| 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 | 45.4 | Very low | 39.7 | Very low | 210 Ų | 210 | 139.3 Ų | 139.3 | 100% | 1.034 | 68% | 0.676 | S | S | * | * | 0 | -39.8 | 0 | -76 | -169.5 | -166.6 | 0 | 0 | 113.4 | N3 R4 Q5 | M1-N3 PolarHBondContact O-N 2.86Å; M1-R4 WeakPolarHBondContact O-CA 3.34Å; M1-R4 VanDerWaalsContact O-CB 3.32Å; M1-R4 WeakPolarHBondContact O-CB 3.26Å; M1-R4 PolarHBondContact O-N 3.27Å; M1-Q5 PolarHBondContact O-N 3.18Å | |||
| 2 | Y | 44.1 | Very low | 39.7 | Very low | 180 Ų | 180 | 139.6 Ų | 139.6 | 71% | 0.706 | 68% | 0.682 | S | S | * | * | H | α-helix | trans | -56.9 | -41.9 | 179.4 | -156.4 | -105.7 | 0 | 0 | 0 | 114.8 | R4 Q5 I6 | Y2-R4 VanDerWaalsContact C-N 3.26Å; Y2-R4 PolarHBondContact O-N 3.27Å; Y2-Q5 PolarHBondContact O-N 3.04Å; Y2-I6 HydrophobicContact CD1-CD1 3.99Å; Y2-I6 HydrophobicContact CE1-CD1 3.94Å; Y2-I6 PolarHBondContact O-N 3.48Å |
| 3 | N | 44.3 | Very low | 39.4 | Very low | 121 Ų | 121 | 144 Ų | 144 | 65% | 0.647 | 70% | 0.7 | S | S | * | * | H | α-helix | trans | -66.5 | -24.9 | 173.6 | -78.5 | -10.7 | 0 | 0 | 0 | 113.7 | M1 L7 | M1-N3 PolarHBondContact O-N 2.86Å; N3-L7 WeakPolarHBondContact O-CB 3.1Å; N3-L7 WeakPolarHBondContact O-CD1 3.41Å; N3-L7 PolarHBondContact O-N 3.08Å; N3-L7 VanDerWaalsContact O-N 3.08Å |
| 4 | R | 40.2 | Very low | 39.9 | Very low | 203 Ų | 203 | 142.4 Ų | 142.4 | 77% | 0.766 | 69% | 0.688 | S | S | * | * | H | α-helix | trans | -73.6 | -31.7 | 177.3 | -136 | 179.9 | -168.2 | -174.7 | 3.5 | 111.1 | M1 Y2 T8 | M1-R4 WeakPolarHBondContact O-CA 3.34Å; M1-R4 VanDerWaalsContact O-CB 3.32Å; M1-R4 WeakPolarHBondContact O-CB 3.26Å; M1-R4 PolarHBondContact O-N 3.27Å; Y2-R4 VanDerWaalsContact C-N 3.26Å; Y2-R4 PolarHBondContact O-N 3.27Å; R4-T8 WeakPolarHBondContact O-CB 3.02Å; R4-T8 WeakPolarHBondContact O-CG2 3.46Å; R4-T8 PolarHBondContact O-N 3.37Å; R4-T8 PolarHBondContact O-OG1 3.08Å |
| 5 | Q | 40.7 | Very low | 40.9 | Very low | 138 Ų | 138 | 136.3 Ų | 136.3 | 65% | 0.645 | 67% | 0.67 | S | S | * | * | H | α-helix | trans | -74.3 | -33.9 | 173.2 | -86.9 | 177.2 | -32.8 | 0 | 0 | 113.2 | M1 Y2 T8 G9 | M1-Q5 PolarHBondContact O-N 3.18Å; Y2-Q5 PolarHBondContact O-N 3.04Å; Q5-T8 VanDerWaalsContact CA-OG1 3.27Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.21Å; Q5-T8 PolarHBondContact O-N 3.27Å; Q5-T8 PolarHBondContact O-OG1 3.27Å; Q5-G9 PolarHBondContact O-N 3.08Å |
| 6 | I | 43.6 | Very low | 42.7 | Very low | 81 Ų | 81 | 136.8 Ų | 136.8 | 42% | 0.415 | 67% | 0.667 | S | S | . | * | H | α-helix | trans | -72.1 | -34.5 | 174.6 | -63.5 | 172.5 | 0 | 0 | 0 | 111.4 | Y2 | Y2-I6 HydrophobicContact CD1-CD1 3.99Å; Y2-I6 HydrophobicContact CE1-CD1 3.94Å; Y2-I6 PolarHBondContact O-N 3.48Å |
| 7 | L | 37.1 | Very low | 44.7 | Very low | 128 Ų | 128 | 131.2 Ų | 131.2 | 67% | 0.67 | 64% | 0.641 | S | S | * | * | H | α-helix | trans | -72.4 | -30.9 | 173.2 | -88.3 | 154 | 0 | 0 | 0 | 113.1 | N3 I11 | N3-L7 WeakPolarHBondContact O-CB 3.1Å; N3-L7 WeakPolarHBondContact O-CD1 3.41Å; N3-L7 PolarHBondContact O-N 3.08Å; N3-L7 VanDerWaalsContact O-N 3.08Å; L7-I11 WeakPolarHBondContact O-CG1 3.32Å |
| 8 | T | 39.7 | Very low | 46.9 | Very low | 83 Ų | 83 | 126.1 Ų | 126.1 | 51% | 0.509 | 63% | 0.628 | S | S | . | * | H | α-helix | trans | -85.2 | -31.2 | 176.5 | 40.9 | 0 | 0 | 0 | 0 | 113 | R4 Q5 R10 I11 | R4-T8 WeakPolarHBondContact O-CB 3.02Å; R4-T8 WeakPolarHBondContact O-CG2 3.46Å; R4-T8 PolarHBondContact O-N 3.37Å; R4-T8 PolarHBondContact O-OG1 3.08Å; Q5-T8 VanDerWaalsContact CA-OG1 3.27Å; Q5-T8 WeakPolarHBondContact CA-OG1 3.21Å; Q5-T8 PolarHBondContact O-N 3.27Å; Q5-T8 PolarHBondContact O-OG1 3.27Å; T8-R10 VanDerWaalsContact C-N 3.33Å; T8-R10 PolarHBondContact O-N 2.82Å; T8-I11 PolarHBondContact O-N 2.99Å |
| 9 | G | 32.7 | Very low | 49.2 | Very low | 65 Ų | 65 | 121.3 Ų | 121.3 | 67% | 0.67 | 61% | 0.606 | S | S | * | * | H | α-helix | trans | -74.3 | -15.2 | 178.4 | 0 | 0 | 0 | 0 | 0 | 115.3 | Q5 | Q5-G9 PolarHBondContact O-N 3.08Å |
| 10 | R | 35.3 | Very low | 51.1 | Low | 213 Ų | 213 | 120.5 Ų | 120.5 | 80% | 0.804 | 60% | 0.603 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -91.9 | -2.8 | 171.3 | -77.6 | -171.8 | -175.7 | 174.2 | 3.1 | 114 | T8 L12 | T8-R10 VanDerWaalsContact C-N 3.33Å; T8-R10 PolarHBondContact O-N 2.82Å; R10-L12 PolarHBondContact O-N 3.14Å |
| 11 | I | 33.7 | Very low | 52.6 | Low | 110 Ų | 110 | 120 Ų | 120 | 56% | 0.564 | 60% | 0.602 | S | S | * | * | trans | -79.3 | 73.2 | 167.5 | -51.1 | 172.6 | 0 | 0 | 0 | 106.2 | L7 T8 Q13 | L7-I11 WeakPolarHBondContact O-CG1 3.32Å; T8-I11 PolarHBondContact O-N 2.99Å; I11-Q13 PolarHBondContact O-N 3.31Å; I11-Q13 VanDerWaalsContact O-N 3.15Å | ||
| 12 | L | 39.2 | Very low | 54.2 | Low | 143 Ų | 143 | 110 Ų | 110 | 75% | 0.749 | 55% | 0.553 | S | S | * | * | trans | -45.7 | 123.5 | 154.5 | -91.9 | 154.3 | 0 | 0 | 0 | 105.6 | R10 K14 | R10-L12 PolarHBondContact O-N 3.14Å; L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.11Å | ||
| 13 | Q | 36 | Very low | 56.3 | Low | 197 Ų | 197 | 101.5 Ų | 101.5 | 92% | 0.921 | 52% | 0.519 | S | S | * | . | trans | -41.2 | 101 | 178.3 | -83.7 | 174.8 | -40.7 | 0 | 0 | 108.6 | I11 A15 | I11-Q13 PolarHBondContact O-N 3.31Å; I11-Q13 VanDerWaalsContact O-N 3.15Å; Q13-A15 PolarHBondContact O-N 2.93Å; Q13-A15 VanDerWaalsContact O-N 3.12Å | ||
| 14 | K | 46 | Very low | 58.5 | Low | 121 Ų | 121 | 98.1 Ų | 98.1 | 53% | 0.526 | 50% | 0.498 | S | S | . | . | trans | -59.7 | 121.7 | 179.3 | -78.3 | -173.9 | 170.7 | -165.1 | 0 | 105.8 | L12 K16 E81 | L12-K14 VanDerWaalsContact C-N 3.33Å; L12-K14 PolarHBondContact O-N 3.11Å; K14-K16 HydrophobicContact CB-CG 4.47Å; K14-K16 PolarHBondContact O-N 2.94Å; K14-E81 WeakPolarHBondContact CE-OE1 3.4Å; K14-E81 IonicContact NZ-OE1 2.68Å; K14-E81 PolarHBondContact NZ-OE1 2.78Å | ||
