarHBondContact O-CB 3.36Å; G409-N440 PolarHBondContact O-ND2 3.19Å |
| 410 | A | 98.4 | Very high | 97.5 | Very high | 0 Ų | 0 | 31.9 Ų | 31.9 | 0% | 0 | 17% | 0.173 | C | C | . | . | S | Bend | trans | -109.9 | -1.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.3 | P388 M389 M405 K408 N440 A441 L444 | P388-A410 WeakPolarHBondContact CA-O 3.38Å; M389-A410 PolarHBondContact N-O 3.46Å; M405-A410 HydrophobicContact CE-CB 3.69Å; M405-A410 PolarHBondContact O-N 3.45Å; K408-A410 VanDerWaalsContact C-N 3.32Å; K408-A410 PolarHBondContact O-N 3.28Å; A410-N440 HydrophobicContact CB-CB 4.39Å; A410-A441 HydrophobicContact CB-CB 4.44Å; A410-L444 HydrophobicContact CB-CD1 3.85Å |
| 411 | A | 98.5 | Very high | 97.6 | Very high | 3 Ų | 3 | 32.6 Ų | 32.6 | 3% | 0.025 | 18% | 0.178 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163.9 | 178 | 0 | 0 | 0 | 0 | 0 | 114 | M389 M402 M405 Y437 | M389-A411 HydrophobicContact CB-CB 3.93Å; M389-A411 WeakPolarHBondContact O-CA 3.44Å; M402-A411 HydrophobicContact CE-CB 3.47Å; M402-A411 VanDerWaalsContact CE-CB 3.47Å; M405-A411 HydrophobicContact CB-CB 3.65Å; M405-A411 PolarHBondContact O-N 3.3Å; A411-Y437 WeakPolarHBondContact O-CE1 3.41Å |
| 412 | V | 98.4 | Very high | 97.6 | Very high | 23 Ų | 23 | 36.4 Ų | 36.4 | 14% | 0.139 | 20% | 0.195 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -126.7 | 138.2 | 166.3 | 175.9 | 0 | 0 | 0 | 0 | 108.7 | M389 V390 G391 A427 M430 V431 Y437 | M389-V412 PolarHBondContact O-N 3.29Å; M389-V412 VanDerWaalsContact O-N 3.09Å; V390-V412 CarbonylContact C-O 3.54Å; V390-V412 WeakPolarHBondContact CA-O 3.39Å; G391-V412 PolarHBondContact N-O 3.49Å; V412-A427 HydrophobicContact CG1-CB 4.15Å; V412-M430 HydrophobicContact CG2-SD 3.94Å; V412-V431 HydrophobicContact CB-CG2 4.11Å; V412-V431 HydrophobicContact CG2-CG2 3.74Å; V412-Y437 HydrophobicContact CG2-CE1 3.7Å; V412-Y437 HydrophobicContact CG2-CE2 4.29Å; V412-Y437 VanDerWaalsContact CG2-CZ 3.47Å; V412-Y437 WeakPolarHBondContact CG2-OH 3.16Å |
| 413 | T | 98.3 | Very high | 97.6 | Very high | 38 Ų | 38 | 38.5 Ų | 38.5 | 23% | 0.233 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.2 | 136.8 | 178.7 | -51 | 0 | 0 | 0 | 0 | 112.5 | G391 P393 M402 E406 | G391-T413 CarbonylContact O-C 3.51Å; G391-T413 WeakPolarHBondContact O-CA 3.35Å; P393-T413 HydrophobicContact CG-CG2 3.71Å; M402-T413 HydrophobicContact CB-CG2 4.36Å; M402-T413 WeakPolarHBondContact CB-OG1 3.39Å; E406-T413 WeakPolarHBondContact OE1-CA 3.29Å; E406-T413 WeakPolarHBondContact OE1-CB 3.31Å; E406-T413 PolarHBondContact OE1-N 3.41Å; E406-T413 PolarHBondContact OE1-OG1 3.21Å |
| 414 | V | 97.8 | Very high | 97.7 | Very high | 11 Ų | 11 | 37.3 Ų | 37.3 | 7% | 0.067 | 20% | 0.203 | C | C | . | . | trans | -120.5 | 123.5 | 170.6 | -172.2 | 0 | 0 | 0 | 0 | 108.2 | V390 G391 F416 M419 A427 | V390-V414 HydrophobicContact CG1-CG2 3.97Å; G391-V414 PolarHBondContact O-N 3.39Å; V414-F416 PolarHBondContact O-N 2.9Å; V414-M419 HydrophobicContact CG1-CB 3.41Å; V414-M419 VanDerWaalsContact CG1-CB 3.41Å; V414-A427 HydrophobicContact CG2-CB 3.52Å | ||
| 415 | K | 95.4 | Very high | 97.7 | Very high | 139 Ų | 139 | 39.8 Ų | 39.8 | 60% | 0.604 | 21% | 0.212 | S | C | * | . | trans | -75 | 119.7 | -176.7 | -63.9 | -175.7 | 178.7 | -177.1 | 0 | 111 | N417 F418 M419 | K415-N417 PolarHBondContact O-N 3.37Å; K415-F418 HydrophobicContact CB-CB 4.37Å; K415-F418 HydrophobicContact CB-CD2 3.93Å; K415-F418 HydrophobicContact CD-CD2 3.96Å; K415-F418 CarbonylContact O-C 3.53Å; K415-F418 PolarHBondContact O-N 3.18Å; K415-F418 VanDerWaalsContact O-N 3.07Å; K415-M419 WeakPolarHBondContact O-CB 3.44Å; K415-M419 PolarHBondContact O-N 3.43Å | ||
| 416 | F | 96.3 | Very high | 97.7 | Very high | 3 Ų | 3 | 43.2 Ų | 43.2 | 1% | 0.013 | 23% | 0.23 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -49.7 | -48.7 | -174.4 | 175.9 | -108.1 | 0 | 0 | 0 | 114.2 | M96 Y97 V315 K319 I392 M394 V414 F418 M419 | M96-F416 HydrophobicContact CE-CE1 4.36Å; M96-F416 HydrophobicContact CE-CZ 4.42Å; Y97-F416 HydrophobicContact CD1-CE1 4.01Å; Y97-F416 AromaticContact CE1-CE1 3.5Å; Y97-F416 HydrophobicContact CE1-CE1 3.5Å; Y97-F416 AromaticContact CE1-CZ 3.92Å; Y97-F416 HydrophobicContact CE1-CZ 3.92Å; V315-F416 HydrophobicContact CB-CE2 4.41Å; V315-F416 HydrophobicContact CB-CZ 4.26Å; V315-F416 HydrophobicContact CG1-CE2 3.88Å; V315-F416 HydrophobicContact CG1-CZ 3.95Å; K319-F416 HydrophobicContact CB-CE2 4.47Å; K319-F416 HydrophobicContact CB-CZ 4.45Å; K319-F416 HydrophobicContact CD-CE2 4.47Å; K319-F416 HydrophobicContact CD-CZ 4.49Å; K319-F416 HydrophobicContact CG-CE2 4.41Å; K319-F416 HydrophobicContact CG-CZ 4.13Å; K319-F416 PolarHBondContact NZ-O 3.4Å; I392-F416 HydrophobicContact CG2-CB 3.93Å; I392-F416 HydrophobicContact CG2-CD2 4.02Å; I392-F416 HydrophobicContact CG2-CG 4.47Å; M394-F416 HydrophobicContact CE-CD1 3.88Å; M394-F416 HydrophobicContact CE-CD2 3.5Å; M394-F416 HydrophobicContact CE-CE1 3.89Å; M394-F416 HydrophobicContact CE-CE2 3.52Å; M394-F416 HydrophobicContact CE-CG 3.69Å; M394-F416 HydrophobicContact CE-CZ 3.71Å; M394-F416 HydrophobicContact SD-CB 3.93Å; M394-F416 HydrophobicContact SD-CD1 4.39Å; M394-F416 HydrophobicContact SD-CD2 3.62Å; M394-F416 HydrophobicContact SD-CE2 4.24Å; M394-F416 HydrophobicContact SD-CG 3.72Å; V414-F416 PolarHBondContact O-N 2.9Å; F416-F418 PolarHBondContact O-N 3.06Å; F416-M419 HydrophobicContact CD2-CE 3.62Å; F416-M419 HydrophobicContact CE2-CE 3.89Å; F416-M419 WeakPolarHBondContact O-CG 3.25Å |
| 417 | N | 95.1 | Very high | 97.7 | Very high | 25 Ų | 25 | 39.7 Ų | 39.7 | 13% | 0.134 | 22% | 0.215 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -32.4 | -177.5 | -73.2 | -46.6 | 0 | 0 | 0 | 113.2 | M96 D100 F101 K319 K415 | M96-N417 PolarHBondContact O-ND2 2.91Å; M96-N417 PolarHBondContact O-OD1 3.07Å; D100-N417 PolarHBondContact OD2-ND2 3.49Å; F101-N417 HydrophobicContact CE2-CB 4.2Å; F101-N417 HydrophobicContact CZ-CB 3.88Å; K319-N417 PolarHBondContact NZ-O 2.96Å; K415-N417 PolarHBondContact O-N 3.37Å |
| 418 | F | 95.5 | Very high | 97.8 | Very high | 110 Ų | 110 | 36.8 Ų | 36.8 | 48% | 0.482 | 19% | 0.191 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -105.2 | 1 | -173.6 | -50.9 | -71.1 | 0 | 0 | 0 | 114.4 | D100 F101 K415 F416 | D100-F418 HydrophobicContact CB-CE2 4.1Å; D100-F418 HydrophobicContact CB-CZ 4.31Å; F101-F418 HydrophobicContact CD1-CE1 4.48Å; F101-F418 HydrophobicContact CD1-CZ 4.37Å; F101-F418 AromaticContact CE1-CE1 3.76Å; F101-F418 HydrophobicContact CE1-CE1 3.76Å; F101-F418 AromaticContact CE1-CZ 3.92Å; F101-F418 HydrophobicContact CE1-CZ 3.92Å; F101-F418 HydrophobicContact CZ-CE1 4.38Å; F101-F418 HydrophobicContact CZ-CZ 4.45Å; K415-F418 HydrophobicContact CB-CB 4.37Å; K415-F418 HydrophobicContact CB-CD2 3.93Å; K415-F418 HydrophobicContact CD-CD2 3.96Å; K415-F418 CarbonylContact O-C 3.53Å; K415-F418 PolarHBondContact O-N 3.18Å; K415-F418 VanDerWaalsContact O-N 3.07Å; F416-F418 PolarHBondContact O-N 3.06Å |
| 419 | M | 96.3 | Very high | 97.8 | Very high | 6 Ų | 6 | 37.4 Ų | 37.4 | 3% | 0.03 | 20% | 0.196 | C | C | . | . | trans | -68.7 | 150.4 | -179.7 | 76 | -173.9 | 168.3 | 0 | 0 | 112 | K319 M322 I323 I392 V414 K415 F416 | K319-M419 HydrophobicContact CD-CE 3.99Å; M322-M419 WeakPolarHBondContact CE-O 3.18Å; M322-M419 HydrophobicContact SD-CG 3.83Å; I323-M419 HydrophobicContact CD1-CE 3.67Å; I323-M419 HydrophobicContact CG1-CE 3.64Å; I392-M419 HydrophobicContact CD1-SD 4.47Å; I392-M419 HydrophobicContact CG2-SD 4.2Å; V414-M419 HydrophobicContact CG1-CB 3.41Å; V414-M419 VanDerWaalsContact CG1-CB 3.41Å; K415-M419 WeakPolarHBondContact O-CB 3.44Å; K415-M419 PolarHBondContact O-N 3.43Å; F416-M419 HydrophobicContact CD2-CE 3.62Å; F416-M419 HydrophobicContact CE2-CE 3.89Å; F416-M419 WeakPolarHBondContact O-CG 3.25Å | ||
| 420 | T | 98.2 | Very high | 97.8 | Very high | 62 Ų | 62 | 40.9 Ų | 40.9 | 38% | 0.38 | 21% | 0.208 | S | C | . | . | trans | -119.9 | 169.7 | 169.7 | 77.2 | 0 | 0 | 0 | 0 | 109.5 | E422 S423 L424 | T420-E422 VanDerWaalsContact C-N 3.26Å; T420-E422 WeakPolarHBondContact CB-OE2 3.39Å; T420-E422 PolarHBondContact O-N 3.46Å; T420-E422 PolarHBondContact OG1-N 2.91Å; T420-E422 PolarHBondContact OG1-OE2 3.32Å; T420-S423 PolarHBondContact N-OG 3.41Å; T420-S423 PolarHBondContact O-N 2.98Å; T420-S423 PolarHBondContact O-OG 3.27Å; T420-S423 PolarHBondContact OG1-N 3.26Å; T420-L424 PolarHBondContact O-N 2.91Å | ||
| 421 | T | 98.4 | Very high | 97.8 | Very high | 25 Ų | 25 | 41 Ų | 41 | 15% | 0.153 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -53.5 | -45.7 | 173.3 | -58 | 0 | 0 | 0 | 0 | 111.5 | A326 Q329 R425 | A326-T421 HydrophobicContact CB-CG2 3.97Å; A326-T421 WeakPolarHBondContact CB-O 3.42Å; Q329-T421 VanDerWaalsContact NE2-CG2 3.32Å; T421-R425 WeakPolarHBondContact O-CB 3.32Å; T421-R425 PolarHBondContact O-N 3.36Å; T421-R425 VanDerWaalsContact O-N 3.13Å |
| 422 | E | 98.5 | Very high | 97.8 | Very high | 91 Ų | 91 | 42.5 Ų | 42.5 | 43% | 0.425 | 22% | 0.216 | S | C | . | . | H | α-helix | trans | -69.4 | -44.2 | -177.7 | -58.7 | 68.2 | -146.7 | 0 | 0 | 110.8 | T420 L424 R425 D426 | T420-E422 VanDerWaalsContact C-N 3.26Å; T420-E422 WeakPolarHBondContact CB-OE2 3.39Å; T420-E422 PolarHBondContact O-N 3.46Å; T420-E422 PolarHBondContact OG1-N 2.91Å; T420-E422 PolarHBondContact OG1-OE2 3.32Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 3.47Å; E422-R425 PolarHBondContact O-N 2.83Å; E422-D426 VanDerWaalsContact O-CB 3.25Å; E422-D426 WeakPolarHBondContact O-CB 3.49Å; E422-D426 PolarHBondContact O-N 3.48Å |
| 423 | S | 98.1 | Very high | 97.8 | Very high | 44 Ų | 44 | 46.9 Ų | 46.9 | 31% | 0.308 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -64.5 | -37.8 | -177.4 | 74.4 | 0 | 0 | 0 | 0 | 112.3 | T420 A427 | T420-S423 PolarHBondContact N-OG 3.41Å; T420-S423 PolarHBondContact O-N 2.98Å; T420-S423 PolarHBondContact O-OG 3.27Å; T420-S423 PolarHBondContact OG1-N 3.26Å; S423-A427 VanDerWaalsContact O-CB 3.32Å; S423-A427 WeakPolarHBondContact O-CB 3.27Å; S423-A427 PolarHBondContact O-N 3.34Å |