| 15 | A | 56.1 | Low | 60.8 | Low | 51 Ų | 51 | 90.4 Ų | 90.4 | 42% | 0.421 | 47% | 0.472 | S | S | . | . | trans | -59 | 113.2 | 157.2 | 0 | 0 | 0 | 0 | 0 | 104.7 | Q13 L17 D331 | Q13-A15 PolarHBondContact O-N 2.93Å; Q13-A15 VanDerWaalsContact O-N 3.12Å; A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 HydrophobicContact CB-CG 4.35Å; A15-L17 PolarHBondContact O-N 3.21Å; A15-D331 HydrophobicContact CB-CB 4.35Å; A15-D331 CarbonylContact O-C 3.5Å | ||
| 16 | K | 69.1 | Low | 62.8 | Low | 145 Ų | 145 | 84.4 Ų | 84.4 | 63% | 0.63 | 45% | 0.445 | S | S | * | . | trans | -92.1 | 75.1 | 175.2 | -76.2 | -179.4 | 162.9 | -114.9 | 0 | 107.1 | K14 G18 D333 | K14-K16 HydrophobicContact CB-CG 4.47Å; K14-K16 PolarHBondContact O-N 2.94Å; K16-G18 PolarHBondContact O-N 3.31Å; K16-D333 HydrophobicContact CB-CB 4.35Å; K16-D333 IonicContact NZ-OD1 3.95Å; K16-D333 PolarHBondContact NZ-OD1 3.16Å | ||
| 17 | L | 77 | Confident | 64.9 | Low | 42 Ų | 42 | 80.6 Ų | 80.6 | 22% | 0.22 | 43% | 0.425 | C | S | . | . | B | Isolated β-bridge | trans | -70.9 | 132.2 | 178.9 | -63.6 | 167.5 | 0 | 0 | 0 | 109.1 | A15 L21 D331 L332 D333 | A15-L17 VanDerWaalsContact C-N 3.33Å; A15-L17 HydrophobicContact CB-CG 4.35Å; A15-L17 PolarHBondContact O-N 3.21Å; L17-L21 HydrophobicContact CD2-CB 4.27Å; L17-D331 VanDerWaalsContact CB-O 3.26Å; L17-D331 WeakPolarHBondContact CB-O 3.45Å; L17-D331 HydrophobicContact CD1-CB 3.76Å; L17-D331 HydrophobicContact CG-CB 4.4Å; L17-D331 PolarHBondContact N-O 2.98Å; L17-L332 HydrophobicContact CB-CD2 4.13Å; L17-D333 PolarHBondContact O-N 3.32Å |
| 18 | G | 84.9 | Confident | 67.4 | Low | 39 Ų | 39 | 74.9 Ų | 74.9 | 40% | 0.402 | 40% | 0.395 | S | S | . | . | trans | -76.3 | 175.8 | 169.6 | 0 | 0 | 0 | 0 | 0 | 111.8 | K16 L20 G22 | K16-G18 PolarHBondContact O-N 3.31Å; G18-L20 VanDerWaalsContact C-N 3.29Å; G18-L20 PolarHBondContact O-N 3.31Å; G18-G22 WeakPolarHBondContact O-CA 3.38Å; G18-G22 PolarHBondContact O-N 2.98Å | ||
| 19 | T | 89.2 | Confident | 69.7 | Low | 35 Ų | 35 | 71.2 Ų | 71.2 | 22% | 0.215 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -57.7 | -38.6 | 179.8 | -49.3 | 0 | 0 | 0 | 0 | 113.5 | V23 Y24 S338 L341 | T19-V23 WeakPolarHBondContact O-CB 3.28Å; T19-V23 PolarHBondContact O-N 2.9Å; T19-V23 VanDerWaalsContact O-N 3.14Å; T19-Y24 PolarHBondContact O-N 2.94Å; T19-S338 WeakPolarHBondContact CG2-O 3.33Å; T19-S338 WeakPolarHBondContact OG1-CB 3.22Å; T19-S338 PolarHBondContact OG1-OG 3.08Å; T19-L341 HydrophobicContact CG2-CB 4.18Å; T19-L341 HydrophobicContact CG2-CD2 4.25Å; T19-L341 HydrophobicContact CG2-CG 4.28Å |
| 20 | L | 87.3 | Confident | 72.2 | Confident | 104 Ų | 104 | 68.3 Ų | 68.3 | 55% | 0.545 | 34% | 0.341 | S | S | . | . | I | π-helix | trans | -67.3 | -59.5 | -177.5 | -173.2 | 73.9 | 0 | 0 | 0 | 111.6 | G18 Y24 L25 | G18-L20 VanDerWaalsContact C-N 3.29Å; G18-L20 PolarHBondContact O-N 3.31Å; L20-Y24 HydrophobicContact CD1-CD1 3.46Å; L20-Y24 VanDerWaalsContact CD1-CD1 3.46Å; L20-Y24 HydrophobicContact CD1-CE1 4.02Å; L20-Y24 HydrophobicContact CD1-CG 4.16Å; L20-Y24 PolarHBondContact O-N 3.01Å; L20-L25 HydrophobicContact CD1-CD2 4.49Å; L20-L25 HydrophobicContact CD1-CG 4.41Å; L20-L25 HydrophobicContact CG-CD1 4.14Å; L20-L25 HydrophobicContact CG-CG 4.19Å; L20-L25 WeakPolarHBondContact O-CG 3.43Å; L20-L25 PolarHBondContact O-N 2.71Å |
| 21 | L | 82.1 | Confident | 74.7 | Confident | 112 Ų | 112 | 58.3 Ų | 58.3 | 59% | 0.586 | 30% | 0.304 | S | S | * | . | I | π-helix | trans | -72.2 | -33.2 | -176.7 | -74.8 | 163.3 | 0 | 0 | 0 | 113 | L17 L25 P26 | L17-L21 HydrophobicContact CD2-CB 4.27Å; L21-L25 HydrophobicContact CD2-CD1 3.94Å; L21-P26 WeakPolarHBondContact O-CD 3.38Å; L21-P26 WeakPolarHBondContact O-CG 3.29Å |
| 22 | G | 79.8 | Confident | 77.3 | Confident | 0 Ų | 0 | 53.3 Ų | 53.3 | 0% | 0 | 28% | 0.278 | C | S | . | . | I | π-helix | trans | -91 | -23.9 | -173.9 | 0 | 0 | 0 | 0 | 0 | 115.3 | G18 | G18-G22 WeakPolarHBondContact O-CA 3.38Å; G18-G22 PolarHBondContact O-N 2.98Å |
| 23 | V | 87.8 | Confident | 79.2 | Confident | 0 Ų | 0 | 46.7 Ų | 46.7 | 0% | 0 | 24% | 0.244 | C | C | . | . | I | π-helix | trans | -128 | -56.6 | -175.6 | -173.6 | 0 | 0 | 0 | 0 | 111.9 | T19 T27 L332 I339 | T19-V23 WeakPolarHBondContact O-CB 3.28Å; T19-V23 PolarHBondContact O-N 2.9Å; T19-V23 VanDerWaalsContact O-N 3.14Å; V23-T27 VanDerWaalsContact O-CB 3.27Å; V23-T27 WeakPolarHBondContact O-CB 3.41Å; V23-T27 PolarHBondContact O-N 2.81Å; V23-T27 VanDerWaalsContact O-N 3.08Å; V23-T27 PolarHBondContact O-OG1 3.4Å; V23-L332 HydrophobicContact CG2-CD1 3.54Å; V23-L332 HydrophobicContact CG2-CD2 3.76Å; V23-L332 HydrophobicContact CG2-CG 4.32Å; V23-I339 HydrophobicContact CG2-CG1 4.31Å |
| 24 | Y | 90.8 | Very high | 81.5 | Confident | 50 Ų | 50 | 37.4 Ų | 37.4 | 20% | 0.196 | 20% | 0.201 | C | C | . | . | I | π-helix | trans | -63.1 | -56.7 | -171.9 | 177.1 | -100.7 | 0 | 0 | 0 | 112.7 | T19 L20 T27 I28 S345 A346 T349 | T19-Y24 PolarHBondContact O-N 2.94Å; L20-Y24 HydrophobicContact CD1-CD1 3.46Å; L20-Y24 VanDerWaalsContact CD1-CD1 3.46Å; L20-Y24 HydrophobicContact CD1-CE1 4.02Å; L20-Y24 HydrophobicContact CD1-CG 4.16Å; L20-Y24 PolarHBondContact O-N 3.01Å; Y24-T27 PolarHBondContact O-N 2.84Å; Y24-I28 HydrophobicContact CD1-CD1 4.02Å; Y24-I28 HydrophobicContact CD2-CD1 4.13Å; Y24-I28 HydrophobicContact CE1-CD1 3.44Å; Y24-I28 VanDerWaalsContact CE1-CD1 3.44Å; Y24-I28 HydrophobicContact CE2-CD1 3.55Å; Y24-I28 HydrophobicContact CE2-CG1 4.4Å; Y24-I28 HydrophobicContact CG-CD1 4.35Å; Y24-I28 WeakPolarHBondContact O-CG1 3.36Å; Y24-I28 PolarHBondContact O-N 3.5Å; Y24-I28 WeakPolarHBondContact OH-CD1 3.19Å; Y24-S345 VanDerWaalsContact CD2-OG 3.27Å; Y24-S345 WeakPolarHBondContact CD2-OG 3.39Å; Y24-A346 HydrophobicContact CD2-CB 3.88Å; Y24-A346 HydrophobicContact CE2-CB 4.26Å; Y24-T349 PolarHBondContact OH-OG1 3.33Å |