| 424 | L | 98.8 | Very high | 97.8 | Very high | 2 Ų | 2 | 48.7 Ų | 48.7 | 1% | 0.01 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -68 | -47.4 | 174.2 | 179.2 | 56.9 | 0 | 0 | 0 | 111.8 | I323 A326 V390 I392 T420 E422 D426 A427 V428 | I323-L424 HydrophobicContact CB-CD2 4.41Å; I323-L424 HydrophobicContact CG1-CD2 4.22Å; I323-L424 HydrophobicContact CG2-CD2 4.17Å; A326-L424 HydrophobicContact CB-CB 4.05Å; A326-L424 HydrophobicContact CB-CD2 4.01Å; A326-L424 HydrophobicContact CB-CG 4.12Å; V390-L424 HydrophobicContact CG1-CD1 4.16Å; I392-L424 HydrophobicContact CD1-CD1 3.86Å; I392-L424 HydrophobicContact CD1-CD2 4.42Å; T420-L424 PolarHBondContact O-N 2.91Å; E422-L424 VanDerWaalsContact C-N 3.33Å; E422-L424 PolarHBondContact O-N 3.47Å; L424-D426 VanDerWaalsContact C-N 3.3Å; L424-D426 PolarHBondContact O-N 2.83Å; L424-A427 PolarHBondContact O-N 2.99Å; L424-V428 HydrophobicContact CD1-CG2 4.32Å; L424-V428 WeakPolarHBondContact O-CG2 3.21Å; L424-V428 PolarHBondContact O-N 3.48Å; L424-V428 VanDerWaalsContact O-N 3.08Å |
| 425 | R | 98.7 | Very high | 97.8 | Very high | 61 Ų | 61 | 55.5 Ų | 55.5 | 23% | 0.23 | 28% | 0.276 | C | S | . | . | H | α-helix | trans | -56.4 | -47 | 176.5 | 178.4 | -159.1 | 68.8 | -155.8 | -4.2 | 111.2 | A326 Q329 L330 T421 E422 V428 N429 | A326-R425 HydrophobicContact CB-CB 4.42Å; Q329-R425 HydrophobicContact CB-CG 4.25Å; Q329-R425 VanDerWaalsContact OE1-CD 3.26Å; L330-R425 HydrophobicContact CD2-CG 4.19Å; T421-R425 WeakPolarHBondContact O-CB 3.32Å; T421-R425 PolarHBondContact O-N 3.36Å; T421-R425 VanDerWaalsContact O-N 3.13Å; E422-R425 PolarHBondContact O-N 2.83Å; R425-V428 PolarHBondContact O-N 3.32Å; R425-N429 WeakPolarHBondContact O-CB 3.22Å; R425-N429 PolarHBondContact O-N 3.27Å; R425-N429 PolarHBondContact O-ND2 2.82Å |
| 426 | D | 98.7 | Very high | 98 | Very high | 73 Ų | 73 | 51 Ų | 51 | 39% | 0.39 | 26% | 0.261 | S | S | . | . | H | α-helix | trans | -69.7 | -37.2 | -175.6 | -66.7 | -13.6 | 0 | 0 | 0 | 111.3 | E422 L424 N429 M430 | E422-D426 VanDerWaalsContact O-CB 3.25Å; E422-D426 WeakPolarHBondContact O-CB 3.49Å; E422-D426 PolarHBondContact O-N 3.48Å; L424-D426 VanDerWaalsContact C-N 3.3Å; L424-D426 PolarHBondContact O-N 2.83Å; D426-N429 PolarHBondContact O-N 3.49Å; D426-M430 VanDerWaalsContact O-CB 3.24Å; D426-M430 WeakPolarHBondContact O-CB 3.49Å; D426-M430 PolarHBondContact O-N 3.42Å |
| 427 | A | 98.8 | Very high | 98.1 | Very high | 7 Ų | 7 | 52.6 Ų | 52.6 | 6% | 0.058 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -61.6 | -44.5 | 172.5 | 0 | 0 | 0 | 0 | 0 | 112.1 | V390 V412 V414 S423 L424 M430 V431 | V390-A427 HydrophobicContact CG1-CB 3.86Å; V390-A427 HydrophobicContact CG2-CB 4.23Å; V412-A427 HydrophobicContact CG1-CB 4.15Å; V414-A427 HydrophobicContact CG2-CB 3.52Å; S423-A427 VanDerWaalsContact O-CB 3.32Å; S423-A427 WeakPolarHBondContact O-CB 3.27Å; S423-A427 PolarHBondContact O-N 3.34Å; L424-A427 PolarHBondContact O-N 2.99Å; A427-M430 PolarHBondContact O-N 2.84Å; A427-V431 WeakPolarHBondContact O-CG2 3.32Å; A427-V431 PolarHBondContact O-N 2.91Å |
| 428 | V | 98.8 | Very high | 98.3 | Very high | 0 Ų | 0 | 55.3 Ų | 55.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | H | α-helix | trans | -64 | -46.9 | 177 | 176.7 | 0 | 0 | 0 | 0 | 110.9 | V304 L330 I371 V390 L424 R425 M430 V431 I432 | V304-V428 HydrophobicContact CG2-CG1 4.11Å; L330-V428 HydrophobicContact CD1-CB 4.38Å; L330-V428 HydrophobicContact CD1-CG1 3.8Å; L330-V428 HydrophobicContact CD2-CB 4.15Å; L330-V428 HydrophobicContact CD2-CG1 3.92Å; I371-V428 HydrophobicContact CD1-CG2 3.7Å; I371-V428 HydrophobicContact CG1-CG2 3.95Å; V390-V428 HydrophobicContact CG2-CB 4.48Å; V390-V428 HydrophobicContact CG2-CG2 3.97Å; L424-V428 HydrophobicContact CD1-CG2 4.32Å; L424-V428 WeakPolarHBondContact O-CG2 3.21Å; L424-V428 PolarHBondContact O-N 3.48Å; L424-V428 VanDerWaalsContact O-N 3.08Å; R425-V428 PolarHBondContact O-N 3.32Å; V428-M430 VanDerWaalsContact C-N 3.29Å; V428-M430 PolarHBondContact O-N 2.86Å; V428-V431 PolarHBondContact O-N 3.45Å; V428-I432 HydrophobicContact CG1-CD1 3.72Å; V428-I432 HydrophobicContact CG1-CG1 4.42Å; V428-I432 WeakPolarHBondContact O-CG1 3.35Å; V428-I432 PolarHBondContact O-N 3.5Å |
| 429 | N | 98.7 | Very high | 98.4 | Very high | 44 Ų | 44 | 56 Ų | 56 | 24% | 0.235 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -61 | -38.2 | 176.2 | -80.3 | -33 | 0 | 0 | 0 | 112.2 | R425 D426 N433 | R425-N429 WeakPolarHBondContact O-CB 3.22Å; R425-N429 PolarHBondContact O-N 3.27Å; R425-N429 PolarHBondContact O-ND2 2.82Å; D426-N429 PolarHBondContact O-N 3.49Å; N429-N433 WeakPolarHBondContact O-CB 3.35Å; N429-N433 VanDerWaalsContact O-CG 3.31Å; N429-N433 PolarHBondContact O-N 2.87Å; N429-N433 PolarHBondContact O-ND2 3.11Å |
| 430 | M | 98.5 | Very high | 98.5 | Very high | 92 Ų | 92 | 57.7 Ų | 57.7 | 45% | 0.453 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -49.9 | 177.2 | -178.4 | -177.7 | -60 | 0 | 0 | 111.1 | V412 D426 A427 V428 I432 N433 N434 Y437 | V412-M430 HydrophobicContact CG2-SD 3.94Å; D426-M430 VanDerWaalsContact O-CB 3.24Å; D426-M430 WeakPolarHBondContact O-CB 3.49Å; D426-M430 PolarHBondContact O-N 3.42Å; A427-M430 PolarHBondContact O-N 2.84Å; V428-M430 VanDerWaalsContact C-N 3.29Å; V428-M430 PolarHBondContact O-N 2.86Å; M430-I432 VanDerWaalsContact C-N 3.33Å; M430-I432 PolarHBondContact O-N 3.16Å; M430-N433 PolarHBondContact O-N 3.45Å; M430-N434 VanDerWaalsContact O-CB 3.22Å; M430-N434 WeakPolarHBondContact O-CB 3.35Å; M430-N434 PolarHBondContact O-N 2.97Å; M430-Y437 HydrophobicContact CG-CE2 3.83Å; M430-Y437 HydrophobicContact SD-CE2 4.26Å |
| 431 | V | 98.5 | Very high | 98.6 | Very high | 1 Ų | 1 | 54.9 Ų | 54.9 | 1% | 0.006 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -66 | -35.8 | -177.8 | 169.2 | 0 | 0 | 0 | 0 | 112.2 | A369 P388 V390 V412 A427 V428 Y437 | A369-V431 HydrophobicContact CB-CG1 4.23Å; P388-V431 HydrophobicContact CB-CG1 3.53Å; P388-V431 HydrophobicContact CG-CG1 3.59Å; V390-V431 HydrophobicContact CG2-CB 4.21Å; V390-V431 HydrophobicContact CG2-CG2 3.86Å; V412-V431 HydrophobicContact CB-CG2 4.11Å; V412-V431 HydrophobicContact CG2-CG2 3.74Å; A427-V431 WeakPolarHBondContact O-CG2 3.32Å; A427-V431 PolarHBondContact O-N 2.91Å; V428-V431 PolarHBondContact O-N 3.45Å; V431-Y437 HydrophobicContact CG2-CD1 4.43Å; V431-Y437 HydrophobicContact CG2-CD2 4.42Å; V431-Y437 HydrophobicContact CG2-CG 4.34Å |
| 432 | I | 98.5 | Very high | 98.6 | Very high | 36 Ų | 36 | 58 Ų | 58 | 19% | 0.185 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -74.9 | -43.1 | 178.8 | -68.1 | 177.2 | 0 | 0 | 0 | 111.8 | V304 Q332 K368 A369 V428 M430 | V304-I432 HydrophobicContact CG2-CD1 3.91Å; Q332-I432 HydrophobicContact CG-CD1 4.15Å; K368-I432 HydrophobicContact CB-CD1 4.01Å; K368-I432 HydrophobicContact CB-CG1 3.97Å; K368-I432 HydrophobicContact CB-CG2 4.33Å; A369-I432 HydrophobicContact CB-CD1 4.14Å; A369-I432 HydrophobicContact CB-CG1 3.75Å; V428-I432 HydrophobicContact CG1-CD1 3.72Å; V428-I432 HydrophobicContact CG1-CG1 4.42Å; V428-I432 WeakPolarHBondContact O-CG1 3.35Å; V428-I432 PolarHBondContact O-N 3.5Å; M430-I432 VanDerWaalsContact C-N 3.33Å; M430-I432 PolarHBondContact O-N 3.16Å |
| 433 | N | 98.1 | Very high | 98.6 | Very high | 114 Ų | 114 | 59.5 Ų | 59.5 | 61% | 0.61 | 29% | 0.291 | S | S | * | . | H | α-helix | trans | -92.4 | -25.1 | -169 | -63.3 | -49.6 | 0 | 0 | 0 | 113.6 | N429 M430 K435 | N429-N433 WeakPolarHBondContact O-CB 3.35Å; N429-N433 VanDerWaalsContact O-CG 3.31Å; N429-N433 PolarHBondContact O-N 2.87Å; N429-N433 PolarHBondContact O-ND2 3.11Å; M430-N433 PolarHBondContact O-N 3.45Å; N433-K435 PolarHBondContact O-N 3.45Å |
| 434 | N | 98.5 | Very high | 98.6 | Very high | 76 Ų | 76 | 57.5 Ų | 57.5 | 41% | 0.406 | 28% | 0.277 | S | S | . | . | trans | -85.6 | 110.5 | 173.8 | -176.1 | -6.2 | 0 | 0 | 0 | 110.3 | M430 S436 Y437 | M430-N434 VanDerWaalsContact O-CB 3.22Å; M430-N434 WeakPolarHBondContact O-CB 3.35Å; M430-N434 PolarHBondContact O-N 2.97Å; N434-S436 PolarHBondContact ND2-OG 2.99Å; N434-S436 PolarHBondContact O-N 3.39Å; N434-S436 VanDerWaalsContact O-N 3.11Å; N434-S436 PolarHBondContact OD1-N 3.29Å; N434-S436 PolarHBondContact OD1-OG 3.17Å; N434-S436 VanDerWaalsContact OD1-OG 3.06Å; N434-Y437 HydrophobicContact CB-CD2 3.9Å; N434-Y437 HydrophobicContact CB-CE2 4.1Å; N434-Y437 PolarHBondContact O-N 2.85Å | ||
| 435 | K | 97.9 | Very high | 98.6 | Very high | 155 Ų | 155 | 58 Ų | 58 | 67% | 0.674 | 28% | 0.28 | S | S | * | . | H | α-helix | trans | -56.6 | -29.5 | -175.7 | -65.3 | -176.3 | -179.9 | -180 | 0 | 113.7 | N433 Y437 K438 E439 | N433-K435 PolarHBondContact O-N 3.45Å; K435-Y437 PolarHBondContact O-N 2.87Å; K435-K438 PolarHBondContact O-N 3.43Å; K435-K438 VanDerWaalsContact O-N 3.16Å; K435-E439 WeakPolarHBondContact O-CG 3.22Å; K435-E439 PolarHBondContact O-N 3.23Å |
| 436 | S | 98.6 | Very high | 98.6 | Very high | 44 Ų | 44 | 62.4 Ų | 62.4 | 31% | 0.308 | 30% | 0.301 | S | S | . | . | H | α-helix | trans | -58.8 | -36.1 | -177.5 | 66.7 | 0 | 0 | 0 | 0 | 112.6 | N434 E439 N440 | N434-S436 PolarHBondContact ND2-OG 2.99Å; N434-S436 PolarHBondContact O-N 3.39Å; N434-S436 VanDerWaalsContact O-N 3.11Å; N434-S436 PolarHBondContact OD1-N 3.29Å; N434-S436 PolarHBondContact OD1-OG 3.17Å; N434-S436 VanDerWaalsContact OD1-OG 3.06Å; S436-E439 PolarHBondContact O-N 3.41Å; S436-N440 VanDerWaalsContact O-CB 3.29Å; S436-N440 WeakPolarHBondContact O-CB 3.39Å; S436-N440 VanDerWaalsContact O-CG 3.27Å; S436-N440 PolarHBondContact O-N 2.92Å; S436-N440 PolarHBondContact O-ND2 3Å; S436-N440 VanDerWaalsContact O-ND2 3.11Å |
| 437 | Y | 98.8 | Very high | 98.6 | Very high | 36 Ų | 36 | 62 Ų | 62 | 14% | 0.141 | 30% | 0.299 | C | S | . | . | H | α-helix | trans | -65.2 | -46 | 178.2 | -70 | -73.7 | 0 | 0 | 0 | 111.8 | G409 A411 V412 M430 V431 N434 K435 N440 A441 | G409-Y437 VanDerWaalsContact O-CD1 3.25Å; G409-Y437 WeakPolarHBondContact O-CD1 3.34Å; A411-Y437 WeakPolarHBondContact O-CE1 3.41Å; V412-Y437 HydrophobicContact CG2-CE1 3.7Å; V412-Y437 HydrophobicContact CG2-CE2 4.29Å; V412-Y437 VanDerWaalsContact CG2-CZ 3.47Å; V412-Y437 WeakPolarHBondContact CG2-OH 3.16Å; M430-Y437 HydrophobicContact CG-CE2 3.83Å; M430-Y437 HydrophobicContact SD-CE2 4.26Å; V431-Y437 HydrophobicContact CG2-CD1 4.43Å; V431-Y437 HydrophobicContact CG2-CD2 4.42Å; V431-Y437 HydrophobicContact CG2-CG 4.34Å; N434-Y437 HydrophobicContact CB-CD2 3.9Å; N434-Y437 HydrophobicContact CB-CE2 4.1Å; N434-Y437 PolarHBondContact O-N 2.85Å; K435-Y437 PolarHBondContact O-N 2.87Å; Y437-N440 PolarHBondContact O-N 3.17Å; Y437-A441 WeakPolarHBondContact O-CB 3.37Å; Y437-A441 PolarHBondContact O-N 3.26Å |
| 438 | K | 98.6 | Very high | 98.5 | Very high | 82 Ų | 82 | 62 Ų | 62 | 36% | 0.357 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.2 | -42.2 | 177.1 | -178.2 | 60.1 | 178.7 | 178.7 | 0 | 111.2 | G386 K435 N440 A441 M442 | G386-K438 PolarHBondContact O-NZ 3.08Å; K435-K438 PolarHBondContact O-N 3.43Å; K435-K438 VanDerWaalsContact O-N 3.16Å; K438-N440 PolarHBondContact O-N 3.46Å; K438-A441 PolarHBondContact O-N 3.41Å; K438-M442 HydrophobicContact CD-CG 4.16Å; K438-M442 HydrophobicContact CG-CG 4.42Å; K438-M442 WeakPolarHBondContact O-CB 3.34Å; K438-M442 VanDerWaalsContact O-CG 3.24Å; K438-M442 WeakPolarHBondContact O-CG 3.27Å; K438-M442 PolarHBondContact O-N 3.16Å |
| 439 | E | 98.8 | Very high | 98.4 | Very high | 124 Ų | 124 | 66.5 Ų | 66.5 | 58% | 0.579 | 32% | 0.318 | S | S | * | . | H | α-helix | trans | -60.8 | -44.2 | 176.7 | -72.7 | 170 | -178.9 | 0 | 0 | 111.6 | K435 S436 M442 R443 | K435-E439 WeakPolarHBondContact O-CG 3.22Å; K435-E439 PolarHBondContact O-N 3.23Å; S436-E439 PolarHBondContact O-N 3.41Å; E439-M442 PolarHBondContact O-N 3.33Å; E439-R443 WeakPolarHBondContact O-CB 3.35Å; E439-R443 PolarHBondContact O-N 3.09Å |
| 440 | N | 98.8 | Very high | 98.3 | Very high | 42 Ų | 42 | 70.6 Ų | 70.6 | 23% | 0.225 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -65.8 | -45.2 | 175.6 | -76.1 | -35.6 | 0 | 0 | 0 | 112 | G409 A410 S436 Y437 K438 M442 R443 L444 | G409-N440 WeakPolarHBondContact O-CB 3.36Å; G409-N440 PolarHBondContact O-ND2 3.19Å; A410-N440 HydrophobicContact CB-CB 4.39Å; S436-N440 VanDerWaalsContact O-CB 3.29Å; S436-N440 WeakPolarHBondContact O-CB 3.39Å; S436-N440 VanDerWaalsContact O-CG 3.27Å; S436-N440 PolarHBondContact O-N 2.92Å; S436-N440 PolarHBondContact O-ND2 3Å; S436-N440 VanDerWaalsContact O-ND2 3.11Å; Y437-N440 PolarHBondContact O-N 3.17Å; K438-N440 PolarHBondContact O-N 3.46Å; N440-M442 VanDerWaalsContact C-N 3.32Å; N440-M442 PolarHBondContact O-N 2.86Å; N440-R443 WeakPolarHBondContact O-CB 3.45Å; N440-R443 PolarHBondContact O-N 3.45Å; N440-R443 VanDerWaalsContact O-N 3.14Å; N440-L444 WeakPolarHBondContact O-CG 3.49Å; N440-L444 PolarHBondContact O-N 3.48Å |
| 441 | A | 98.8 | Very high | 98.1 | Very high | 3 Ų | 3 | 67.5 Ų | 67.5 | 3% | 0.025 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -59.8 | -42.6 | 176.5 | 0 | 0 | 0 | 0 | 0 | 111.9 | P388 A410 Y437 K438 L444 S445 | P388-A441 HydrophobicContact CB-CB 4.07Å; A410-A441 HydrophobicContact CB-CB 4.44Å; Y437-A441 WeakPolarHBondContact O-CB 3.37Å; Y437-A441 PolarHBondContact O-N 3.26Å; K438-A441 PolarHBondContact O-N 3.41Å; A441-L444 PolarHBondContact O-N 3.16Å; A441-S445 WeakPolarHBondContact O-CB 3.27Å; A441-S445 PolarHBondContact O-N 3.38Å |
| 442 | M | 98.8 | Very high | 97.9 | Very high | 92 Ų | 92 | 73.9 Ų | 73.9 | 45% | 0.453 | 37% | 0.365 | S | S | . | . | H | α-helix | trans | -65.8 | -36.7 | 174.6 | -69.6 | -60.4 | -57.1 | 0 | 0 | 112.5 | K438 E439 N440 S445 K446 | K438-M442 HydrophobicContact CD-CG 4.16Å; K438-M442 HydrophobicContact CG-CG 4.42Å; K438-M442 WeakPolarHBondContact O-CB 3.34Å; K438-M442 VanDerWaalsContact O-CG 3.24Å; K438-M442 WeakPolarHBondContact O-CG 3.27Å; K438-M442 PolarHBondContact O-N 3.16Å; E439-M442 PolarHBondContact O-N 3.33Å; N440-M442 VanDerWaalsContact C-N 3.32Å; N440-M442 PolarHBondContact O-N 2.86Å; M442-S445 WeakPolarHBondContact O-CB 3.36Å; M442-S445 PolarHBondContact O-N 3.19Å; M442-K446 PolarHBondContact O-N 2.84Å |
| 443 | R | 98.8 | Very high | 97.8 | Very high | 121 Ų | 121 | 75.9 Ų | 75.9 | 46% | 0.457 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 173.6 | -178.1 | -178.6 | 69.3 | 95 | 0.2 | 111.2 | E439 N440 K446 I447 | E439-R443 WeakPolarHBondContact O-CB 3.35Å; E439-R443 PolarHBondContact O-N 3.09Å; N440-R443 WeakPolarHBondContact O-CB 3.45Å; N440-R443 PolarHBondContact O-N 3.45Å; N440-R443 VanDerWaalsContact O-N 3.14Å; R443-K446 PolarHBondContact O-N 2.89Å; R443-I447 HydrophobicContact CG-CD1 4.39Å; R443-I447 WeakPolarHBondContact O-CG1 3.34Å; R443-I447 PolarHBondContact O-N 2.87Å; R443-I447 VanDerWaalsContact O-N 3.11Å |
| 444 | L | 98.8 | Very high | 97.7 | Very high | 3 Ų | 3 | 72.9 Ų | 72.9 | 2% | 0.016 | 36% | 0.362 | C | S | . | . | H | α-helix | trans | -64.7 | -41.8 | 176.4 | -61.8 | -179.3 | 0 | 0 | 0 | 111.5 | D262 I383 M405 K408 A410 N440 A441 K446 I447 H448 | D262-L444 WeakPolarHBondContact O-CD2 3.33Å; I383-L444 HydrophobicContact CG2-CB 4.15Å; M405-L444 HydrophobicContact CE-CD1 3.62Å; K408-L444 HydrophobicContact CB-CD1 4Å; K408-L444 HydrophobicContact CB-CD2 4.44Å; K408-L444 HydrophobicContact CD-CD1 3.97Å; K408-L444 HydrophobicContact CD-CD2 3.87Å; A410-L444 HydrophobicContact CB-CD1 3.85Å; N440-L444 WeakPolarHBondContact O-CG 3.49Å; N440-L444 PolarHBondContact O-N 3.48Å; A441-L444 PolarHBondContact O-N 3.16Å; L444-K446 VanDerWaalsContact C-N 3.32Å; L444-K446 PolarHBondContact O-N 2.97Å; L444-I447 PolarHBondContact O-N 3.42Å; L444-I447 VanDerWaalsContact O-N 3.17Å; L444-H448 WeakPolarHBondContact O-CB 3.43Å; L444-H448 PolarHBondContact O-N 3.39Å |
| 445 | S | 98.7 | Very high | 97.6 | Very high | 11 Ų | 11 | 70 Ų | 70 | 8% | 0.077 | 35% | 0.347 | C | S | . | . | H | α-helix | trans | -55.4 | -47.1 | 172.5 | -177.7 | 0 | 0 | 0 | 0 | 111.7 | I383 Y384 A441 M442 I447 H448 H449 | I383-S445 WeakPolarHBondContact O-CA 3.47Å; I383-S445 WeakPolarHBondContact O-CB 3.49Å; I383-S445 PolarHBondContact O-OG 2.97Å; Y384-S445 PolarHBondContact O-OG 3.32Å; A441-S445 WeakPolarHBondContact O-CB 3.27Å; A441-S445 PolarHBondContact O-N 3.38Å; M442-S445 WeakPolarHBondContact O-CB 3.36Å; M442-S445 PolarHBondContact O-N 3.19Å; S445-I447 VanDerWaalsContact C-N 3.33Å; S445-I447 PolarHBondContact O-N 3.23Å; S445-H448 VanDerWaalsContact O-CB 3.29Å; S445-H448 WeakPolarHBondContact O-CB 3.37Å; S445-H448 PolarHBondContact O-N 3.07Å; S445-H448 VanDerWaalsContact O-N 3.09Å; S445-H449 PolarHBondContact O-CD2 3Å; S445-H449 PolarHBondContact O-N 3.3Å |
| 446 | K | 98.4 | Very high | 97.5 | Very high | 154 Ų | 154 | 65.3 Ų | 65.3 | 67% | 0.67 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.5 | -45 | 177 | -172.2 | -177.8 | 177.1 | -175.4 | 0 | 111.6 | M442 R443 L444 H448 H449 D450 | M442-K446 PolarHBondContact O-N 2.84Å; R443-K446 PolarHBondContact O-N 2.89Å; L444-K446 VanDerWaalsContact C-N 3.32Å; L444-K446 PolarHBondContact O-N 2.97Å; K446-H448 VanDerWaalsContact C-N 3.3Å; K446-H448 PolarHBondContact O-N 2.79Å; K446-H449 PolarHBondContact O-N 2.8Å; K446-D450 WeakPolarHBondContact O-CB 3.36Å; K446-D450 PolarHBondContact O-N 3.04Å |
| 447 | I | 97.9 | Very high | 97.3 | Very high | 66 Ų | 66 | 66.6 Ų | 66.6 | 34% | 0.338 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -63.3 | -38.7 | 176.3 | -64.9 | 165.3 | 0 | 0 | 0 | 111 | D262 R443 L444 S445 H449 D450 | D262-I447 HydrophobicContact CB-CB 4.4Å; D262-I447 HydrophobicContact CB-CG2 4.06Å; R443-I447 HydrophobicContact CG-CD1 4.39Å; R443-I447 WeakPolarHBondContact O-CG1 3.34Å; R443-I447 PolarHBondContact O-N 2.87Å; R443-I447 VanDerWaalsContact O-N 3.11Å; L444-I447 PolarHBondContact O-N 3.42Å; L444-I447 VanDerWaalsContact O-N 3.17Å; S445-I447 VanDerWaalsContact C-N 3.33Å; S445-I447 PolarHBondContact O-N 3.23Å; I447-H449 VanDerWaalsContact C-N 3.34Å; I447-H449 PolarHBondContact O-N 3.41Å; I447-D450 PolarHBondContact O-N 3.07Å |
| 448 | H | 97.8 | Very high | 97.3 | Very high | 5 Ų | 5 | 66.9 Ų | 66.9 | 2% | 0.023 | 33% | 0.331 | C | S | . | . | H | α-helix | trans | -60.5 | -43.3 | 178.2 | -171.3 | 80.4 | 0 | 0 | 0 | 112.4 | D262 G277 Y380 I383 Y384 L444 S445 K446 R451 | D262-H448 WeakPolarHBondContact OD2-CA 3.36Å; D262-H448 WeakPolarHBondContact OD2-CB 3.35Å; D262-H448 IonicContact OD2-CE1 3.3Å; D262-H448 IonicContact OD2-CG 3.56Å; D262-H448 VanDerWaalsContact OD2-CG 3.27Å; D262-H448 IonicContact OD2-ND1 2.84Å; D262-H448 PolarHBondContact OD2-ND1 3.28Å; G277-H448 PolarHBondContact O-CE1 2.8Å; Y380-H448 AromaticContact CD1-CE1 3.81Å; I383-H448 HydrophobicContact CG2-CB 3.81Å; Y384-H448 AromaticContact CD2-CD2 3.56Å; Y384-H448 AromaticContact CD2-NE2 3.57Å; L444-H448 WeakPolarHBondContact O-CB 3.43Å; L444-H448 PolarHBondContact O-N 3.39Å; S445-H448 VanDerWaalsContact O-CB 3.29Å; S445-H448 WeakPolarHBondContact O-CB 3.37Å; S445-H448 PolarHBondContact O-N 3.07Å; S445-H448 VanDerWaalsContact O-N 3.09Å; K446-H448 VanDerWaalsContact C-N 3.3Å; K446-H448 PolarHBondContact O-N 2.79Å; H448-R451 PolarHBondContact CE1-NH2 3.27Å; H448-R451 PolarHBondContact ND1-NH2 2.88Å; H448-R451 WeakPolarHBondContact O-CD 3.46Å; H448-R451 WeakPolarHBondContact O-CG 3.31Å; H448-R451 PolarHBondContact O-NE 3.45Å |
| 449 | H | 97 | Very high | 97.3 | Very high | 95 Ų | 95 | 63 Ų | 63 | 44% | 0.44 | 31% | 0.314 | S | S | . | . | H | α-helix | trans | -82.1 | -25.3 | -179.7 | -69.2 | -70 | 0 | 0 | 0 | 113.4 | Y384 S445 K446 I447 R451 | Y384-H449 AromaticContact CD2-CE1 3.56Å; Y384-H449 AromaticContact CE1-CE1 3.79Å; Y384-H449 AromaticContact CE2-CE1 3.31Å; Y384-H449 WeakPolarHBondContact CE2-CE1 3.45Å; Y384-H449 AromaticContact CG-CE1 3.9Å; Y384-H449 AromaticContact CZ-CE1 3.44Å; Y384-H449 VanDerWaalsContact CZ-CE1 3.44Å; Y384-H449 PolarHBondContact O-NE2 3.15Å; S445-H449 PolarHBondContact O-CD2 3Å; S445-H449 PolarHBondContact O-N 3.3Å; K446-H449 PolarHBondContact O-N 2.8Å; I447-H449 VanDerWaalsContact C-N 3.34Å; I447-H449 PolarHBondContact O-N 3.41Å; H449-R451 PolarHBondContact O-N 3.36Å |
| 450 | D | 96.7 | Very high | 97.2 | Very high | 131 Ų | 131 | 57.1 Ų | 57.1 | 70% | 0.701 | 29% | 0.287 | S | S | * | . | trans | -82 | 63.2 | 179.9 | -164.6 | 17.9 | 0 | 0 | 0 | 111.4 | K446 I447 | K446-D450 WeakPolarHBondContact O-CB 3.36Å; K446-D450 PolarHBondContact O-N 3.04Å; I447-D450 PolarHBondContact O-N 3.07Å | ||