| 25 | L | 87.7 | Confident | 83.5 | Confident | 42 Ų | 42 | 32 Ų | 32 | 22% | 0.22 | 18% | 0.178 | C | C | . | . | H | α-helix | trans | -63.8 | -45.3 | -177.1 | -61.9 | 173.8 | 0 | 0 | 0 | 112.6 | L20 L21 T27 I28 Q29 L179 | L20-L25 HydrophobicContact CD1-CD2 4.49Å; L20-L25 HydrophobicContact CD1-CG 4.41Å; L20-L25 HydrophobicContact CG-CD1 4.14Å; L20-L25 HydrophobicContact CG-CG 4.19Å; L20-L25 WeakPolarHBondContact O-CG 3.43Å; L20-L25 PolarHBondContact O-N 2.71Å; L21-L25 HydrophobicContact CD2-CD1 3.94Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.43Å; L25-I28 PolarHBondContact O-N 3.4Å; L25-Q29 WeakPolarHBondContact O-CB 3.42Å; L25-Q29 PolarHBondContact O-N 3.05Å; L25-L179 HydrophobicContact CB-CD2 3.65Å; L25-L179 HydrophobicContact CD2-CD2 3.49Å; L25-L179 VanDerWaalsContact CD2-CD2 3.49Å; L25-L179 HydrophobicContact CG-CD2 4.04Å |
| 26 | P | 83.8 | Confident | 85 | Confident | 11 Ų | 11 | 29.6 Ų | 29.6 | 7% | 0.071 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -61.8 | -35.1 | 175 | -25.1 | 35.3 | 0 | 0 | 0 | 113.7 | L21 N30 T324 M328 | L21-P26 WeakPolarHBondContact O-CD 3.38Å; L21-P26 WeakPolarHBondContact O-CG 3.29Å; P26-N30 PolarHBondContact O-N 3.3Å; P26-T324 HydrophobicContact CB-CG2 4.46Å; P26-M328 HydrophobicContact CB-CE 3.99Å; P26-M328 HydrophobicContact CB-SD 4.37Å; P26-M328 HydrophobicContact CG-CE 3.92Å; P26-M328 HydrophobicContact CG-SD 3.84Å |
| 27 | T | 88.4 | Confident | 85.8 | Confident | 1 Ų | 1 | 22.7 Ų | 22.7 | 1% | 0.006 | 13% | 0.128 | C | C | . | . | H | α-helix | trans | -68.2 | -46.8 | 177.7 | -56 | 0 | 0 | 0 | 0 | 110.4 | V23 Y24 L25 Q29 N30 V31 G325 A346 | V23-T27 VanDerWaalsContact O-CB 3.27Å; V23-T27 WeakPolarHBondContact O-CB 3.41Å; V23-T27 PolarHBondContact O-N 2.81Å; V23-T27 VanDerWaalsContact O-N 3.08Å; V23-T27 PolarHBondContact O-OG1 3.4Å; Y24-T27 PolarHBondContact O-N 2.84Å; L25-T27 VanDerWaalsContact C-N 3.29Å; L25-T27 PolarHBondContact O-N 3.43Å; T27-Q29 PolarHBondContact O-N 3.36Å; T27-N30 PolarHBondContact O-N 2.96Å; T27-V31 HydrophobicContact CG2-CG2 4.38Å; T27-V31 WeakPolarHBondContact O-CG2 3.24Å; T27-V31 PolarHBondContact O-N 3.08Å; T27-G325 PolarHBondContact OG1-N 3.45Å; T27-A346 HydrophobicContact CG2-CB 3.74Å |
| 28 | I | 89.4 | Confident | 86.3 | Confident | 8 Ų | 8 | 20.7 Ų | 20.7 | 4% | 0.041 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -60.3 | -46.6 | 177.2 | -73.5 | -172 | 0 | 0 | 0 | 111.8 | Y24 L25 N30 V31 F32 L179 A346 T349 T350 | Y24-I28 HydrophobicContact CD1-CD1 4.02Å; Y24-I28 HydrophobicContact CD2-CD1 4.13Å; Y24-I28 HydrophobicContact CE1-CD1 3.44Å; Y24-I28 VanDerWaalsContact CE1-CD1 3.44Å; Y24-I28 HydrophobicContact CE2-CD1 3.55Å; Y24-I28 HydrophobicContact CE2-CG1 4.4Å; Y24-I28 HydrophobicContact CG-CD1 4.35Å; Y24-I28 WeakPolarHBondContact O-CG1 3.36Å; Y24-I28 PolarHBondContact O-N 3.5Å; Y24-I28 WeakPolarHBondContact OH-CD1 3.19Å; L25-I28 PolarHBondContact O-N 3.4Å; I28-N30 PolarHBondContact O-N 2.97Å; I28-V31 PolarHBondContact O-N 3.13Å; I28-V31 VanDerWaalsContact O-N 3.17Å; I28-F32 HydrophobicContact CG2-CD2 3.31Å; I28-F32 HydrophobicContact CG2-CE2 3.24Å; I28-F32 HydrophobicContact CG2-CG 4.32Å; I28-F32 HydrophobicContact CG2-CZ 4.21Å; I28-F32 PolarHBondContact O-N 2.84Å; I28-L179 HydrophobicContact CG2-CD1 3.79Å; I28-A346 HydrophobicContact CD1-CB 4.48Å; I28-A346 HydrophobicContact CG1-CB 3.78Å; I28-T349 HydrophobicContact CD1-CG2 4.17Å; I28-T350 HydrophobicContact CG1-CG2 4.19Å |
| 29 | Q | 87 | Confident | 86.6 | Confident | 7 Ų | 7 | 19 Ų | 19 | 3% | 0.033 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -59.2 | -37.8 | -179.3 | -173.1 | -165.5 | -25.9 | 0 | 0 | 112 | L25 T27 A175 S178 L179 | L25-Q29 WeakPolarHBondContact O-CB 3.42Å; L25-Q29 PolarHBondContact O-N 3.05Å; T27-Q29 PolarHBondContact O-N 3.36Å; Q29-A175 VanDerWaalsContact OE1-CA 3.28Å; Q29-A175 PolarHBondContact OE1-O 3.04Å; Q29-S178 VanDerWaalsContact CD-OG 3.29Å; Q29-S178 PolarHBondContact NE2-OG 3.32Å; Q29-L179 HydrophobicContact CB-CD1 4.26Å; Q29-L179 HydrophobicContact CG-CB 4.41Å |
| 30 | N | 85 | Confident | 86.7 | Confident | 4 Ų | 4 | 17.3 Ų | 17.3 | 2% | 0.021 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -77.2 | -30.6 | 179.1 | -161.3 | 85.9 | 0 | 0 | 0 | 112.9 | P26 T27 I28 Y115 G321 T324 | P26-N30 PolarHBondContact O-N 3.3Å; T27-N30 PolarHBondContact O-N 2.96Å; I28-N30 PolarHBondContact O-N 2.97Å; N30-Y115 PolarHBondContact O-OH 3.48Å; N30-G321 VanDerWaalsContact ND2-CA 3.29Å; N30-G321 WeakPolarHBondContact ND2-CA 3.49Å; N30-T324 HydrophobicContact CB-CG2 4.18Å |
| 31 | V | 88.5 | Confident | 86.9 | Confident | 2 Ų | 2 | 12.3 Ų | 12.3 | 1% | 0.012 | 6% | 0.063 | C | C | . | . | H | α-helix | trans | -73.6 | -41.5 | 177.8 | 174.3 | 0 | 0 | 0 | 0 | 110.9 | T27 I28 G33 A318 T320 T350 F354 | T27-V31 HydrophobicContact CG2-CG2 4.38Å; T27-V31 WeakPolarHBondContact O-CG2 3.24Å; T27-V31 PolarHBondContact O-N 3.08Å; I28-V31 PolarHBondContact O-N 3.13Å; I28-V31 VanDerWaalsContact O-N 3.17Å; V31-G33 PolarHBondContact O-N 3.3Å; V31-A318 VanDerWaalsContact CG1-O 3.3Å; V31-A318 WeakPolarHBondContact CG1-O 3.36Å; V31-T320 VanDerWaalsContact CG2-O 3.27Å; V31-T320 WeakPolarHBondContact CG2-O 3.21Å; V31-T350 HydrophobicContact CB-CG2 3.97Å; V31-T350 HydrophobicContact CG1-CG2 3.59Å; V31-F354 HydrophobicContact CG1-CE2 3.97Å; V31-F354 HydrophobicContact CG1-CZ 3.87Å |