| 451 | R | 94.3 | Very high | 97.2 | Very high | 26 Ų | 26 | 58.8 Ų | 58.8 | 10% | 0.098 | 29% | 0.293 | C | S | . | . | S | Bend | trans | -122.6 | 148.1 | 178.1 | -61.7 | -177.4 | -168.5 | -170.8 | 7.9 | 110.3 | Y260 D262 G277 H448 H449 M453 | Y260-R451 VanDerWaalsContact CB-NH2 3.27Å; Y260-R451 HydrophobicContact CE1-CG 4.15Å; Y260-R451 VanDerWaalsContact CE1-NE 3.27Å; Y260-R451 VanDerWaalsContact CG-NH1 3.32Å; D262-R451 IonicContact OD1-NH2 3.38Å; D262-R451 PolarHBondContact OD1-NH2 2.84Å; D262-R451 IonicContact OD2-CZ 3.04Å; D262-R451 IonicContact OD2-NH2 2.91Å; D262-R451 PolarHBondContact OD2-NH2 3.06Å; G277-R451 PolarHBondContact O-NH1 3.36Å; G277-R451 PolarHBondContact O-NH2 3.21Å; H448-R451 PolarHBondContact CE1-NH2 3.27Å; H448-R451 PolarHBondContact ND1-NH2 2.88Å; H448-R451 WeakPolarHBondContact O-CD 3.46Å; H448-R451 WeakPolarHBondContact O-CG 3.31Å; H448-R451 PolarHBondContact O-NE 3.45Å; H449-R451 PolarHBondContact O-N 3.36Å; R451-M453 WeakPolarHBondContact CB-O 3.46Å; R451-M453 PolarHBondContact O-N 2.93Å |
| 452 | P | 94.1 | Very high | 97.2 | Very high | 135 Ų | 135 | 60.4 Ų | 60.4 | 88% | 0.877 | 30% | 0.298 | S | S | * | . | S | Bend | trans | -60.6 | -30.5 | 177.7 | -23.2 | 33.4 | 0 | 0 | 0 | 113.7 | ||
| 453 | M | 95.3 | Very high | 97.1 | Very high | 79 Ų | 79 | 56 Ų | 56 | 39% | 0.389 | 28% | 0.276 | S | S | . | . | S | Bend | trans | -138 | 152 | 177.3 | -70.2 | -179.5 | 59.4 | 0 | 0 | 109.4 | R451 D457 E458 F461 | R451-M453 WeakPolarHBondContact CB-O 3.46Å; R451-M453 PolarHBondContact O-N 2.93Å; M453-D457 HydrophobicContact CE-CB 3.87Å; M453-D457 WeakPolarHBondContact CE-O 3.46Å; M453-E458 HydrophobicContact CB-CB 4.42Å; M453-F461 HydrophobicContact CE-CB 3.99Å |
| 454 | S | 95.4 | Very high | 97.1 | Very high | 50 Ų | 50 | 51.2 Ų | 51.2 | 35% | 0.35 | 26% | 0.259 | S | S | . | . | trans | -63.8 | 150.3 | 171.4 | 83.5 | 0 | 0 | 0 | 0 | 109.8 | R456 D457 E458 | S454-R456 PolarHBondContact O-N 3.27Å; S454-R456 VanDerWaalsContact O-N 3.16Å; S454-D457 WeakPolarHBondContact CB-OD2 3.43Å; S454-D457 PolarHBondContact O-N 2.92Å; S454-D457 VanDerWaalsContact O-N 3.16Å; S454-D457 WeakPolarHBondContact OG-CB 3.42Å; S454-D457 PolarHBondContact OG-N 3.11Å; S454-D457 VanDerWaalsContact OG-N 3.09Å; S454-D457 PolarHBondContact OG-OD2 2.96Å; S454-E458 PolarHBondContact O-N 3.24Å | ||
| 455 | P | 96.4 | Very high | 97.1 | Very high | 15 Ų | 15 | 52.7 Ų | 52.7 | 10% | 0.097 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -57.1 | -35 | -179.9 | -22.1 | 30.9 | 0 | 0 | 0 | 112.5 | G277 I279 A459 | G277-P455 WeakPolarHBondContact O-CB 3.42Å; G277-P455 WeakPolarHBondContact O-CG 3.45Å; I279-P455 HydrophobicContact CG2-CB 4.19Å; P455-A459 PolarHBondContact O-N 3.45Å; P455-A459 VanDerWaalsContact O-N 3.12Å |
| 456 | R | 95.9 | Very high | 97 | Very high | 58 Ų | 58 | 52.1 Ų | 52.1 | 22% | 0.219 | 26% | 0.262 | C | S | . | . | H | α-helix | trans | -71.2 | -44.8 | 178.6 | -163.8 | -178.8 | -53.4 | 161.8 | 3.6 | 112.1 | L40 T43 I279 C281 S454 E458 A459 V460 | L40-R456 HydrophobicContact CD1-CG 4.27Å; T43-R456 WeakPolarHBondContact OG1-CD 3.47Å; I279-R456 PolarHBondContact O-NE 3.27Å; I279-R456 PolarHBondContact O-NH2 3.01Å; C281-R456 PolarHBondContact O-NH2 3.13Å; S454-R456 PolarHBondContact O-N 3.27Å; S454-R456 VanDerWaalsContact O-N 3.16Å; R456-E458 VanDerWaalsContact C-N 3.3Å; R456-E458 PolarHBondContact O-N 2.85Å; R456-A459 PolarHBondContact O-N 3.33Å; R456-V460 WeakPolarHBondContact O-CG2 3.45Å; R456-V460 PolarHBondContact O-N 3.3Å |
| 457 | D | 96.3 | Very high | 96.9 | Very high | 71 Ų | 71 | 46 Ų | 46 | 38% | 0.38 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -66.3 | -35.1 | 177.9 | -64 | -42.2 | 0 | 0 | 0 | 111.6 | M453 S454 F461 | M453-D457 HydrophobicContact CE-CB 3.87Å; M453-D457 WeakPolarHBondContact CE-O 3.46Å; S454-D457 WeakPolarHBondContact CB-OD2 3.43Å; S454-D457 PolarHBondContact O-N 2.92Å; S454-D457 VanDerWaalsContact O-N 3.16Å; S454-D457 WeakPolarHBondContact OG-CB 3.42Å; S454-D457 PolarHBondContact OG-N 3.11Å; S454-D457 VanDerWaalsContact OG-N 3.09Å; S454-D457 PolarHBondContact OG-OD2 2.96Å; D457-F461 VanDerWaalsContact O-CB 3.25Å; D457-F461 WeakPolarHBondContact O-CB 3.4Å; D457-F461 PolarHBondContact O-N 3.29Å |
| 458 | E | 97.5 | Very high | 96.8 | Very high | 41 Ų | 41 | 49.5 Ų | 49.5 | 19% | 0.192 | 25% | 0.245 | C | C | . | . | H | α-helix | trans | -64.2 | -46.6 | 174.4 | -178.2 | 168.7 | -172.1 | 0 | 0 | 111.2 | V276 M453 S454 R456 V460 F461 W462 | V276-E458 HydrophobicContact CG1-CB 4.2Å; V276-E458 HydrophobicContact CG1-CG 4.02Å; M453-E458 HydrophobicContact CB-CB 4.42Å; S454-E458 PolarHBondContact O-N 3.24Å; R456-E458 VanDerWaalsContact C-N 3.3Å; R456-E458 PolarHBondContact O-N 2.85Å; E458-V460 PolarHBondContact O-N 3.28Å; E458-F461 PolarHBondContact O-N 3.31Å; E458-W462 PolarHBondContact O-N 3.4Å; E458-W462 VanDerWaalsContact O-N 3.07Å |
| 459 | A | 98.2 | Very high | 96.8 | Very high | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 27% | 0.265 | C | S | . | . | H | α-helix | trans | -57.2 | -49.6 | 175.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | L40 L256 V276 I279 P455 R456 F461 W462 I463 | L40-A459 HydrophobicContact CD1-CB 3.78Å; L40-A459 HydrophobicContact CD2-CB 4.02Å; L256-A459 HydrophobicContact CD1-CB 3.87Å; V276-A459 HydrophobicContact CB-CB 4.39Å; V276-A459 HydrophobicContact CG1-CB 4.11Å; V276-A459 HydrophobicContact CG2-CB 4.44Å; I279-A459 HydrophobicContact CG2-CB 4.35Å; P455-A459 PolarHBondContact O-N 3.45Å; P455-A459 VanDerWaalsContact O-N 3.12Å; R456-A459 PolarHBondContact O-N 3.33Å; A459-F461 PolarHBondContact O-N 2.88Å; A459-W462 PolarHBondContact O-N 3.13Å; A459-I463 WeakPolarHBondContact O-CG1 3.43Å; A459-I463 PolarHBondContact O-N 3.47Å |
| 460 | V | 97.8 | Very high | 96.7 | Very high | 1 Ų | 1 | 57.7 Ų | 57.7 | 1% | 0.006 | 28% | 0.283 | C | S | . | . | H | α-helix | trans | -57.9 | -47.3 | 175.8 | 167.4 | 0 | 0 | 0 | 0 | 111.1 | L40 T43 L44 R47 R456 E458 W462 I463 E464 | L40-V460 HydrophobicContact CD1-CG2 3.51Å; T43-V460 HydrophobicContact CG2-CG2 3.93Å; L44-V460 HydrophobicContact CD2-CG1 4.17Å; L44-V460 HydrophobicContact CD2-CG2 4.21Å; L44-V460 HydrophobicContact CG-CG2 4.39Å; R47-V460 VanDerWaalsContact NE-CG1 3.33Å; R456-V460 WeakPolarHBondContact O-CG2 3.45Å; R456-V460 PolarHBondContact O-N 3.3Å; E458-V460 PolarHBondContact O-N 3.28Å; V460-W462 VanDerWaalsContact C-N 3.3Å; V460-W462 PolarHBondContact O-N 3.23Å; V460-I463 PolarHBondContact O-N 2.84Å; V460-E464 HydrophobicContact CG1-CG 4.28Å; V460-E464 WeakPolarHBondContact O-CG 3.4Å; V460-E464 PolarHBondContact O-N 3.43Å |
| 461 | F | 97.9 | Very high | 96.7 | Very high | 78 Ų | 78 | 51.7 Ų | 51.7 | 34% | 0.342 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -56.5 | -44.5 | -179.3 | 170.3 | -91.9 | 0 | 0 | 0 | 111.8 | M453 D457 E458 A459 E464 F465 | M453-F461 HydrophobicContact CE-CB 3.99Å; D457-F461 VanDerWaalsContact O-CB 3.25Å; D457-F461 WeakPolarHBondContact O-CB 3.4Å; D457-F461 PolarHBondContact O-N 3.29Å; E458-F461 PolarHBondContact O-N 3.31Å; A459-F461 PolarHBondContact O-N 2.88Å; F461-E464 PolarHBondContact O-N 3.39Å; F461-F465 HydrophobicContact CE1-CB 4.48Å; F461-F465 HydrophobicContact CZ-CD2 4.42Å; F461-F465 WeakPolarHBondContact O-CB 3.41Å; F461-F465 PolarHBondContact O-N 2.9Å |
| 462 | W | 98.3 | Very high | 96.9 | Very high | 36 Ų | 36 | 50.5 Ų | 50.5 | 14% | 0.136 | 25% | 0.248 | C | C | . | . | H | α-helix | trans | -74.1 | -30.6 | -179.1 | -73.7 | 109.7 | 0 | 0 | 0 | 113.6 | I254 L256 K274 E458 A459 V460 F465 T466 L475 | I254-W462 HydrophobicContact CD1-CD2 4.33Å; I254-W462 HydrophobicContact CD1-CE3 3.62Å; I254-W462 HydrophobicContact CD1-CZ3 4.14Å; I254-W462 HydrophobicContact CG1-CB 4.48Å; I254-W462 HydrophobicContact CG1-CE3 4.3Å; I254-W462 HydrophobicContact CG2-CB 4.09Å; L256-W462 HydrophobicContact CD2-CB 4.17Å; K274-W462 HydrophobicContact CD-CD2 3.97Å; K274-W462 VanDerWaalsContact CD-CE2 3.4Å; K274-W462 HydrophobicContact CD-CG 4.28Å; K274-W462 HydrophobicContact CD-CZ2 3.74Å; K274-W462 VanDerWaalsContact CD-NE1 3.33Å; K274-W462 HydrophobicContact CG-CD2 3.86Å; K274-W462 HydrophobicContact CG-CG 3.74Å; E458-W462 PolarHBondContact O-N 3.4Å; E458-W462 VanDerWaalsContact O-N 3.07Å; A459-W462 PolarHBondContact O-N 3.13Å; V460-W462 VanDerWaalsContact C-N 3.3Å; V460-W462 PolarHBondContact O-N 3.23Å; W462-F465 HydrophobicContact CE3-CB 4.18Å; W462-F465 AromaticContact CE3-CD1 3.89Å; W462-F465 HydrophobicContact CE3-CD1 3.89Å; W462-F465 HydrophobicContact CE3-CE1 4.47Å; W462-F465 AromaticContact CE3-CG 3.98Å; W462-F465 HydrophobicContact CE3-CG 3.98Å; W462-F465 AromaticContact CZ3-CD1 3.89Å; W462-F465 HydrophobicContact CZ3-CD1 3.89Å; W462-F465 HydrophobicContact CZ3-CD2 4.3Å; W462-F465 HydrophobicContact CZ3-CE1 4.05Å; W462-F465 HydrophobicContact CZ3-CE2 4.44Å; W462-F465 HydrophobicContact CZ3-CG 4.04Å; W462-F465 HydrophobicContact CZ3-CZ 4.32Å; W462-T466 WeakPolarHBondContact O-CB 3.28Å; W462-T466 PolarHBondContact O-N 3.32Å; W462-T466 PolarHBondContact O-OG1 2.84Å; W462-L475 HydrophobicContact CH2-CD1 4.31Å; W462-L475 HydrophobicContact CZ3-CD1 3.72Å |
| 463 | I | 98.5 | Very high | 96.9 | Very high | 0 Ų | 0 | 52.3 Ų | 52.3 | 0% | 0 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -63.4 | -50.9 | 169.6 | -70.4 | 170.3 | 0 | 0 | 0 | 109.5 | I24 L40 L44 L146 F148 V168 L256 A459 V460 F465 T466 M467 | I24-I463 HydrophobicContact CD1-CG2 3.99Å; L40-I463 HydrophobicContact CD1-CD1 4.49Å; L40-I463 HydrophobicContact CD2-CD1 3.99Å; L40-I463 HydrophobicContact CG-CD1 4.41Å; L44-I463 HydrophobicContact CD1-CD1 4.05Å; L44-I463 HydrophobicContact CD1-CG2 4.38Å; L44-I463 HydrophobicContact CD2-CB 4.5Å; L44-I463 HydrophobicContact CD2-CG2 3.99Å; L146-I463 HydrophobicContact CD1-CG2 4.42Å; L146-I463 HydrophobicContact CD2-CG2 3.73Å; L146-I463 WeakPolarHBondContact CD2-O 3.33Å; F148-I463 HydrophobicContact CD2-CD1 4.28Å; F148-I463 HydrophobicContact CE2-CD1 4.2Å; F148-I463 HydrophobicContact CZ-CD1 4.45Å; V168-I463 HydrophobicContact CG1-CG1 4.06Å; L256-I463 HydrophobicContact CD1-CD1 4.08Å; L256-I463 HydrophobicContact CD1-CG1 4.16Å; A459-I463 WeakPolarHBondContact O-CG1 3.43Å; A459-I463 PolarHBondContact O-N 3.47Å; V460-I463 PolarHBondContact O-N 2.84Å; I463-F465 VanDerWaalsContact C-N 3.34Å; I463-F465 PolarHBondContact O-N 3.24Å; I463-T466 WeakPolarHBondContact O-CB 3.22Å; I463-T466 PolarHBondContact O-N 3.18Å; I463-M467 HydrophobicContact CG2-CE 4.18Å; I463-M467 PolarHBondContact O-N 3.45Å; I463-M467 VanDerWaalsContact O-N 3.14Å |
| 464 | E | 97.9 | Very high | 96.9 | Very high | 20 Ų | 20 | 54.8 Ų | 54.8 | 9% | 0.093 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -64.6 | -37.1 | 177 | -64.5 | 177.7 | 171.2 | 0 | 0 | 113 | R47 H49 V460 F461 T466 M467 R468 | R47-E464 IonicContact CZ-OE1 3.68Å; R47-E464 IonicContact NE-OE1 3.82Å; R47-E464 PolarHBondContact NE-OE1 2.88Å; R47-E464 IonicContact NH2-OE1 3.66Å; R47-E464 PolarHBondContact NH2-OE1 2.95Å; R47-E464 IonicContact NH2-OE2 3.97Å; R47-E464 PolarHBondContact NH2-OE2 3.31Å; H49-E464 IonicContact NE2-OE1 2.74Å; H49-E464 PolarHBondContact NE2-OE1 3.39Å; V460-E464 HydrophobicContact CG1-CG 4.28Å; V460-E464 WeakPolarHBondContact O-CG 3.4Å; V460-E464 PolarHBondContact O-N 3.43Å; F461-E464 PolarHBondContact O-N 3.39Å; E464-T466 VanDerWaalsContact C-N 3.26Å; E464-T466 PolarHBondContact O-N 3.11Å; E464-M467 HydrophobicContact CB-CE 4.27Å; E464-M467 HydrophobicContact CG-CE 4.1Å; E464-M467 PolarHBondContact O-N 3.46Å; E464-R468 WeakPolarHBondContact O-CB 3.17Å; E464-R468 WeakPolarHBondContact O-CG 3.47Å; E464-R468 PolarHBondContact O-N 3.26Å; E464-R468 IonicContact OE2-CZ 2.69Å; E464-R468 IonicContact OE2-NH1 3.18Å; E464-R468 PolarHBondContact OE2-NH1 3.06Å |
| 465 | F | 98 | Very high | 97 | Very high | 34 Ų | 34 | 53.8 Ų | 53.8 | 15% | 0.149 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -57.2 | -44.9 | 174.7 | 176 | -85.5 | 0 | 0 | 0 | 110.5 | F461 W462 I463 R468 N469 A472 H474 L475 | F461-F465 HydrophobicContact CE1-CB 4.48Å; F461-F465 HydrophobicContact CZ-CD2 4.42Å; F461-F465 WeakPolarHBondContact O-CB 3.41Å; F461-F465 PolarHBondContact O-N 2.9Å; W462-F465 HydrophobicContact CE3-CB 4.18Å; W462-F465 AromaticContact CE3-CD1 3.89Å; W462-F465 HydrophobicContact CE3-CD1 3.89Å; W462-F465 HydrophobicContact CE3-CE1 4.47Å; W462-F465 AromaticContact CE3-CG 3.98Å; W462-F465 HydrophobicContact CE3-CG 3.98Å; W462-F465 AromaticContact CZ3-CD1 3.89Å; W462-F465 HydrophobicContact CZ3-CD1 3.89Å; W462-F465 HydrophobicContact CZ3-CD2 4.3Å; W462-F465 HydrophobicContact CZ3-CE1 4.05Å; W462-F465 HydrophobicContact CZ3-CE2 4.44Å; W462-F465 HydrophobicContact CZ3-CG 4.04Å; W462-F465 HydrophobicContact CZ3-CZ 4.32Å; I463-F465 VanDerWaalsContact C-N 3.34Å; I463-F465 PolarHBondContact O-N 3.24Å; F465-R468 PolarHBondContact O-N 3.46Å; F465-N469 WeakPolarHBondContact CE2-ND2 3.23Å; F465-N469 WeakPolarHBondContact O-CB 3.32Å; F465-N469 PolarHBondContact O-N 2.96Å; F465-N469 PolarHBondContact O-ND2 3.45Å; F465-A472 HydrophobicContact CE1-CB 4.04Å; F465-H474 AromaticContact CE1-CE1 3.99Å; F465-H474 AromaticContact CZ-CE1 3.72Å; F465-H474 AromaticContact CZ-NE2 3.66Å; F465-L475 HydrophobicContact CE1-CD1 4.13Å |
| 466 | T | 98.2 | Very high | 96.9 | Very high | 0 Ų | 0 | 55.6 Ų | 55.6 | 0% | 0 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -63 | -43.5 | 178.7 | -56.8 | 0 | 0 | 0 | 0 | 111.1 | P166 V168 D253 I254 W462 I463 E464 K470 G471 | P166-T466 HydrophobicContact CB-CG2 3.55Å; P166-T466 HydrophobicContact CG-CG2 4.48Å; V168-T466 HydrophobicContact CG2-CG2 3.93Å; D253-T466 HydrophobicContact CB-CG2 3.79Å; I254-T466 WeakPolarHBondContact CG1-OG1 3.45Å; W462-T466 WeakPolarHBondContact O-CB 3.28Å; W462-T466 PolarHBondContact O-N 3.32Å; W462-T466 PolarHBondContact O-OG1 2.84Å; I463-T466 WeakPolarHBondContact O-CB 3.22Å; I463-T466 PolarHBondContact O-N 3.18Å; E464-T466 VanDerWaalsContact C-N 3.26Å; E464-T466 PolarHBondContact O-N 3.11Å; T466-K470 PolarHBondContact O-N 3.03Å; T466-G471 PolarHBondContact O-N 3.24Å |
| 467 | M | 96.4 | Very high | 96.8 | Very high | 25 Ų | 25 | 54.9 Ų | 54.9 | 12% | 0.123 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -62 | -51.7 | 174.8 | -63.8 | -173.3 | -77 | 0 | 0 | 111.8 | I24 H49 D145 L146 I463 E464 N469 K470 | I24-M467 HydrophobicContact CD1-CE 4.03Å; I24-M467 HydrophobicContact CD1-SD 4.18Å; I24-M467 HydrophobicContact CG1-CE 4.38Å; I24-M467 HydrophobicContact CG1-SD 3.87Å; H49-M467 WeakPolarHBondContact CE1-CE 3.31Å; D145-M467 HydrophobicContact CB-CB 4.45Å; D145-M467 HydrophobicContact CB-CG 4.04Å; D145-M467 HydrophobicContact CB-SD 4.08Å; L146-M467 HydrophobicContact CB-CG 4.42Å; L146-M467 HydrophobicContact CD2-CB 4.48Å; L146-M467 HydrophobicContact CD2-CG 3.2Å; L146-M467 HydrophobicContact CD2-SD 3.96Å; L146-M467 HydrophobicContact CG-CG 3.86Å; L146-M467 HydrophobicContact CG-SD 4.3Å; I463-M467 HydrophobicContact CG2-CE 4.18Å; I463-M467 PolarHBondContact O-N 3.45Å; I463-M467 VanDerWaalsContact O-N 3.14Å; E464-M467 HydrophobicContact CB-CE 4.27Å; E464-M467 HydrophobicContact CG-CE 4.1Å; E464-M467 PolarHBondContact O-N 3.46Å; M467-N469 PolarHBondContact O-N 3.49Å; M467-K470 PolarHBondContact O-N 3.22Å; M467-K470 VanDerWaalsContact O-N 3.16Å |
| 468 | R | 95.8 | Very high | 96.8 | Very high | 139 Ų | 139 | 57.7 Ų | 57.7 | 53% | 0.525 | 26% | 0.262 | S | S | . | . | H | α-helix | trans | -58.6 | -35.1 | -177 | -73.9 | -173.5 | -62.1 | -100.8 | -3.5 | 112.6 | E464 F465 | E464-R468 WeakPolarHBondContact O-CB 3.17Å; E464-R468 WeakPolarHBondContact O-CG 3.47Å; E464-R468 PolarHBondContact O-N 3.26Å; E464-R468 IonicContact OE2-CZ 2.69Å; E464-R468 IonicContact OE2-NH1 3.18Å; E464-R468 PolarHBondContact OE2-NH1 3.06Å; F465-R468 PolarHBondContact O-N 3.46Å |
| 469 | N | 96.8 | Very high | 96.6 | Very high | 85 Ų | 85 | 56.4 Ų | 56.4 | 46% | 0.455 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -99.3 | 1.4 | -176.5 | -66.2 | -79.9 | 0 | 0 | 0 | 113.8 | F465 M467 G471 | F465-N469 WeakPolarHBondContact CE2-ND2 3.23Å; F465-N469 WeakPolarHBondContact O-CB 3.32Å; F465-N469 PolarHBondContact O-N 2.96Å; F465-N469 PolarHBondContact O-ND2 3.45Å; M467-N469 PolarHBondContact O-N 3.49Å; N469-G471 VanDerWaalsContact C-N 3.29Å; N469-G471 VanDerWaalsContact CB-O 3.29Å; N469-G471 WeakPolarHBondContact CB-O 3.36Å; N469-G471 PolarHBondContact O-N 2.94Å |
| 470 | K | 95.5 | Very high | 96.4 | Very high | 187 Ų | 187 | 58.5 Ų | 58.5 | 81% | 0.813 | 27% | 0.268 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 53.5 | 47.3 | -175.8 | -56.3 | -178.3 | 177.5 | -175.8 | 0 | 111.8 | T466 M467 | T466-K470 PolarHBondContact O-N 3.03Å; M467-K470 PolarHBondContact O-N 3.22Å; M467-K470 VanDerWaalsContact O-N 3.16Å |
| 471 | G | 96.4 | Very high | 96.3 | Very high | 6 Ų | 6 | 65.3 Ų | 65.3 | 6% | 0.062 | 30% | 0.3 | C | S | . | . | S | Bend | trans | 110.2 | -176.4 | -174.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | D253 T466 N469 | D253-G471 WeakPolarHBondContact OD1-CA 3.28Å; T466-G471 PolarHBondContact O-N 3.24Å; N469-G471 VanDerWaalsContact C-N 3.29Å; N469-G471 VanDerWaalsContact CB-O 3.29Å; N469-G471 WeakPolarHBondContact CB-O 3.36Å; N469-G471 PolarHBondContact O-N 2.94Å |
| 472 | A | 97.3 | Very high | 96.1 | Very high | 0 Ų | 0 | 64.8 Ų | 64.8 | 0% | 0 | 30% | 0.301 | C | S | . | . | trans | -141.7 | 34.2 | -174.6 | 0 | 0 | 0 | 0 | 0 | 112.9 | D253 I254 F465 H474 L475 | D253-A472 HydrophobicContact CB-CB 3.91Å; D253-A472 PolarHBondContact OD1-N 3.06Å; I254-A472 HydrophobicContact CD1-CB 4.29Å; I254-A472 HydrophobicContact CG1-CB 4.46Å; F465-A472 HydrophobicContact CE1-CB 4.04Å; A472-H474 PolarHBondContact O-N 3.32Å; A472-L475 HydrophobicContact CB-CD1 4.13Å; A472-L475 HydrophobicContact CB-CG 4.44Å; A472-L475 WeakPolarHBondContact O-CB 3.46Å; A472-L475 PolarHBondContact O-N 3.04Å | ||
| 473 | K | 94.8 | Very high | 95.9 | Very high | 174 Ų | 174 | 65.5 Ų | 65.5 | 76% | 0.757 | 31% | 0.309 | S | S | * | . | G | 310 helix | trans | -50.2 | -33.5 | -177.1 | -65.8 | -175.7 | -179.8 | -179.5 | 0 | 114.6 | L475 K476 | K473-L475 PolarHBondContact O-N 3.43Å; K473-K476 WeakPolarHBondContact O-CB 3.34Å; K473-K476 PolarHBondContact O-N 2.81Å; K473-K476 VanDerWaalsContact O-N 3.15Å |
| 474 | H | 95.9 | Very high | 95.6 | Very high | 130 Ų | 130 | 74.2 Ų | 74.2 | 60% | 0.602 | 34% | 0.342 | S | S | * | . | G | 310 helix | trans | -69 | -12.7 | 179 | 63.8 | -85.8 | 0 | 0 | 0 | 114.2 | F465 A472 | F465-H474 AromaticContact CE1-CE1 3.99Å; F465-H474 AromaticContact CZ-CE1 3.72Å; F465-H474 AromaticContact CZ-NE2 3.66Å; A472-H474 PolarHBondContact O-N 3.32Å |
| 475 | L | 97.2 | Very high | 95.5 | Very high | 29 Ų | 29 | 77.9 Ų | 77.9 | 15% | 0.152 | 36% | 0.356 | C | S | . | . | G | 310 helix | trans | -93.7 | -8.5 | 174.5 | -59.6 | -177.4 | 0 | 0 | 0 | 112.8 | I254 P271 N272 W462 F465 A472 K473 | I254-L475 HydrophobicContact CD1-CD1 4.01Å; P271-L475 HydrophobicContact CB-CB 4.17Å; P271-L475 HydrophobicContact CB-CD2 4.06Å; N272-L475 HydrophobicContact CB-CB 3.86Å; W462-L475 HydrophobicContact CH2-CD1 4.31Å; W462-L475 HydrophobicContact CZ3-CD1 3.72Å; F465-L475 HydrophobicContact CE1-CD1 4.13Å; A472-L475 HydrophobicContact CB-CD1 4.13Å; A472-L475 HydrophobicContact CB-CG 4.44Å; A472-L475 WeakPolarHBondContact O-CB 3.46Å; A472-L475 PolarHBondContact O-N 3.04Å; K473-L475 PolarHBondContact O-N 3.43Å |
| 476 | K | 94.4 | Very high | 95.4 | Very high | 53 Ų | 53 | 79.8 Ų | 79.8 | 23% | 0.23 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -78.4 | 138.6 | 177.5 | -61.9 | -170.1 | 73.1 | -169.8 | 0 | 110.3 | G250 K473 | G250-K476 WeakPolarHBondContact O-CE 3.07Å; G250-K476 PolarHBondContact O-NZ 2.94Å; K473-K476 WeakPolarHBondContact O-CB 3.34Å; K473-K476 PolarHBondContact O-N 2.81Å; K473-K476 VanDerWaalsContact O-N 3.15Å |
| 477 | V | 94.5 | Very high | 95.2 | Very high | 44 Ų | 44 | 84.1 Ų | 84.1 | 27% | 0.267 | 38% | 0.382 | S | S | . | . | trans | -82.5 | 155.8 | 177.1 | -70.4 | 0 | 0 | 0 | 0 | 112 | Q185 L270 A479 H480 | Q185-V477 HydrophobicContact CB-CG2 4.46Å; L270-V477 HydrophobicContact CD1-CG2 3.9Å; L270-V477 HydrophobicContact CD2-CB 4.49Å; L270-V477 HydrophobicContact CD2-CG1 3.69Å; L270-V477 HydrophobicContact CD2-CG2 4.06Å; V477-A479 HydrophobicContact CG2-CB 3.88Å; V477-A479 PolarHBondContact O-N 3.38Å; V477-A479 VanDerWaalsContact O-N 3.09Å; V477-H480 PolarHBondContact O-CD2 3.32Å | ||