| 32 | F | 88.1 | Confident | 87.4 | Confident | 6 Ų | 6 | 7 Ų | 7 | 3% | 0.026 | 4% | 0.035 | C | C | . | . | S | Bend | trans | -75.2 | 66.9 | 178.5 | -68.3 | -32.4 | 0 | 0 | 0 | 113.1 | I28 M36 V182 I186 T350 V353 F354 S402 | I28-F32 HydrophobicContact CG2-CD2 3.31Å; I28-F32 HydrophobicContact CG2-CE2 3.24Å; I28-F32 HydrophobicContact CG2-CG 4.32Å; I28-F32 HydrophobicContact CG2-CZ 4.21Å; I28-F32 PolarHBondContact O-N 2.84Å; F32-M36 HydrophobicContact CD1-CE 4.34Å; F32-M36 HydrophobicContact CD1-SD 3.52Å; F32-M36 VanDerWaalsContact CD1-SD 3.52Å; F32-M36 HydrophobicContact CE1-SD 3.85Å; F32-M36 HydrophobicContact CG-SD 4.33Å; F32-V182 HydrophobicContact CB-CG1 3.92Å; F32-V182 HydrophobicContact CD2-CG1 3.7Å; F32-V182 HydrophobicContact CG-CG1 4.15Å; F32-I186 HydrophobicContact CD2-CD1 3.94Å; F32-I186 HydrophobicContact CE1-CD1 4.46Å; F32-I186 HydrophobicContact CE2-CD1 3.63Å; F32-I186 HydrophobicContact CG-CD1 4.47Å; F32-I186 HydrophobicContact CZ-CD1 3.94Å; F32-T350 HydrophobicContact CD1-CG2 4.27Å; F32-T350 HydrophobicContact CE1-CG2 3.7Å; F32-T350 HydrophobicContact CE2-CG2 4.46Å; F32-T350 HydrophobicContact CZ-CG2 3.8Å; F32-V353 HydrophobicContact CE1-CB 4.11Å; F32-V353 HydrophobicContact CE1-CG1 4.04Å; F32-V353 HydrophobicContact CZ-CB 4.1Å; F32-V353 HydrophobicContact CZ-CG1 4.18Å; F32-V353 HydrophobicContact CZ-CG2 4.01Å; F32-F354 HydrophobicContact CD1-CE1 4.27Å; F32-F354 HydrophobicContact CD1-CZ 4.3Å; F32-F354 HydrophobicContact CE1-CE1 4.41Å; F32-F354 HydrophobicContact CE1-CZ 4.48Å; F32-S402 PolarHBondContact O-OG 2.94Å |
| 33 | G | 79.9 | Confident | 88 | Confident | 4 Ų | 4 | 7 Ų | 7 | 4% | 0.041 | 4% | 0.035 | C | C | . | . | trans | -87.1 | -163.3 | -179.1 | 0 | 0 | 0 | 0 | 0 | 115.7 | V31 I35 | V31-G33 PolarHBondContact O-N 3.3Å; G33-I35 VanDerWaalsContact C-N 3.32Å; G33-I35 PolarHBondContact O-N 3.16Å | ||
| 34 | V | 83.4 | Confident | 88.3 | Confident | 2 Ų | 2 | 7 Ų | 7 | 1% | 0.012 | 4% | 0.035 | C | C | . | . | H | α-helix | trans | -52.1 | -46.8 | 178.2 | -179.3 | 0 | 0 | 0 | 0 | 112 | M36 F37 I38 Y115 T403 | V34-M36 VanDerWaalsContact C-N 3.32Å; V34-M36 PolarHBondContact O-N 3.32Å; V34-F37 PolarHBondContact O-N 3.48Å; V34-F37 VanDerWaalsContact O-N 3.16Å; V34-I38 HydrophobicContact CG1-CB 4.48Å; V34-I38 HydrophobicContact CG1-CD1 3.39Å; V34-I38 HydrophobicContact CG1-CG1 4.07Å; V34-I38 PolarHBondContact O-N 2.93Å; V34-I38 VanDerWaalsContact O-N 3.1Å; V34-Y115 HydrophobicContact CG2-CD1 3.85Å; V34-T403 HydrophobicContact CB-CG2 3.91Å; V34-T403 HydrophobicContact CG1-CG2 4.47Å; V34-T403 HydrophobicContact CG2-CG2 3.22Å |
| 35 | I | 88 | Confident | 88.4 | Confident | 6 Ų | 6 | 4.6 Ų | 4.6 | 3% | 0.031 | 3% | 0.025 | C | C | . | . | H | α-helix | trans | -65.1 | -35.9 | -165.2 | -63.8 | 161.9 | 0 | 0 | 0 | 111.7 | G33 F37 R39 L40 M114 I314 F315 P317 A318 | G33-I35 VanDerWaalsContact C-N 3.32Å; G33-I35 PolarHBondContact O-N 3.16Å; I35-F37 PolarHBondContact O-N 2.77Å; I35-R39 HydrophobicContact CG2-CB 4.08Å; I35-R39 PolarHBondContact O-N 2.92Å; I35-L40 PolarHBondContact O-N 3.29Å; I35-M114 HydrophobicContact CD1-CE 4.21Å; I35-M114 HydrophobicContact CD1-SD 3.99Å; I35-I314 WeakPolarHBondContact CD1-O 3.34Å; I35-F315 HydrophobicContact CG2-CD2 4.43Å; I35-P317 HydrophobicContact CD1-CB 3.5Å; I35-P317 VanDerWaalsContact CD1-CB 3.5Å; I35-P317 HydrophobicContact CD1-CG 3.56Å; I35-A318 HydrophobicContact CB-CB 3.97Å; I35-A318 HydrophobicContact CD1-CB 4.47Å; I35-A318 HydrophobicContact CG2-CB 3.88Å |
| 36 | M | 88.4 | Confident | 88.6 | Confident | 1 Ų | 1 | 2.6 Ų | 2.6 | 1% | 0.005 | 2% | 0.015 | C | C | . | . | H | α-helix | trans | -59.3 | -37.8 | 179 | -170.7 | -177.1 | 85.5 | 0 | 0 | 112.2 | F32 V34 L40 I186 V353 F354 F357 | F32-M36 HydrophobicContact CD1-CE 4.34Å; F32-M36 HydrophobicContact CD1-SD 3.52Å; F32-M36 VanDerWaalsContact CD1-SD 3.52Å; F32-M36 HydrophobicContact CE1-SD 3.85Å; F32-M36 HydrophobicContact CG-SD 4.33Å; V34-M36 VanDerWaalsContact C-N 3.32Å; V34-M36 PolarHBondContact O-N 3.32Å; M36-L40 HydrophobicContact CG-CD2 4.28Å; M36-L40 WeakPolarHBondContact O-CB 3.12Å; M36-I186 HydrophobicContact CE-CD1 4.03Å; M36-I186 HydrophobicContact CE-CG1 3.82Å; M36-V353 HydrophobicContact SD-CG1 4.08Å; M36-F354 HydrophobicContact CB-CE1 3.93Å; M36-F354 HydrophobicContact CG-CD1 3.91Å; M36-F354 HydrophobicContact CG-CE1 3.62Å; M36-F354 HydrophobicContact SD-CD1 4.01Å; M36-F354 HydrophobicContact SD-CE1 3.61Å; M36-F357 HydrophobicContact CE-CE1 4.12Å; M36-F357 HydrophobicContact CG-CD1 4.49Å |
| 37 | F | 85.8 | Confident | 89.1 | Confident | 0 Ų | 0 | 2.1 Ų | 2.1 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -94.3 | -34.5 | -171.5 | -65.5 | -59.7 | 0 | 0 | 0 | 113.8 | V34 I35 V182 I186 S384 M395 V399 | V34-F37 PolarHBondContact O-N 3.48Å; V34-F37 VanDerWaalsContact O-N 3.16Å; I35-F37 PolarHBondContact O-N 2.77Å; F37-V182 HydrophobicContact CZ-CG1 4.18Å; F37-I186 HydrophobicContact CE1-CG1 4.45Å; F37-I186 HydrophobicContact CZ-CG1 4.44Å; F37-S384 PolarHBondContact O-OG 3.29Å; F37-M395 HydrophobicContact CB-CE 4.37Å; F37-M395 HydrophobicContact CD1-CE 3.25Å; F37-M395 HydrophobicContact CD1-SD 3.79Å; F37-M395 HydrophobicContact CE1-CE 3.77Å; F37-M395 HydrophobicContact CE1-SD 3.86Å; F37-M395 HydrophobicContact CG-CE 4.2Å; F37-V399 HydrophobicContact CB-CB 4.41Å; F37-V399 HydrophobicContact CB-CG1 4.1Å; F37-V399 HydrophobicContact CB-CG2 3.43Å; F37-V399 VanDerWaalsContact CB-CG2 3.43Å; F37-V399 HydrophobicContact CD1-CG2 4.26Å; F37-V399 HydrophobicContact CD2-CB 4.39Å; F37-V399 HydrophobicContact CD2-CG1 4.32Å; F37-V399 HydrophobicContact CD2-CG2 3.83Å; F37-V399 HydrophobicContact CG-CG2 3.61Å |
| 38 | I | 87.8 | Confident | 89.3 | Confident | 0 Ų | 0 | 2 Ų | 2 | 0% | 0 | 1% | 0.011 | C | C | . | . | H | α-helix | trans | -101.8 | -31.2 | -173.4 | -47.7 | -178.3 | 0 | 0 | 0 | 112.7 | V34 H41 V122 V399 | V34-I38 HydrophobicContact CG1-CB 4.48Å; V34-I38 HydrophobicContact CG1-CD1 3.39Å; V34-I38 HydrophobicContact CG1-CG1 4.07Å; V34-I38 PolarHBondContact O-N 2.93Å; V34-I38 VanDerWaalsContact O-N 3.1Å; I38-H41 PolarHBondContact O-NE2 3.05Å; I38-V122 HydrophobicContact CD1-CG2 3.16Å; I38-V122 HydrophobicContact CG1-CG2 3.99Å; I38-V399 HydrophobicContact CD1-CG1 4.26Å; I38-V399 HydrophobicContact CG1-CG1 4.15Å |
| 39 | R | 90.6 | Very high | 89.5 | Confident | 3 Ų | 3 | 2.6 Ų | 2.6 | 1% | 0.011 | 1% | 0.014 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -112.5 | -20.4 | -171.9 | -65.5 | -65.2 | -171.2 | -101 | -9.9 | 113.6 | I35 H41 W42 V43 E121 I314 K373 D463 | I35-R39 HydrophobicContact CG2-CB 4.08Å; I35-R39 PolarHBondContact O-N 2.92Å; R39-H41 VanDerWaalsContact C-N 3.35Å; R39-H41 PolarHBondContact O-N 2.85Å; R39-W42 WeakPolarHBondContact O-CB 3.39Å; R39-W42 PolarHBondContact O-N 2.91Å; R39-W42 VanDerWaalsContact O-N 3.12Å; R39-V43 WeakPolarHBondContact O-CG2 3.24Å; R39-V43 PolarHBondContact O-N 2.89Å; R39-E121 IonicContact CZ-OE1 3.7Å; R39-E121 VanDerWaalsContact CZ-OE1 3.27Å; R39-E121 IonicContact CZ-OE2 2.69Å; R39-E121 IonicContact NH1-OE1 3.02Å; R39-E121 PolarHBondContact NH1-OE1 2.92Å; R39-E121 IonicContact NH1-OE2 2.74Å; R39-E121 IonicContact NH2-OE1 3.62Å; R39-E121 PolarHBondContact NH2-OE1 3.44Å; R39-E121 IonicContact NH2-OE2 3.63Å; R39-E121 PolarHBondContact NH2-OE2 2.81Å; R39-I314 HydrophobicContact CB-CG2 4.49Å; R39-K373 VanDerWaalsContact NE-CE 3.28Å; R39-D463 IonicContact CZ-OD1 3.5Å; R39-D463 IonicContact NE-OD1 3.03Å; R39-D463 PolarHBondContact NE-OD1 3.36Å; R39-D463 IonicContact NE-OD2 2.78Å; R39-D463 IonicContact NH2-OD1 3.93Å; R39-D463 IonicContact NH2-OD2 3.9Å; R39-D463 PolarHBondContact NH2-OD2 3.02Å |
| 40 | L | 91.1 | Very high | 89.8 | Confident | 0 Ų | 0 | 6.6 Ų | 6.6 | 0% | 0 | 3% | 0.031 | C | C | . | . | H | α-helix | trans | -60.6 | -40.6 | -176.6 | -173 | 56.6 | 0 | 0 | 0 | 113.1 | I35 M36 W42 V43 V44 F315 F357 I358 Y361 | I35-L40 PolarHBondContact O-N 3.29Å; M36-L40 HydrophobicContact CG-CD2 4.28Å; M36-L40 WeakPolarHBondContact O-CB 3.12Å; L40-W42 VanDerWaalsContact C-N 3.33Å; L40-W42 PolarHBondContact O-N 3.4Å; L40-V43 PolarHBondContact O-N 3.11Å; L40-V44 VanDerWaalsContact O-CG2 3.3Å; L40-V44 WeakPolarHBondContact O-CG2 3.25Å; L40-V44 PolarHBondContact O-N 2.88Å; L40-V44 VanDerWaalsContact O-N 3.1Å; L40-F315 HydrophobicContact CD1-CD2 4.19Å; L40-F315 HydrophobicContact CD1-CE2 3.8Å; L40-F357 HydrophobicContact CD2-CB 3.53Å; L40-F357 HydrophobicContact CD2-CD1 4.09Å; L40-F357 HydrophobicContact CD2-CG 4.27Å; L40-I358 HydrophobicContact CD1-CD1 4.36Å; L40-I358 HydrophobicContact CD1-CG1 3.83Å; L40-I358 HydrophobicContact CG-CG1 4.46Å; L40-Y361 HydrophobicContact CB-CE2 4.27Å; L40-Y361 HydrophobicContact CD2-CE2 4.19Å; L40-Y361 HydrophobicContact CG-CD2 4.31Å; L40-Y361 HydrophobicContact CG-CE2 4.12Å |
| 41 | H | 91.4 | Very high | 90.3 | Very high | 0 Ų | 0 | 8.7 Ų | 8.7 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -63.8 | -40.2 | 176.2 | 61.4 | 87.4 | 0 | 0 | 0 | 111.7 | I38 R39 V44 G45 Y361 L370 | I38-H41 PolarHBondContact O-NE2 3.05Å; R39-H41 VanDerWaalsContact C-N 3.35Å; R39-H41 PolarHBondContact O-N 2.85Å; H41-V44 PolarHBondContact O-N 3.36Å; H41-G45 PolarHBondContact O-N 3.45Å; H41-Y361 HydrophobicContact CB-CD2 4.14Å; H41-Y361 HydrophobicContact CB-CE2 4.24Å; H41-Y361 HydrophobicContact CB-CG 4.41Å; H41-L370 HydrophobicContact CB-CD2 3.91Å |
| 42 | W | 92.4 | Very high | 90.6 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 4% | 0.041 | C | C | . | . | H | α-helix | trans | -65.7 | -41.5 | 177.1 | -177.8 | 75.5 | 0 | 0 | 0 | 112.7 | R39 L40 V44 G45 M46 Q302 I304 L311 I314 L370 K373 | R39-W42 WeakPolarHBondContact O-CB 3.39Å; R39-W42 PolarHBondContact O-N 2.91Å; R39-W42 VanDerWaalsContact O-N 3.12Å; L40-W42 VanDerWaalsContact C-N 3.33Å; L40-W42 PolarHBondContact O-N 3.4Å; W42-V44 VanDerWaalsContact C-N 3.29Å; W42-V44 PolarHBondContact O-N 3.44Å; W42-G45 PolarHBondContact O-N 3.32Å; W42-G45 VanDerWaalsContact O-N 3.16Å; W42-M46 HydrophobicContact CD2-CG 4.39Å; W42-M46 HydrophobicContact CZ2-CE 3.82Å; W42-M46 HydrophobicContact CZ2-CG 4.3Å; W42-M46 WeakPolarHBondContact O-CG 3.49Å; W42-M46 PolarHBondContact O-N 3.33Å; W42-Q302 VanDerWaalsContact NE1-OE1 3.09Å; W42-I304 HydrophobicContact CH2-CG2 3.76Å; W42-I304 HydrophobicContact CZ2-CG2 4.08Å; W42-L311 HydrophobicContact CE3-CD2 4.08Å; W42-L311 HydrophobicContact CH2-CD2 3.86Å; W42-L311 HydrophobicContact CZ3-CD2 3.51Å; W42-I314 HydrophobicContact CH2-CD1 4.14Å; W42-I314 HydrophobicContact CZ3-CD1 3.78Å; W42-L370 VanDerWaalsContact CA-O 3.29Å; W42-L370 WeakPolarHBondContact CA-O 3.3Å; W42-K373 HydrophobicContact CG-CB 4.35Å; W42-K373 HydrophobicContact CG-CG 4.49Å |
| 43 | V | 93 | Very high | 90.9 | Very high | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.051 | C | C | . | . | H | α-helix | trans | -58.6 | -41.9 | 172.5 | 173.9 | 0 | 0 | 0 | 0 | 111 | R39 L40 A47 L311 | R39-V43 WeakPolarHBondContact O-CG2 3.24Å; R39-V43 PolarHBondContact O-N 2.89Å; L40-V43 PolarHBondContact O-N 3.11Å; V43-A47 WeakPolarHBondContact O-CB 3.46Å; V43-A47 PolarHBondContact O-N 2.96Å; V43-L311 HydrophobicContact CG2-CD2 4.39Å |