| 478 | Q | 95 | Very high | 95.1 | Very high | 129 Ų | 129 | 88.2 Ų | 88.2 | 60% | 0.603 | 40% | 0.401 | S | S | * | . | G | 310 helix | trans | -61.7 | -17.5 | 177.6 | -170.2 | 61.5 | 30 | 0 | 0 | 113.3 | H480 E481 L482 | Q478-H480 PolarHBondContact O-N 2.8Å; Q478-H480 VanDerWaalsContact O-N 3.09Å; Q478-E481 PolarHBondContact O-N 2.69Å; Q478-L482 HydrophobicContact CG-CD2 4.33Å; Q478-L482 HydrophobicContact CG-CG 4.32Å |
| 479 | A | 94.4 | Very high | 95.2 | Very high | 15 Ų | 15 | 84.4 Ų | 84.4 | 12% | 0.124 | 40% | 0.396 | C | S | . | . | G | 310 helix | trans | -53.9 | -30.8 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | Q185 V477 E481 L482 Y487 | Q185-A479 HydrophobicContact CB-CB 4.09Å; Q185-A479 HydrophobicContact CG-CB 4.2Å; V477-A479 HydrophobicContact CG2-CB 3.88Å; V477-A479 PolarHBondContact O-N 3.38Å; V477-A479 VanDerWaalsContact O-N 3.09Å; A479-E481 PolarHBondContact O-N 2.82Å; A479-L482 PolarHBondContact O-N 3.47Å; A479-Y487 HydrophobicContact CB-CD2 3.84Å; A479-Y487 HydrophobicContact CB-CE2 3.69Å |
| 480 | H | 94 | Very high | 95.2 | Very high | 43 Ų | 43 | 83.7 Ų | 83.7 | 20% | 0.199 | 39% | 0.391 | C | S | . | . | G | 310 helix | trans | -63.6 | -21.4 | 176.2 | -67.9 | -82.1 | 0 | 0 | 0 | 114.1 | C183 Q185 G250 V477 Q478 | C183-H480 PolarHBondContact O-CE1 3.41Å; Q185-H480 VanDerWaalsContact CG-CE1 3.46Å; Q185-H480 WeakPolarHBondContact CG-CE1 3.48Å; Q185-H480 WeakPolarHBondContact CG-ND1 3.49Å; G250-H480 PolarHBondContact O-CE1 3.29Å; V477-H480 PolarHBondContact O-CD2 3.32Å; Q478-H480 PolarHBondContact O-N 2.8Å; Q478-H480 VanDerWaalsContact O-N 3.09Å |
| 481 | E | 94.1 | Very high | 95.3 | Very high | 144 Ų | 144 | 78.1 Ų | 78.1 | 67% | 0.673 | 37% | 0.371 | S | S | * | . | G | 310 helix | trans | -108.6 | 1 | -175.3 | -53.3 | -62.5 | 148.6 | 0 | 0 | 112.2 | Q478 A479 | Q478-E481 PolarHBondContact O-N 2.69Å; A479-E481 PolarHBondContact O-N 2.82Å |
| 482 | L | 94.4 | Very high | 95.4 | Very high | 68 Ų | 68 | 81.5 Ų | 81.5 | 36% | 0.356 | 39% | 0.39 | S | S | . | . | S | Bend | trans | -95.2 | 141.9 | -179.9 | -64.3 | 180 | 0 | 0 | 0 | 110.7 | Q478 A479 Q486 | Q478-L482 HydrophobicContact CG-CD2 4.33Å; Q478-L482 HydrophobicContact CG-CG 4.32Å; A479-L482 PolarHBondContact O-N 3.47Å; L482-Q486 HydrophobicContact CB-CB 4.27Å; L482-Q486 HydrophobicContact CD2-CB 4.27Å |
| 483 | T | 94.4 | Very high | 95.4 | Very high | 51 Ų | 51 | 86.4 Ų | 86.4 | 31% | 0.313 | 42% | 0.415 | S | S | . | . | trans | -67.4 | 156.1 | 164.2 | 61.5 | 0 | 0 | 0 | 0 | 110.7 | Y485 Q486 Y487 | T483-Y485 HydrophobicContact CG2-CE1 4.05Å; T483-Y485 PolarHBondContact O-N 2.82Å; T483-Y485 VanDerWaalsContact O-N 3.14Å; T483-Y485 VanDerWaalsContact OG1-CE1 3.27Å; T483-Y485 WeakPolarHBondContact OG1-CE1 3.43Å; T483-Y485 VanDerWaalsContact OG1-CE2 3.29Å; T483-Y485 WeakPolarHBondContact OG1-CE2 3.38Å; T483-Q486 VanDerWaalsContact N-OE1 3.09Å; T483-Q486 PolarHBondContact O-N 3.15Å; T483-Q486 VanDerWaalsContact OG1-CD 3.24Å; T483-Q486 VanDerWaalsContact OG1-CG 3.27Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.36Å; T483-Q486 PolarHBondContact OG1-OE1 2.9Å; T483-Y487 PolarHBondContact O-N 2.89Å | ||
| 484 | W | 92 | Very high | 95.6 | Very high | 182 Ų | 182 | 80.4 Ų | 80.4 | 69% | 0.689 | 40% | 0.398 | S | S | * | . | H | α-helix | trans | -55.5 | -35.6 | -177.5 | 70.2 | -92.4 | 0 | 0 | 0 | 113.3 | H488 L490 | W484-H488 PolarHBondContact O-CD2 3.32Å; W484-H488 PolarHBondContact O-N 3.39Å; W484-L490 HydrophobicContact CE3-CD1 4Å; W484-L490 HydrophobicContact CH2-CD1 4.02Å; W484-L490 HydrophobicContact CZ3-CD1 3.3Å |
| 485 | Y | 95 | Very high | 95.7 | Very high | 97 Ų | 97 | 80.4 Ų | 80.4 | 38% | 0.38 | 40% | 0.397 | S | S | . | . | H | α-helix | trans | -77.5 | -32.3 | 179.5 | 58.2 | -96.3 | 0 | 0 | 0 | 112.5 | T483 H488 S489 L490 D491 | T483-Y485 HydrophobicContact CG2-CE1 4.05Å; T483-Y485 PolarHBondContact O-N 2.82Å; T483-Y485 VanDerWaalsContact O-N 3.14Å; T483-Y485 VanDerWaalsContact OG1-CE1 3.27Å; T483-Y485 WeakPolarHBondContact OG1-CE1 3.43Å; T483-Y485 VanDerWaalsContact OG1-CE2 3.29Å; T483-Y485 WeakPolarHBondContact OG1-CE2 3.38Å; Y485-H488 CarbonylContact O-C 3.59Å; Y485-S489 PolarHBondContact O-N 3.08Å; Y485-L490 PolarHBondContact O-N 3.34Å; Y485-D491 HydrophobicContact CD2-CB 4.25Å |
| 486 | Q | 96.7 | Very high | 95.8 | Very high | 75 Ų | 75 | 83.2 Ų | 83.2 | 35% | 0.35 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -69.2 | -42.3 | 172 | -73.6 | 168.8 | -41.2 | 0 | 0 | 111.2 | L482 T483 H488 S489 | L482-Q486 HydrophobicContact CB-CB 4.27Å; L482-Q486 HydrophobicContact CD2-CB 4.27Å; T483-Q486 VanDerWaalsContact N-OE1 3.09Å; T483-Q486 PolarHBondContact O-N 3.15Å; T483-Q486 VanDerWaalsContact OG1-CD 3.24Å; T483-Q486 VanDerWaalsContact OG1-CG 3.27Å; T483-Q486 WeakPolarHBondContact OG1-CG 3.36Å; T483-Q486 PolarHBondContact OG1-OE1 2.9Å; Q486-H488 PolarHBondContact O-N 3.18Å; Q486-S489 PolarHBondContact O-N 3.08Å |
| 487 | Y | 94.1 | Very high | 95.9 | Very high | 91 Ų | 91 | 85.5 Ų | 85.5 | 36% | 0.357 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -55.3 | -40.9 | 176.4 | 178.4 | -94.8 | 0 | 0 | 0 | 111.7 | A479 T483 | A479-Y487 HydrophobicContact CB-CD2 3.84Å; A479-Y487 HydrophobicContact CB-CE2 3.69Å; T483-Y487 PolarHBondContact O-N 2.89Å |
| 488 | H | 94.2 | Very high | 96.1 | Very high | 111 Ų | 111 | 88.1 Ų | 88.1 | 51% | 0.514 | 44% | 0.437 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -90.9 | 6.4 | 176.1 | -67.5 | -59.8 | 0 | 0 | 0 | 114.5 | W484 Y485 Q486 L490 | W484-H488 PolarHBondContact O-CD2 3.32Å; W484-H488 PolarHBondContact O-N 3.39Å; Y485-H488 CarbonylContact O-C 3.59Å; Q486-H488 PolarHBondContact O-N 3.18Å; H488-L490 HydrophobicContact CB-CD1 4.31Å; H488-L490 HydrophobicContact CB-CD2 4.09Å; H488-L490 HydrophobicContact CB-CG 3.81Å; H488-L490 PolarHBondContact O-N 3.38Å; H488-L490 VanDerWaalsContact O-N 3.14Å |
| 489 | S | 97.4 | Very high | 96.3 | Very high | 59 Ų | 59 | 85 Ų | 85 | 41% | 0.413 | 42% | 0.424 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 52.7 | 30.4 | -178.2 | -57.1 | 0 | 0 | 0 | 0 | 114.3 | Y485 Q486 D491 V492 L493 | Y485-S489 PolarHBondContact O-N 3.08Å; Q486-S489 PolarHBondContact O-N 3.08Å; S489-D491 VanDerWaalsContact C-N 3.29Å; S489-D491 PolarHBondContact O-N 3.4Å; S489-V492 PolarHBondContact O-N 3.4Å; S489-L493 WeakPolarHBondContact O-CG 3.36Å; S489-L493 PolarHBondContact O-N 3.15Å |
| 490 | L | 97.6 | Very high | 96.4 | Very high | 70 Ų | 70 | 88.6 Ų | 88.6 | 37% | 0.366 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -69.1 | -30.3 | -177.6 | -58.5 | -179.1 | 0 | 0 | 0 | 112.1 | W484 Y485 H488 L493 A494 | W484-L490 HydrophobicContact CE3-CD1 4Å; W484-L490 HydrophobicContact CH2-CD1 4.02Å; W484-L490 HydrophobicContact CZ3-CD1 3.3Å; Y485-L490 PolarHBondContact O-N 3.34Å; H488-L490 HydrophobicContact CB-CD1 4.31Å; H488-L490 HydrophobicContact CB-CD2 4.09Å; H488-L490 HydrophobicContact CB-CG 3.81Å; H488-L490 PolarHBondContact O-N 3.38Å; H488-L490 VanDerWaalsContact O-N 3.14Å; L490-L493 HydrophobicContact CD2-CD1 4.3Å; L490-A494 WeakPolarHBondContact O-CB 3.32Å; L490-A494 PolarHBondContact O-N 3.39Å |
| 491 | D | 97.6 | Very high | 96.6 | Very high | 70 Ų | 70 | 91.3 Ų | 91.3 | 37% | 0.374 | 46% | 0.457 | S | S | . | . | H | α-helix | trans | -62.9 | -44.4 | 171.3 | 55.7 | -15.3 | 0 | 0 | 0 | 111.9 | Y485 S489 A494 F495 | Y485-D491 HydrophobicContact CD2-CB 4.25Å; S489-D491 VanDerWaalsContact C-N 3.29Å; S489-D491 PolarHBondContact O-N 3.4Å; D491-A494 PolarHBondContact O-N 2.83Å; D491-F495 WeakPolarHBondContact O-CB 3.22Å; D491-F495 PolarHBondContact O-N 2.91Å |
| 492 | V | 98.3 | Very high | 96.8 | Very high | 77 Ų | 77 | 89 Ų | 89 | 47% | 0.467 | 45% | 0.448 | S | S | . | . | H | α-helix | trans | -65.5 | -46.4 | 174.7 | -179.5 | 0 | 0 | 0 | 0 | 110.9 | S489 A494 F495 L496 | S489-V492 PolarHBondContact O-N 3.4Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 3.2Å; V492-F495 WeakPolarHBondContact O-CB 3.5Å; V492-F495 PolarHBondContact O-N 3.34Å; V492-L496 HydrophobicContact CG1-CD1 4.3Å; V492-L496 WeakPolarHBondContact O-CG 3.34Å; V492-L496 PolarHBondContact O-N 3.01Å |
| 493 | L | 98.2 | Very high | 97 | Very high | 102 Ų | 102 | 90.2 Ų | 90.2 | 53% | 0.534 | 45% | 0.454 | S | S | . | . | H | α-helix | trans | -62.1 | -41 | 177.8 | -70.2 | 174.6 | 0 | 0 | 0 | 111.9 | S489 L490 L496 L497 | S489-L493 WeakPolarHBondContact O-CG 3.36Å; S489-L493 PolarHBondContact O-N 3.15Å; L490-L493 HydrophobicContact CD2-CD1 4.3Å; L493-L496 PolarHBondContact O-N 3.23Å; L493-L497 WeakPolarHBondContact O-CB 3.5Å; L493-L497 PolarHBondContact O-N 3.48Å |
| 494 | A | 98 | Very high | 97.1 | Very high | 48 Ų | 48 | 92.9 Ų | 92.9 | 40% | 0.397 | 47% | 0.466 | S | S | . | . | H | α-helix | trans | -62.5 | -42.6 | 174.7 | 0 | 0 | 0 | 0 | 0 | 111.6 | L490 D491 V492 L497 I498 | L490-A494 WeakPolarHBondContact O-CB 3.32Å; L490-A494 PolarHBondContact O-N 3.39Å; D491-A494 PolarHBondContact O-N 2.83Å; V492-A494 VanDerWaalsContact C-N 3.33Å; V492-A494 PolarHBondContact O-N 3.2Å; A494-L497 PolarHBondContact O-N 3.37Å; A494-I498 WeakPolarHBondContact O-CD1 3.38Å; A494-I498 VanDerWaalsContact O-CG1 3.26Å; A494-I498 WeakPolarHBondContact O-CG1 3.19Å; A494-I498 PolarHBondContact O-N 3.02Å |
| 495 | F | 98.3 | Very high | 97.3 | Very high | 131 Ų | 131 | 89.7 Ų | 89.7 | 58% | 0.575 | 46% | 0.457 | S | S | * | . | H | α-helix | trans | -61.1 | -46 | 175.9 | 176.2 | -104.3 | 0 | 0 | 0 | 112.4 | D491 V492 I498 I499 | D491-F495 WeakPolarHBondContact O-CB 3.22Å; D491-F495 PolarHBondContact O-N 2.91Å; V492-F495 WeakPolarHBondContact O-CB 3.5Å; V492-F495 PolarHBondContact O-N 3.34Å; F495-I498 PolarHBondContact O-N 3.14Å; F495-I499 HydrophobicContact CD1-CD1 4.01Å; F495-I499 HydrophobicContact CE1-CD1 3.43Å; F495-I499 VanDerWaalsContact CE1-CD1 3.43Å; F495-I499 HydrophobicContact CE2-CD1 4.3Å; F495-I499 HydrophobicContact CZ-CD1 3.61Å; F495-I499 HydrophobicContact CZ-CG1 4.42Å; F495-I499 PolarHBondContact O-N 3.07Å; F495-I499 VanDerWaalsContact O-N 3.15Å |