| 44 | V | 93.9 | Very high | 91.6 | Very high | 0 Ų | 0 | 13.3 Ų | 13.3 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -68.2 | -37.5 | 176.7 | 178.1 | 0 | 0 | 0 | 0 | 111.8 | L40 H41 W42 G48 A52 I358 L370 | L40-V44 VanDerWaalsContact O-CG2 3.3Å; L40-V44 WeakPolarHBondContact O-CG2 3.25Å; L40-V44 PolarHBondContact O-N 2.88Å; L40-V44 VanDerWaalsContact O-N 3.1Å; H41-V44 PolarHBondContact O-N 3.36Å; W42-V44 VanDerWaalsContact C-N 3.29Å; W42-V44 PolarHBondContact O-N 3.44Å; V44-G48 WeakPolarHBondContact O-CA 3.32Å; V44-G48 PolarHBondContact O-N 3.29Å; V44-A52 HydrophobicContact CG2-CB 4.14Å; V44-I358 HydrophobicContact CG2-CB 4.13Å; V44-I358 HydrophobicContact CG2-CG1 3.93Å; V44-I358 HydrophobicContact CG2-CG2 3.99Å; V44-L370 HydrophobicContact CG1-CD1 4.2Å |
| 45 | G | 92.1 | Very high | 92.1 | Very high | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 6% | 0.064 | C | C | . | . | H | α-helix | trans | -59.8 | -50.8 | 176.3 | 0 | 0 | 0 | 0 | 0 | 112.6 | H41 W42 R367 L370 | H41-G45 PolarHBondContact O-N 3.45Å; W42-G45 PolarHBondContact O-N 3.32Å; W42-G45 VanDerWaalsContact O-N 3.16Å; G45-R367 PolarHBondContact O-NE 3.23Å; G45-R367 PolarHBondContact O-NH2 3.06Å; G45-L370 VanDerWaalsContact CA-CB 3.44Å |
| 46 | M | 92.9 | Very high | 92.4 | Very high | 0 Ų | 0 | 13 Ų | 13 | 0% | 0 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -75.4 | -49.3 | -176.7 | -63.4 | -59 | -138 | 0 | 0 | 113.3 | W42 G48 H281 L283 Q302 S306 L311 T371 | W42-M46 HydrophobicContact CD2-CG 4.39Å; W42-M46 HydrophobicContact CZ2-CE 3.82Å; W42-M46 HydrophobicContact CZ2-CG 4.3Å; W42-M46 WeakPolarHBondContact O-CG 3.49Å; W42-M46 PolarHBondContact O-N 3.33Å; M46-G48 VanDerWaalsContact C-N 3.33Å; M46-H281 CarbonylContact O-C 3.6Å; M46-H281 PolarHBondContact O-N 3.02Å; M46-L283 HydrophobicContact CE-CB 4Å; M46-L283 HydrophobicContact CE-CD1 4.08Å; M46-L283 HydrophobicContact CE-CG 4.45Å; M46-L283 HydrophobicContact SD-CB 4.45Å; M46-L283 HydrophobicContact SD-CD1 4.04Å; M46-L283 HydrophobicContact SD-CG 4.38Å; M46-Q302 HydrophobicContact CE-CG 3.73Å; M46-S306 WeakPolarHBondContact CE-OG 3.39Å; M46-L311 HydrophobicContact CB-CD1 3.76Å; M46-L311 HydrophobicContact CB-CD2 4.42Å; M46-T371 HydrophobicContact SD-CG2 4.09Å |
| 47 | A | 93.1 | Very high | 92.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -78.5 | -20.6 | -177.7 | 0 | 0 | 0 | 0 | 0 | 112.3 | V43 H51 A52 I55 P280 L311 | V43-A47 WeakPolarHBondContact O-CB 3.46Å; V43-A47 PolarHBondContact O-N 2.96Å; A47-H51 HydrophobicContact CB-CB 3.82Å; A47-H51 WeakPolarHBondContact O-CB 3.47Å; A47-A52 HydrophobicContact CB-CB 4.2Å; A47-I55 HydrophobicContact CB-CD1 4.21Å; A47-P280 WeakPolarHBondContact O-CA 3.23Å; A47-P280 VanDerWaalsContact O-CB 3.3Å; A47-P280 WeakPolarHBondContact O-CB 3.29Å; A47-L311 HydrophobicContact CB-CD1 3.83Å |
| 48 | G | 93.5 | Very high | 93.1 | Very high | 0 Ų | 0 | 18 Ų | 18 | 0% | 0 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | 68.3 | 173.3 | -165.2 | 0 | 0 | 0 | 0 | 0 | 112.2 | V44 M46 F50 A52 N277 | V44-G48 WeakPolarHBondContact O-CA 3.32Å; V44-G48 PolarHBondContact O-N 3.29Å; M46-G48 VanDerWaalsContact C-N 3.33Å; G48-F50 VanDerWaalsContact C-N 3.34Å; G48-F50 PolarHBondContact O-N 3.41Å; G48-A52 WeakPolarHBondContact O-CB 3.41Å; G48-A52 PolarHBondContact O-N 3.3Å; G48-N277 CarbonylContact C-O 3.42Å; G48-N277 WeakPolarHBondContact CA-O 3.45Å |
| 49 | L | 92.9 | Very high | 93.4 | Very high | 20 Ų | 20 | 18 Ų | 18 | 11% | 0.105 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -59.8 | -42.7 | -175.3 | -175.2 | 67 | 0 | 0 | 0 | 112.2 | L53 N277 F278 I358 V359 | L49-L53 HydrophobicContact CD1-CD1 4.34Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.19Å; L49-L53 PolarHBondContact O-N 2.83Å; L49-L53 VanDerWaalsContact O-N 3.13Å; L49-N277 PolarHBondContact N-O 3.49Å; L49-F278 HydrophobicContact CD2-CD2 4.43Å; L49-I358 HydrophobicContact CD1-CG2 3.86Å; L49-V359 HydrophobicContact CD1-CG2 4.45Å |
| 50 | F | 93.9 | Very high | 93.6 | Very high | 90 Ų | 90 | 18.3 Ų | 18.3 | 40% | 0.395 | 9% | 0.094 | S | C | . | . | H | α-helix | trans | -69.1 | -53 | -174.4 | -177.6 | -114.7 | 0 | 0 | 0 | 112.8 | G48 L53 I54 F278 | G48-F50 VanDerWaalsContact C-N 3.34Å; G48-F50 PolarHBondContact O-N 3.41Å; F50-L53 PolarHBondContact O-N 3.34Å; F50-I54 HydrophobicContact CD1-CD1 4.15Å; F50-I54 HydrophobicContact CE1-CD1 3.66Å; F50-I54 HydrophobicContact CE2-CD1 4.14Å; F50-I54 HydrophobicContact CZ-CD1 3.66Å; F50-I54 WeakPolarHBondContact O-CG1 3.29Å; F50-I54 PolarHBondContact O-N 2.87Å; F50-F278 HydrophobicContact CB-CD1 4.42Å; F50-F278 HydrophobicContact CB-CE1 3.99Å; F50-F278 HydrophobicContact CB-CE2 4.16Å; F50-F278 HydrophobicContact CB-CZ 3.85Å; F50-F278 HydrophobicContact CD2-CZ 4.02Å; F50-F278 HydrophobicContact CG-CE1 4.29Å; F50-F278 HydrophobicContact CG-CZ 4.08Å; F50-F278 PolarHBondContact N-O 3.32Å |
| 51 | H | 94.9 | Very high | 93.8 | Very high | 49 Ų | 49 | 21.4 Ų | 21.4 | 23% | 0.227 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -69.2 | -36.1 | 179.6 | -75.7 | -134.2 | 0 | 0 | 0 | 111.5 | A47 L53 I54 I55 Y282 F308 | A47-H51 HydrophobicContact CB-CB 3.82Å; A47-H51 WeakPolarHBondContact O-CB 3.47Å; H51-L53 VanDerWaalsContact C-N 3.33Å; H51-L53 PolarHBondContact O-N 2.89Å; H51-I54 PolarHBondContact O-N 3.5Å; H51-I54 VanDerWaalsContact O-N 3.15Å; H51-I55 WeakPolarHBondContact O-CG1 3.32Å; H51-I55 PolarHBondContact O-N 2.91Å; H51-Y282 PolarHBondContact ND1-OH 2.83Å; H51-Y282 VanDerWaalsContact ND1-OH 3.09Å; H51-F308 HydrophobicContact CB-CD2 4.14Å; H51-F308 HydrophobicContact CB-CE2 4.2Å; H51-F308 AromaticContact ND1-CD2 3.46Å; H51-F308 WeakPolarHBondContact ND1-CD2 3.48Å; H51-F308 AromaticContact ND1-CE2 3.97Å |