| 496 | L | 98.3 | Very high | 97.4 | Very high | 88 Ų | 88 | 89.6 Ų | 89.6 | 46% | 0.461 | 46% | 0.462 | S | S | . | . | H | α-helix | trans | -62.5 | -43.3 | 176.7 | -68.1 | 175.5 | 0 | 0 | 0 | 111.9 | V492 L493 I498 I499 D500 | V492-L496 HydrophobicContact CG1-CD1 4.3Å; V492-L496 WeakPolarHBondContact O-CG 3.34Å; V492-L496 PolarHBondContact O-N 3.01Å; L493-L496 PolarHBondContact O-N 3.23Å; L496-I498 VanDerWaalsContact C-N 3.31Å; L496-I498 PolarHBondContact O-N 2.84Å; L496-I499 WeakPolarHBondContact O-CB 3.49Å; L496-I499 PolarHBondContact O-N 3.38Å; L496-I499 VanDerWaalsContact O-N 3.14Å; L496-D500 PolarHBondContact O-N 3.15Å |
| 497 | L | 98 | Very high | 97.4 | Very high | 101 Ų | 101 | 91.4 Ų | 91.4 | 53% | 0.529 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -60.9 | -39.6 | 176.8 | -178.7 | 63.9 | 0 | 0 | 0 | 112 | L493 A494 I499 D500 L501 | L493-L497 WeakPolarHBondContact O-CB 3.5Å; L493-L497 PolarHBondContact O-N 3.48Å; A494-L497 PolarHBondContact O-N 3.37Å; L497-I499 VanDerWaalsContact C-N 3.34Å; L497-D500 PolarHBondContact O-N 2.89Å; L497-L501 HydrophobicContact CD1-CD1 4.42Å; L497-L501 HydrophobicContact CD1-CG 4.35Å; L497-L501 HydrophobicContact CG-CD1 4.11Å; L497-L501 HydrophobicContact CG-CG 4.46Å; L497-L501 WeakPolarHBondContact O-CB 3.38Å; L497-L501 VanDerWaalsContact O-CG 3.24Å; L497-L501 WeakPolarHBondContact O-CG 3.17Å; L497-L501 PolarHBondContact O-N 2.93Å |
| 498 | I | 98.3 | Very high | 97.5 | Very high | 98 Ų | 98 | 93.5 Ų | 93.5 | 50% | 0.503 | 49% | 0.485 | S | S | . | . | H | α-helix | trans | -61.8 | -43.5 | 175.5 | -70.3 | 163.8 | 0 | 0 | 0 | 110.6 | A494 F495 L496 L501 L502 | A494-I498 WeakPolarHBondContact O-CD1 3.38Å; A494-I498 VanDerWaalsContact O-CG1 3.26Å; A494-I498 WeakPolarHBondContact O-CG1 3.19Å; A494-I498 PolarHBondContact O-N 3.02Å; F495-I498 PolarHBondContact O-N 3.14Å; L496-I498 VanDerWaalsContact C-N 3.31Å; L496-I498 PolarHBondContact O-N 2.84Å; I498-L501 PolarHBondContact O-N 3.34Å; I498-L502 HydrophobicContact CG2-CD1 3.95Å; I498-L502 HydrophobicContact CG2-CG 4.41Å; I498-L502 WeakPolarHBondContact O-CB 3.37Å; I498-L502 VanDerWaalsContact O-CG 3.23Å; I498-L502 WeakPolarHBondContact O-CG 3.48Å; I498-L502 PolarHBondContact O-N 3.34Å |
| 499 | I | 98.4 | Very high | 97.6 | Very high | 64 Ų | 64 | 93.4 Ų | 93.4 | 33% | 0.328 | 48% | 0.483 | S | S | . | . | H | α-helix | trans | -60.5 | -48.1 | 176.4 | -68.7 | 172.3 | 0 | 0 | 0 | 110.8 | F495 L496 L497 L501 L502 L503 | F495-I499 HydrophobicContact CD1-CD1 4.01Å; F495-I499 HydrophobicContact CE1-CD1 3.43Å; F495-I499 VanDerWaalsContact CE1-CD1 3.43Å; F495-I499 HydrophobicContact CE2-CD1 4.3Å; F495-I499 HydrophobicContact CZ-CD1 3.61Å; F495-I499 HydrophobicContact CZ-CG1 4.42Å; F495-I499 PolarHBondContact O-N 3.07Å; F495-I499 VanDerWaalsContact O-N 3.15Å; L496-I499 WeakPolarHBondContact O-CB 3.49Å; L496-I499 PolarHBondContact O-N 3.38Å; L496-I499 VanDerWaalsContact O-N 3.14Å; L497-I499 VanDerWaalsContact C-N 3.34Å; I499-L501 PolarHBondContact O-N 3.35Å; I499-L502 WeakPolarHBondContact O-CB 3.32Å; I499-L502 PolarHBondContact O-N 2.91Å; I499-L503 HydrophobicContact CG2-CD1 4.04Å; I499-L503 HydrophobicContact CG2-CG 4.38Å; I499-L503 WeakPolarHBondContact O-CG 3.41Å; I499-L503 PolarHBondContact O-N 3.43Å |
| 500 | D | 97.9 | Very high | 97.3 | Very high | 90 Ų | 90 | 93.5 Ų | 93.5 | 48% | 0.481 | 48% | 0.484 | S | S | . | . | H | α-helix | trans | -61.1 | -44.2 | -179.8 | -73.6 | -22.1 | 0 | 0 | 0 | 111.8 | L496 L497 L502 L503 I504 | L496-D500 PolarHBondContact O-N 3.15Å; L497-D500 PolarHBondContact O-N 2.89Å; D500-L502 VanDerWaalsContact C-N 3.34Å; D500-L502 PolarHBondContact O-N 2.9Å; D500-L503 PolarHBondContact O-N 2.73Å; D500-I504 VanDerWaalsContact O-CG1 3.28Å; D500-I504 WeakPolarHBondContact O-CG1 3.41Å; D500-I504 PolarHBondContact O-N 2.79Å |
| 501 | L | 98 | Very high | 97.1 | Very high | 101 Ų | 101 | 94.2 Ų | 94.2 | 53% | 0.529 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -62.9 | -39 | 176 | -70.3 | 174.3 | 0 | 0 | 0 | 112.2 | L497 I498 I499 F505 | L497-L501 HydrophobicContact CD1-CD1 4.42Å; L497-L501 HydrophobicContact CD1-CG 4.35Å; L497-L501 HydrophobicContact CG-CD1 4.11Å; L497-L501 HydrophobicContact CG-CG 4.46Å; L497-L501 WeakPolarHBondContact O-CB 3.38Å; L497-L501 VanDerWaalsContact O-CG 3.24Å; L497-L501 WeakPolarHBondContact O-CG 3.17Å; L497-L501 PolarHBondContact O-N 2.93Å; I498-L501 PolarHBondContact O-N 3.34Å; I499-L501 PolarHBondContact O-N 3.35Å; L501-F505 VanDerWaalsContact O-CB 3.28Å; L501-F505 WeakPolarHBondContact O-CB 3.22Å; L501-F505 PolarHBondContact O-N 2.85Å |
| 502 | L | 98 | Very high | 96.6 | Very high | 96 Ų | 96 | 92.8 Ų | 92.8 | 50% | 0.503 | 49% | 0.489 | S | S | . | . | H | α-helix | trans | -64.8 | -42.5 | 174.8 | -73.6 | 170.8 | 0 | 0 | 0 | 111.7 | I498 I499 D500 F505 I506 | I498-L502 HydrophobicContact CG2-CD1 3.95Å; I498-L502 HydrophobicContact CG2-CG 4.41Å; I498-L502 WeakPolarHBondContact O-CB 3.37Å; I498-L502 VanDerWaalsContact O-CG 3.23Å; I498-L502 WeakPolarHBondContact O-CG 3.48Å; I498-L502 PolarHBondContact O-N 3.34Å; I499-L502 WeakPolarHBondContact O-CB 3.32Å; I499-L502 PolarHBondContact O-N 2.91Å; D500-L502 VanDerWaalsContact C-N 3.34Å; D500-L502 PolarHBondContact O-N 2.9Å; L502-F505 PolarHBondContact O-N 3.45Å; L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.48Å; L502-I506 PolarHBondContact O-N 2.92Å |
| 503 | L | 97.5 | Very high | 96.1 | Very high | 92 Ų | 92 | 95.2 Ų | 95.2 | 48% | 0.482 | 49% | 0.493 | S | S | . | . | H | α-helix | trans | -64.2 | -45.5 | 176.5 | -70.2 | 175.1 | 0 | 0 | 0 | 111.6 | I499 D500 F505 I506 L507 | I499-L503 HydrophobicContact CG2-CD1 4.04Å; I499-L503 HydrophobicContact CG2-CG 4.38Å; I499-L503 WeakPolarHBondContact O-CG 3.41Å; I499-L503 PolarHBondContact O-N 3.43Å; D500-L503 PolarHBondContact O-N 2.73Å; L503-F505 VanDerWaalsContact C-N 3.3Å; L503-F505 PolarHBondContact O-N 2.94Å; L503-I506 PolarHBondContact O-N 2.8Å; L503-L507 WeakPolarHBondContact O-CB 3.39Å; L503-L507 VanDerWaalsContact O-CG 3.29Å; L503-L507 WeakPolarHBondContact O-CG 3.5Å; L503-L507 PolarHBondContact O-N 2.83Å |
| 504 | I | 97.4 | Very high | 95.6 | Very high | 107 Ų | 107 | 93.8 Ų | 93.8 | 55% | 0.549 | 49% | 0.491 | S | S | . | . | H | α-helix | trans | -59.6 | -43.1 | 174.7 | -68.7 | 166.7 | 0 | 0 | 0 | 110.4 | D500 L507 F508 | D500-I504 VanDerWaalsContact O-CG1 3.28Å; D500-I504 WeakPolarHBondContact O-CG1 3.41Å; D500-I504 PolarHBondContact O-N 2.79Å; I504-L507 PolarHBondContact O-N 2.92Å; I504-F508 VanDerWaalsContact O-CB 3.29Å; I504-F508 WeakPolarHBondContact O-CB 3.23Å; I504-F508 PolarHBondContact O-N 3.4Å |
| 505 | F | 97.1 | Very high | 94.8 | Very high | 116 Ų | 116 | 98.4 Ų | 98.4 | 51% | 0.509 | 50% | 0.503 | S | S | . | . | H | α-helix | trans | -62.8 | -45.5 | 177.1 | 177.7 | -97.2 | 0 | 0 | 0 | 112.2 | L501 L502 L503 F508 K509 | L501-F505 VanDerWaalsContact O-CB 3.28Å; L501-F505 WeakPolarHBondContact O-CB 3.22Å; L501-F505 PolarHBondContact O-N 2.85Å; L502-F505 PolarHBondContact O-N 3.45Å; L503-F505 VanDerWaalsContact C-N 3.3Å; L503-F505 PolarHBondContact O-N 2.94Å; F505-F508 PolarHBondContact O-N 3.35Å; F505-K509 HydrophobicContact CD1-CG 4.21Å; F505-K509 HydrophobicContact CD2-CG 4.49Å; F505-K509 HydrophobicContact CE1-CG 3.85Å; F505-K509 HydrophobicContact CE2-CD 4.45Å; F505-K509 VanDerWaalsContact CE2-CE 3.43Å; F505-K509 HydrophobicContact CE2-CG 4.16Å; F505-K509 HydrophobicContact CZ-CD 4.21Å; F505-K509 HydrophobicContact CZ-CG 3.84Å; F505-K509 WeakPolarHBondContact O-CB 3.32Å; F505-K509 WeakPolarHBondContact O-CG 3.21Å; F505-K509 PolarHBondContact O-N 3.17Å |
| 506 | I | 96.9 | Very high | 94 | Very high | 95 Ų | 95 | 99.1 Ų | 99.1 | 49% | 0.487 | 51% | 0.505 | S | S | . | . | H | α-helix | trans | -61.3 | -47 | 176.3 | -70.2 | 165.1 | 0 | 0 | 0 | 110.3 | L502 L503 F508 K509 S510 | L502-I506 VanDerWaalsContact O-CG1 3.25Å; L502-I506 WeakPolarHBondContact O-CG1 3.48Å; L502-I506 PolarHBondContact O-N 2.92Å; L503-I506 PolarHBondContact O-N 2.8Å; I506-F508 PolarHBondContact O-N 3.28Å; I506-K509 PolarHBondContact O-N 3.34Å; I506-S510 VanDerWaalsContact O-CB 3.29Å; I506-S510 WeakPolarHBondContact O-CB 3.46Å; I506-S510 PolarHBondContact O-N 2.84Å; I506-S510 PolarHBondContact O-OG 3.35Å |
| 507 | L | 96.3 | Very high | 92.9 | Very high | 112 Ų | 112 | 103.2 Ų | 103.2 | 59% | 0.586 | 52% | 0.515 | S | S | * | . | H | α-helix | trans | -59.2 | -46.5 | 176.3 | -73.4 | 170.5 | 0 | 0 | 0 | 111.3 | L503 I504 K509 S510 C511 | L503-L507 WeakPolarHBondContact O-CB 3.39Å; L503-L507 VanDerWaalsContact O-CG 3.29Å; L503-L507 WeakPolarHBondContact O-CG 3.5Å; L503-L507 PolarHBondContact O-N 2.83Å; I504-L507 PolarHBondContact O-N 2.92Å; L507-K509 PolarHBondContact O-N 3.46Å; L507-S510 PolarHBondContact O-N 2.89Å; L507-C511 VanDerWaalsContact O-CB 3.31Å; L507-C511 WeakPolarHBondContact O-CB 3.35Å; L507-C511 PolarHBondContact O-N 3.09Å; L507-C511 PolarHBondContact O-SG 2.9Å |
| 508 | F | 96 | Very high | 91.7 | Very high | 135 Ų | 135 | 102.6 Ų | 102.6 | 59% | 0.592 | 52% | 0.518 | S | S | * | . | H | α-helix | trans | -61.3 | -44.7 | 177.5 | 179.9 | -97.7 | 0 | 0 | 0 | 112.1 | I504 F505 I506 S512 | I504-F508 VanDerWaalsContact O-CB 3.29Å; I504-F508 WeakPolarHBondContact O-CB 3.23Å; I504-F508 PolarHBondContact O-N 3.4Å; F505-F508 PolarHBondContact O-N 3.35Å; I506-F508 PolarHBondContact O-N 3.28Å; F508-S512 VanDerWaalsContact O-CB 3.28Å; F508-S512 WeakPolarHBondContact O-CB 3.38Å; F508-S512 PolarHBondContact O-N 2.98Å |
| 509 | K | 95.1 | Very high | 90.1 | Very high | 110 Ų | 110 | 100.7 Ų | 100.7 | 48% | 0.478 | 51% | 0.512 | S | S | . | . | H | α-helix | trans | -65.5 | -42.7 | 176.8 | -73 | -64.9 | -173.9 | -177.9 | 0 | 112 | F505 I506 L507 S512 F513 | F505-K509 HydrophobicContact CD1-CG 4.21Å; F505-K509 HydrophobicContact CD2-CG 4.49Å; F505-K509 HydrophobicContact CE1-CG 3.85Å; F505-K509 HydrophobicContact CE2-CD 4.45Å; F505-K509 VanDerWaalsContact CE2-CE 3.43Å; F505-K509 HydrophobicContact CE2-CG 4.16Å; F505-K509 HydrophobicContact CZ-CD 4.21Å; F505-K509 HydrophobicContact CZ-CG 3.84Å; F505-K509 WeakPolarHBondContact O-CB 3.32Å; F505-K509 WeakPolarHBondContact O-CG 3.21Å; F505-K509 PolarHBondContact O-N 3.17Å; I506-K509 PolarHBondContact O-N 3.34Å; L507-K509 PolarHBondContact O-N 3.46Å; K509-S512 PolarHBondContact O-N 3.16Å; K509-F513 VanDerWaalsContact O-CB 3.23Å; K509-F513 WeakPolarHBondContact O-CB 3.41Å; K509-F513 PolarHBondContact O-N 3.22Å |