| 52 | A | 95 | Very high | 93.9 | Very high | 0 Ų | 0 | 21.4 Ų | 21.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -59.6 | -43.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 111.9 | V44 A47 G48 I54 I55 V56 I358 | V44-A52 HydrophobicContact CG2-CB 4.14Å; A47-A52 HydrophobicContact CB-CB 4.2Å; G48-A52 WeakPolarHBondContact O-CB 3.41Å; G48-A52 PolarHBondContact O-N 3.3Å; A52-I54 VanDerWaalsContact C-N 3.34Å; A52-I54 PolarHBondContact O-N 2.94Å; A52-I55 PolarHBondContact O-N 2.83Å; A52-V56 WeakPolarHBondContact O-CG2 3.35Å; A52-V56 PolarHBondContact O-N 3.5Å; A52-V56 VanDerWaalsContact O-N 3.1Å; A52-I358 HydrophobicContact CB-CG2 3.92Å |
| 53 | L | 94.9 | Very high | 94 | Very high | 48 Ų | 48 | 21.4 Ų | 21.4 | 25% | 0.251 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -60.5 | -42.6 | 174.7 | -76.4 | 171.9 | 0 | 0 | 0 | 112 | L49 F50 H51 V56 V57 I355 I358 V359 | L49-L53 HydrophobicContact CD1-CD1 4.34Å; L49-L53 HydrophobicContact CG-CD1 4.22Å; L49-L53 WeakPolarHBondContact O-CB 3.46Å; L49-L53 VanDerWaalsContact O-CG 3.26Å; L49-L53 WeakPolarHBondContact O-CG 3.19Å; L49-L53 PolarHBondContact O-N 2.83Å; L49-L53 VanDerWaalsContact O-N 3.13Å; F50-L53 PolarHBondContact O-N 3.34Å; H51-L53 VanDerWaalsContact C-N 3.33Å; H51-L53 PolarHBondContact O-N 2.89Å; L53-V56 PolarHBondContact O-N 2.9Å; L53-V57 WeakPolarHBondContact O-CB 3.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.19Å; L53-V57 PolarHBondContact O-N 3.46Å; L53-I355 HydrophobicContact CD2-CG2 3.98Å; L53-I358 HydrophobicContact CD2-CB 4.39Å; L53-I358 HydrophobicContact CD2-CG2 3.9Å; L53-I358 HydrophobicContact CG-CG2 3.93Å; L53-V359 HydrophobicContact CD2-CG2 4.34Å |
| 54 | I | 95.1 | Very high | 94.1 | Very high | 61 Ų | 61 | 24.4 Ų | 24.4 | 31% | 0.313 | 12% | 0.123 | S | C | . | . | H | α-helix | trans | -62.4 | -47 | 177.2 | -66.7 | 171.3 | 0 | 0 | 0 | 110.9 | F50 H51 A52 V56 V57 L58 F308 | F50-I54 HydrophobicContact CD1-CD1 4.15Å; F50-I54 HydrophobicContact CE1-CD1 3.66Å; F50-I54 HydrophobicContact CE2-CD1 4.14Å; F50-I54 HydrophobicContact CZ-CD1 3.66Å; F50-I54 WeakPolarHBondContact O-CG1 3.29Å; F50-I54 PolarHBondContact O-N 2.87Å; H51-I54 PolarHBondContact O-N 3.5Å; H51-I54 VanDerWaalsContact O-N 3.15Å; A52-I54 VanDerWaalsContact C-N 3.34Å; A52-I54 PolarHBondContact O-N 2.94Å; I54-V56 VanDerWaalsContact C-N 3.31Å; I54-V56 PolarHBondContact O-N 3.34Å; I54-V57 PolarHBondContact O-N 2.82Å; I54-L58 HydrophobicContact CG2-CD1 3.74Å; I54-L58 HydrophobicContact CG2-CG 4.21Å; I54-L58 WeakPolarHBondContact O-CB 3.11Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.15Å; I54-L58 PolarHBondContact O-N 3.04Å; I54-F308 HydrophobicContact CG2-CE2 4.33Å; I54-F308 HydrophobicContact CG2-CZ 4Å |
| 55 | I | 94.4 | Very high | 94.2 | Very high | 0 Ų | 0 | 25.8 Ų | 25.8 | 0% | 0 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -54.7 | -50.1 | 179.1 | -70.4 | 167.7 | 0 | 0 | 0 | 110.1 | A47 H51 A52 L58 C59 F308 L311 L312 F315 | A47-I55 HydrophobicContact CB-CD1 4.21Å; H51-I55 WeakPolarHBondContact O-CG1 3.32Å; H51-I55 PolarHBondContact O-N 2.91Å; A52-I55 PolarHBondContact O-N 2.83Å; I55-L58 PolarHBondContact O-N 3.26Å; I55-C59 PolarHBondContact O-N 2.68Å; I55-C59 PolarHBondContact O-SG 3.2Å; I55-F308 HydrophobicContact CD1-CD2 3.95Å; I55-F308 HydrophobicContact CD1-CE2 3.95Å; I55-F308 HydrophobicContact CG1-CD2 3.91Å; I55-F308 HydrophobicContact CG1-CE2 3.4Å; I55-F308 VanDerWaalsContact CG1-CE2 3.4Å; I55-F308 HydrophobicContact CG1-CZ 3.77Å; I55-L311 HydrophobicContact CD1-CB 3.99Å; I55-L312 HydrophobicContact CG1-CB 4.45Å; I55-L312 HydrophobicContact CG2-CB 4.1Å; I55-L312 HydrophobicContact CG2-CG 4.2Å; I55-F315 HydrophobicContact CG2-CB 4.09Å; I55-F315 HydrophobicContact CG2-CD1 4.13Å; I55-F315 HydrophobicContact CG2-CG 4.29Å |
| 56 | V | 94.1 | Very high | 94.3 | Very high | 0 Ų | 0 | 25.9 Ų | 25.9 | 0% | 0 | 13% | 0.13 | C | C | . | . | H | α-helix | trans | -70.1 | -40 | -176.3 | 173.6 | 0 | 0 | 0 | 0 | 112.2 | A52 L53 I54 C59 C60 F315 F354 I355 I358 | A52-V56 WeakPolarHBondContact O-CG2 3.35Å; A52-V56 PolarHBondContact O-N 3.5Å; A52-V56 VanDerWaalsContact O-N 3.1Å; L53-V56 PolarHBondContact O-N 2.9Å; I54-V56 VanDerWaalsContact C-N 3.31Å; I54-V56 PolarHBondContact O-N 3.34Å; V56-C59 PolarHBondContact O-N 3.47Å; V56-C60 VanDerWaalsContact O-CB 3.29Å; V56-C60 WeakPolarHBondContact O-CB 3.38Å; V56-C60 PolarHBondContact O-N 3Å; V56-C60 PolarHBondContact O-SG 2.94Å; V56-F315 HydrophobicContact CB-CE1 3.9Å; V56-F315 HydrophobicContact CB-CZ 4.08Å; V56-F315 HydrophobicContact CG1-CE1 3.96Å; V56-F315 HydrophobicContact CG1-CZ 3.87Å; V56-F315 HydrophobicContact CG2-CD1 3.82Å; V56-F315 HydrophobicContact CG2-CD2 4.2Å; V56-F315 HydrophobicContact CG2-CE1 3.33Å; V56-F315 HydrophobicContact CG2-CE2 3.76Å; V56-F315 HydrophobicContact CG2-CG 4.24Å; V56-F315 HydrophobicContact CG2-CZ 3.3Å; V56-F354 HydrophobicContact CG1-CB 3.78Å; V56-I355 HydrophobicContact CG1-CG1 4.26Å; V56-I358 HydrophobicContact CB-CD1 3.7Å; V56-I358 HydrophobicContact CG1-CD1 4.1Å; V56-I358 HydrophobicContact CG2-CD1 3.24Å; V56-I358 HydrophobicContact CG2-CG1 4.49Å |
| 57 | V | 94.5 | Very high | 94.4 | Very high | 64 Ų | 64 | 26 Ų | 26 | 39% | 0.388 | 13% | 0.13 | S | C | . | . | H | α-helix | trans | -61.9 | -45.2 | 175.5 | 169.4 | 0 | 0 | 0 | 0 | 110.9 | L53 I54 C59 C60 L61 I355 | L53-V57 WeakPolarHBondContact O-CB 3.47Å; L53-V57 WeakPolarHBondContact O-CG2 3.19Å; L53-V57 PolarHBondContact O-N 3.46Å; I54-V57 PolarHBondContact O-N 2.82Å; V57-C59 PolarHBondContact O-N 3.06Å; V57-C60 PolarHBondContact O-N 2.97Å; V57-L61 HydrophobicContact CG1-CD1 3.94Å; V57-L61 HydrophobicContact CG1-CG 4.3Å; V57-L61 WeakPolarHBondContact O-CB 3.47Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 2.89Å; V57-I355 HydrophobicContact CG2-CD1 4.49Å |