| 510 | S | 92.8 | Very high | 88.2 | Confident | 61 Ų | 61 | 100.6 Ų | 100.6 | 43% | 0.427 | 52% | 0.518 | S | S | . | . | H | α-helix | trans | -61.9 | -48.3 | 175.4 | -67.2 | 0 | 0 | 0 | 0 | 111.3 | I506 L507 S512 F513 C514 | I506-S510 VanDerWaalsContact O-CB 3.29Å; I506-S510 WeakPolarHBondContact O-CB 3.46Å; I506-S510 PolarHBondContact O-N 2.84Å; I506-S510 PolarHBondContact O-OG 3.35Å; L507-S510 PolarHBondContact O-N 2.89Å; S510-S512 PolarHBondContact O-N 3.32Å; S510-F513 PolarHBondContact O-N 3.06Å; S510-C514 WeakPolarHBondContact O-CB 3.25Å; S510-C514 PolarHBondContact O-N 2.99Å; S510-C514 PolarHBondContact O-SG 3.35Å |
| 511 | C | 91.9 | Very high | 86.1 | Confident | 84 Ų | 84 | 99.8 Ų | 99.8 | 57% | 0.568 | 52% | 0.519 | S | S | * | . | H | α-helix | trans | -61.5 | -44.8 | 175.6 | -73.3 | 0 | 0 | 0 | 0 | 111.9 | L507 F513 C514 F515 | L507-C511 VanDerWaalsContact O-CB 3.31Å; L507-C511 WeakPolarHBondContact O-CB 3.35Å; L507-C511 PolarHBondContact O-N 3.09Å; L507-C511 PolarHBondContact O-SG 2.9Å; C511-F513 VanDerWaalsContact C-N 3.34Å; C511-F513 PolarHBondContact O-N 3.48Å; C511-C514 PolarHBondContact O-N 3.22Å; C511-F515 VanDerWaalsContact O-CB 3.32Å; C511-F515 WeakPolarHBondContact O-CB 3.24Å; C511-F515 PolarHBondContact O-N 2.88Å |
| 512 | S | 88.8 | Confident | 83.8 | Confident | 40 Ų | 40 | 103.3 Ų | 103.3 | 28% | 0.28 | 53% | 0.526 | S | S | . | . | H | α-helix | trans | -63.6 | -38.9 | 176.2 | 177.3 | 0 | 0 | 0 | 0 | 112.2 | F508 K509 S510 F515 K516 | F508-S512 VanDerWaalsContact O-CB 3.28Å; F508-S512 WeakPolarHBondContact O-CB 3.38Å; F508-S512 PolarHBondContact O-N 2.98Å; K509-S512 PolarHBondContact O-N 3.16Å; S510-S512 PolarHBondContact O-N 3.32Å; S512-F515 PolarHBondContact O-N 2.82Å; S512-K516 WeakPolarHBondContact O-CB 3.43Å; S512-K516 WeakPolarHBondContact O-CG 3.42Å; S512-K516 PolarHBondContact O-N 3.2Å |
| 513 | F | 87.6 | Confident | 81.6 | Confident | 128 Ų | 128 | 108.5 Ų | 108.5 | 56% | 0.561 | 54% | 0.539 | S | S | * | . | H | α-helix | trans | -65 | -48.5 | 175.7 | 179.7 | -97.5 | 0 | 0 | 0 | 111.3 | K509 S510 C511 F515 K516 R517 | K509-F513 VanDerWaalsContact O-CB 3.23Å; K509-F513 WeakPolarHBondContact O-CB 3.41Å; K509-F513 PolarHBondContact O-N 3.22Å; S510-F513 PolarHBondContact O-N 3.06Å; C511-F513 VanDerWaalsContact C-N 3.34Å; C511-F513 PolarHBondContact O-N 3.48Å; F513-F515 VanDerWaalsContact C-N 3.33Å; F513-F515 PolarHBondContact O-N 2.81Å; F513-K516 PolarHBondContact O-N 3.39Å; F513-R517 WeakPolarHBondContact O-CB 3.23Å; F513-R517 PolarHBondContact O-N 3.28Å |
| 514 | C | 86 | Confident | 79.3 | Confident | 72 Ų | 72 | 110.9 Ų | 110.9 | 49% | 0.486 | 55% | 0.548 | S | S | . | . | H | α-helix | trans | -56.9 | -46 | 173.9 | -70.7 | 0 | 0 | 0 | 0 | 111.3 | S510 C511 R517 C518 | S510-C514 WeakPolarHBondContact O-CB 3.25Å; S510-C514 PolarHBondContact O-N 2.99Å; S510-C514 PolarHBondContact O-SG 3.35Å; C511-C514 PolarHBondContact O-N 3.22Å; C514-R517 PolarHBondContact O-N 3.27Å; C514-C518 WeakPolarHBondContact O-CB 3.45Å; C514-C518 PolarHBondContact O-N 3.38Å; C514-C518 PolarHBondContact O-SG 3.21Å |
| 515 | F | 82.3 | Confident | 77.1 | Confident | 146 Ų | 146 | 110.1 Ų | 110.1 | 64% | 0.64 | 55% | 0.548 | S | S | * | . | H | α-helix | trans | -63.7 | -45.3 | 178.6 | -161.5 | -95.1 | 0 | 0 | 0 | 112.1 | C511 S512 F513 R517 C518 C519 | C511-F515 VanDerWaalsContact O-CB 3.32Å; C511-F515 WeakPolarHBondContact O-CB 3.24Å; C511-F515 PolarHBondContact O-N 2.88Å; S512-F515 PolarHBondContact O-N 2.82Å; F513-F515 VanDerWaalsContact C-N 3.33Å; F513-F515 PolarHBondContact O-N 2.81Å; F515-R517 VanDerWaalsContact C-N 3.31Å; F515-R517 PolarHBondContact O-N 3.13Å; F515-C518 PolarHBondContact O-N 3.18Å; F515-C519 VanDerWaalsContact CE1-SG 3.53Å; F515-C519 VanDerWaalsContact O-CB 3.32Å; F515-C519 WeakPolarHBondContact O-CB 3.47Å; F515-C519 PolarHBondContact O-N 3.18Å; F515-C519 PolarHBondContact O-SG 3.37Å; F515-C519 VanDerWaalsContact O-SG 3.35Å |
| 516 | K | 80.4 | Confident | 74.9 | Confident | 146 Ų | 146 | 108 Ų | 108 | 64% | 0.635 | 55% | 0.545 | S | S | * | . | H | α-helix | trans | -59.3 | -41.4 | 174.9 | -78.2 | -180 | -178.2 | -177.3 | 0 | 111.9 | S512 F513 S520 | S512-K516 WeakPolarHBondContact O-CB 3.43Å; S512-K516 WeakPolarHBondContact O-CG 3.42Å; S512-K516 PolarHBondContact O-N 3.2Å; F513-K516 PolarHBondContact O-N 3.39Å; K516-S520 VanDerWaalsContact O-CB 3.23Å; K516-S520 WeakPolarHBondContact O-CB 3.48Å; K516-S520 PolarHBondContact O-N 3.02Å; K516-S520 PolarHBondContact O-OG 2.81Å |
| 517 | R | 76.4 | Confident | 72.5 | Confident | 173 Ų | 173 | 111.7 Ų | 111.7 | 65% | 0.653 | 56% | 0.557 | S | S | * | * | H | α-helix | trans | -71.1 | -40.7 | 179.9 | -167.8 | 172.7 | 175.2 | 118.1 | -2.9 | 112.5 | F513 C514 F515 S520 S521 | F513-R517 WeakPolarHBondContact O-CB 3.23Å; F513-R517 PolarHBondContact O-N 3.28Å; C514-R517 PolarHBondContact O-N 3.27Å; F515-R517 VanDerWaalsContact C-N 3.31Å; F515-R517 PolarHBondContact O-N 3.13Å; R517-S520 PolarHBondContact O-OG 3.38Å; R517-S521 WeakPolarHBondContact O-CB 3.43Å; R517-S521 PolarHBondContact O-N 3.07Å; R517-S521 VanDerWaalsContact O-N 3.13Å |
| 518 | C | 73.4 | Confident | 70.2 | Confident | 89 Ų | 89 | 117.2 Ų | 117.2 | 60% | 0.601 | 57% | 0.57 | S | S | * | * | H | α-helix | trans | -67.6 | -42.7 | 175.3 | -69.3 | 0 | 0 | 0 | 0 | 111.9 | C514 F515 Y522 | C514-C518 WeakPolarHBondContact O-CB 3.45Å; C514-C518 PolarHBondContact O-N 3.38Å; C514-C518 PolarHBondContact O-SG 3.21Å; F515-C518 PolarHBondContact O-N 3.18Å; C518-Y522 PolarHBondContact O-N 3.36Å |
| 519 | C | 64.4 | Low | 68 | Low | 57 Ų | 57 | 119.4 Ų | 119.4 | 39% | 0.385 | 58% | 0.579 | S | S | . | * | H | α-helix | trans | -74.9 | -30 | 178.5 | -66 | 0 | 0 | 0 | 0 | 113.6 | F515 R523 | F515-C519 VanDerWaalsContact CE1-SG 3.53Å; F515-C519 VanDerWaalsContact O-CB 3.32Å; F515-C519 WeakPolarHBondContact O-CB 3.47Å; F515-C519 PolarHBondContact O-N 3.18Å; F515-C519 PolarHBondContact O-SG 3.37Å; F515-C519 VanDerWaalsContact O-SG 3.35Å; C519-R523 PolarHBondContact O-N 3.38Å |
| 520 | S | 58.6 | Low | 65.9 | Low | 63 Ų | 63 | 120.9 Ų | 120.9 | 44% | 0.441 | 59% | 0.591 | S | S | . | * | H | α-helix | trans | -71.6 | -34.6 | 172.9 | 75.8 | 0 | 0 | 0 | 0 | 112 | K516 R517 R523 H524 | K516-S520 VanDerWaalsContact O-CB 3.23Å; K516-S520 WeakPolarHBondContact O-CB 3.48Å; K516-S520 PolarHBondContact O-N 3.02Å; K516-S520 PolarHBondContact O-OG 2.81Å; R517-S520 PolarHBondContact O-OG 3.38Å; S520-R523 PolarHBondContact O-N 3.37Å; S520-H524 PolarHBondContact O-N 3.21Å |
| 521 | S | 53 | Low | 63.2 | Low | 72 Ų | 72 | 129 Ų | 129 | 50% | 0.503 | 63% | 0.63 | S | S | . | * | H | α-helix | trans | -64.5 | -38.7 | 173.4 | -166.8 | 0 | 0 | 0 | 0 | 111.7 | R517 R523 H524 V525 | R517-S521 WeakPolarHBondContact O-CB 3.43Å; R517-S521 PolarHBondContact O-N 3.07Å; R517-S521 VanDerWaalsContact O-N 3.13Å; S521-R523 PolarHBondContact O-N 2.97Å; S521-H524 PolarHBondContact O-N 3.22Å; S521-V525 WeakPolarHBondContact O-CG2 3.45Å; S521-V525 PolarHBondContact O-N 3.49Å |
| 522 | Y | 50.6 | Low | 61.8 | Low | 176 Ų | 176 | 131.3 Ų | 131.3 | 69% | 0.69 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -64.7 | -37.2 | 175.8 | -162.5 | -98 | 0 | 0 | 0 | 113.1 | C518 T526 | C518-Y522 PolarHBondContact O-N 3.36Å; Y522-T526 PolarHBondContact O-N 3.3Å; Y522-T526 PolarHBondContact O-OG1 2.89Å |
| 523 | R | 50.7 | Low | 60.4 | Low | 204 Ų | 204 | 136.1 Ų | 136.1 | 77% | 0.77 | 65% | 0.651 | S | S | * | * | H | α-helix | trans | -69.3 | -28.5 | 174.4 | -85.2 | -176.5 | 173.8 | 177.4 | -1.1 | 113.8 | C519 S520 S521 T526 | C519-R523 PolarHBondContact O-N 3.38Å; S520-R523 PolarHBondContact O-N 3.37Å; S521-R523 PolarHBondContact O-N 2.97Å; R523-T526 PolarHBondContact O-OG1 3.41Å |
| 524 | H | 50.3 | Low | 58.9 | Low | 143 Ų | 143 | 136.5 Ų | 136.5 | 66% | 0.662 | 66% | 0.656 | S | S | * | * | H | α-helix | trans | -77 | -32 | 175.9 | -97.4 | -71.8 | 0 | 0 | 0 | 113.1 | S520 S521 R528 | S520-H524 PolarHBondContact O-N 3.21Å; S521-H524 PolarHBondContact O-N 3.22Å; H524-R528 PolarHBondContact O-N 3.31Å |
| 525 | V | 51.4 | Low | 57.3 | Low | 90 Ų | 90 | 140.3 Ų | 140.3 | 55% | 0.545 | 67% | 0.666 | S | S | . | * | H | α-helix | trans | -71.6 | -32.9 | 177 | 175.4 | 0 | 0 | 0 | 0 | 112 | S521 | S521-V525 WeakPolarHBondContact O-CG2 3.45Å; S521-V525 PolarHBondContact O-N 3.49Å |
| 526 | T | 49 | Very low | 55.7 | Low | 73 Ų | 73 | 139.9 Ų | 139.9 | 45% | 0.448 | 67% | 0.668 | S | S | . | * | H | α-helix | trans | -72.6 | -33.1 | 176.3 | 23.8 | 0 | 0 | 0 | 0 | 113.3 | Y522 R523 | Y522-T526 PolarHBondContact O-N 3.3Å; Y522-T526 PolarHBondContact O-OG1 2.89Å; R523-T526 PolarHBondContact O-OG1 3.41Å |
| 527 | K | 47.6 | Very low | 54.1 | Low | 171 Ų | 171 | 139.5 Ų | 139.5 | 74% | 0.743 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -71.7 | -25.5 | 173.8 | -87.3 | -173.6 | 173.6 | -175.3 | 0 | 114.2 | K529 | K527-K529 VanDerWaalsContact C-N 3.31Å; K527-K529 PolarHBondContact O-N 2.95Å |
| 528 | R | 48.9 | Very low | 52.5 | Low | 228 Ų | 228 | 137.1 Ų | 137.1 | 86% | 0.86 | 67% | 0.671 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -80.7 | -5.7 | 178.4 | -119.5 | -178.7 | -175.9 | 176.8 | 0.6 | 114.3 | H524 | H524-R528 PolarHBondContact O-N 3.31Š|
| 529 | K | 47.8 | Very low | 50.9 | Low | 181 Ų | 181 | 140.8 Ų | 140.8 | 79% | 0.787 | 68% | 0.677 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -100.2 | 5.3 | 176 | -82.7 | -170.7 | 174.4 | -175.4 | 0 | 114.2 | K527 | K527-K529 VanDerWaalsContact C-N 3.31Å; K527-K529 PolarHBondContact O-N 2.95Å |
| 530 | I | 51 | Low | 49.7 | Very low | 142 Ų | 142 | 147.8 Ų | 147.8 | 73% | 0.728 | 70% | 0.701 | S | S | * | * | trans | -122.5 | 35.8 | 179.7 | -52.7 | 166.3 | 0 | 0 | 0 | 111.1 | ||||
| 531 | N | 38.1 | Very low | 48.9 | Very low | 231 Ų | 231 | 155.5 Ų | 155.5 | 100% | 1.235 | 73% | 0.725 | S | S | * | * | trans | -133.1 | 0 | 164.9 | -95.4 | -2.4 | 0 | 0 | 0 | 109.6 |
Retrieved 531 of 531 residues in 1037.9 ms
(Link to these results)