| 58 | L | 94.1 | Very high | 94.5 | Very high | 43 Ų | 43 | 26.4 Ų | 26.4 | 23% | 0.225 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -60 | -46.9 | 177.3 | -72 | 172.2 | 0 | 0 | 0 | 111.8 | I54 I55 C60 L61 V62 F308 L312 L513 | I54-L58 HydrophobicContact CG2-CD1 3.74Å; I54-L58 HydrophobicContact CG2-CG 4.21Å; I54-L58 WeakPolarHBondContact O-CB 3.11Å; I54-L58 VanDerWaalsContact O-CG 3.29Å; I54-L58 WeakPolarHBondContact O-CG 3.15Å; I54-L58 PolarHBondContact O-N 3.04Å; I55-L58 PolarHBondContact O-N 3.26Å; L58-C60 PolarHBondContact O-N 3.2Å; L58-L61 PolarHBondContact O-N 3.18Å; L58-V62 PolarHBondContact O-N 2.96Å; L58-F308 HydrophobicContact CD1-CZ 4.35Å; L58-L312 HydrophobicContact CD1-CD1 4.37Å; L58-L513 HydrophobicContact CD2-CD1 4.12Å |
| 59 | C | 93.7 | Very high | 94.5 | Very high | 0 Ų | 0 | 26.4 Ų | 26.4 | 0% | 0 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -63.3 | -41 | 178.1 | -64.9 | 0 | 0 | 0 | 0 | 112 | I55 V56 V57 T63 F315 F316 V319 | I55-C59 PolarHBondContact O-N 2.68Å; I55-C59 PolarHBondContact O-SG 3.2Å; V56-C59 PolarHBondContact O-N 3.47Å; V57-C59 PolarHBondContact O-N 3.06Å; C59-T63 PolarHBondContact O-N 3.48Å; C59-T63 PolarHBondContact O-OG1 3.49Å; C59-F315 HydrophobicContact CB-CD1 4.13Å; C59-F315 HydrophobicContact CB-CE1 4.13Å; C59-F316 HydrophobicContact CB-CD2 4.08Å; C59-V319 HydrophobicContact CB-CG1 4.1Å; C59-V319 HydrophobicContact CB-CG2 3.78Å |
| 60 | C | 94.2 | Very high | 94.4 | Very high | 10 Ų | 10 | 25.7 Ų | 25.7 | 7% | 0.068 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -67.4 | -35.2 | 176.9 | -69.5 | 0 | 0 | 0 | 0 | 112.6 | V56 V57 L58 T63 F64 S351 | V56-C60 VanDerWaalsContact O-CB 3.29Å; V56-C60 WeakPolarHBondContact O-CB 3.38Å; V56-C60 PolarHBondContact O-N 3Å; V56-C60 PolarHBondContact O-SG 2.94Å; V57-C60 PolarHBondContact O-N 2.97Å; L58-C60 PolarHBondContact O-N 3.2Å; C60-T63 WeakPolarHBondContact CA-OG1 3.3Å; C60-T63 PolarHBondContact O-OG1 2.86Å; C60-F64 WeakPolarHBondContact O-CB 3.34Å; C60-F64 PolarHBondContact O-N 3.16Å; C60-S351 WeakPolarHBondContact CB-OG 3.4Å; C60-S351 PolarHBondContact SG-OG 3.47Å |
| 61 | L | 95 | Very high | 94.3 | Very high | 65 Ų | 65 | 21.4 Ų | 21.4 | 34% | 0.34 | 11% | 0.11 | S | C | . | . | H | α-helix | trans | -66.2 | -41.9 | 177.3 | -75.4 | 172.6 | 0 | 0 | 0 | 112.1 | V57 L58 T63 F64 F65 L513 | V57-L61 HydrophobicContact CG1-CD1 3.94Å; V57-L61 HydrophobicContact CG1-CG 4.3Å; V57-L61 WeakPolarHBondContact O-CB 3.47Å; V57-L61 VanDerWaalsContact O-CG 3.26Å; V57-L61 WeakPolarHBondContact O-CG 3.48Å; V57-L61 PolarHBondContact O-N 2.89Å; L58-L61 PolarHBondContact O-N 3.18Å; L61-T63 VanDerWaalsContact C-N 3.35Å; L61-T63 PolarHBondContact O-N 3.19Å; L61-F64 PolarHBondContact O-N 2.9Å; L61-F65 HydrophobicContact CB-CE2 4.2Å; L61-F65 HydrophobicContact CD2-CE2 4.34Å; L61-F65 HydrophobicContact CD2-CZ 4.33Å; L61-F65 WeakPolarHBondContact O-CD2 3.21Å; L61-F65 WeakPolarHBondContact O-CG 3.46Å; L61-F65 PolarHBondContact O-N 3.33Å; L61-L513 HydrophobicContact CB-CD2 3.84Å |
| 62 | V | 95 | Very high | 94.1 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -57 | -50 | 175.9 | 172.9 | 0 | 0 | 0 | 0 | 111.1 | L58 T66 F316 L474 Y477 L513 A514 I517 | L58-V62 PolarHBondContact O-N 2.96Å; V62-T66 WeakPolarHBondContact O-CB 3.28Å; V62-T66 PolarHBondContact O-N 3.4Å; V62-T66 PolarHBondContact O-OG1 3.37Å; V62-F316 HydrophobicContact CB-CE2 4.36Å; V62-F316 HydrophobicContact CG1-CE2 4.22Å; V62-F316 HydrophobicContact CG1-CZ 4.33Å; V62-L474 HydrophobicContact CG1-CD2 4.47Å; V62-Y477 HydrophobicContact CG1-CD2 4.42Å; V62-L513 HydrophobicContact CB-CD2 4.41Å; V62-L513 HydrophobicContact CG2-CB 3.96Å; V62-L513 HydrophobicContact CG2-CD2 3.38Å; V62-L513 HydrophobicContact CG2-CG 3.39Å; V62-A514 HydrophobicContact CG1-CB 4.01Å; V62-I517 HydrophobicContact CG2-CD1 3.7Å |
| 63 | T | 94.4 | Very high | 93.9 | Very high | 0 Ų | 0 | 19.1 Ų | 19.1 | 0% | 0 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -71.1 | -36 | -176.9 | 46.2 | 0 | 0 | 0 | 0 | 111.5 | C59 C60 L61 T66 S67 V319 Q347 Y477 | C59-T63 PolarHBondContact O-N 3.48Å; C59-T63 PolarHBondContact O-OG1 3.49Å; C60-T63 WeakPolarHBondContact CA-OG1 3.3Å; C60-T63 PolarHBondContact O-OG1 2.86Å; L61-T63 VanDerWaalsContact C-N 3.35Å; L61-T63 PolarHBondContact O-N 3.19Å; T63-T66 PolarHBondContact O-N 3.45Å; T63-S67 WeakPolarHBondContact O-CB 3.31Å; T63-S67 PolarHBondContact O-N 2.96Å; T63-V319 HydrophobicContact CG2-CB 4.1Å; T63-V319 HydrophobicContact CG2-CG2 3.75Å; T63-V319 WeakPolarHBondContact CG2-O 3.37Å; T63-Q347 PolarHBondContact OG1-NE2 3.09Å; T63-Y477 HydrophobicContact CG2-CE2 4.13Å |
| 64 | F | 95.2 | Very high | 93.6 | Very high | 63 Ų | 63 | 16.9 Ų | 16.9 | 28% | 0.276 | 9% | 0.088 | S | C | . | . | H | α-helix | trans | -61.9 | -51.4 | 172.7 | -177.8 | -103.9 | 0 | 0 | 0 | 112.6 | C60 L61 T66 S67 I68 I344 L348 | C60-F64 WeakPolarHBondContact O-CB 3.34Å; C60-F64 PolarHBondContact O-N 3.16Å; L61-F64 PolarHBondContact O-N 2.9Å; F64-T66 VanDerWaalsContact C-N 3.27Å; F64-T66 PolarHBondContact O-N 2.66Å; F64-S67 WeakPolarHBondContact O-CB 3.21Å; F64-S67 PolarHBondContact O-N 3.43Å; F64-S67 VanDerWaalsContact O-N 3.11Å; F64-S67 PolarHBondContact O-OG 3.06Å; F64-I68 HydrophobicContact CD1-CD1 4.17Å; F64-I68 HydrophobicContact CE1-CD1 3.68Å; F64-I68 HydrophobicContact CZ-CD1 4.04Å; F64-I68 PolarHBondContact O-N 3.3Å; F64-I68 VanDerWaalsContact O-N 3.17Å; F64-I344 HydrophobicContact CE2-CG2 4.37Å; F64-L348 HydrophobicContact CE2-CD2 4.23Å |
| 65 | F | 95.9 | Very high | 93.2 | Very high | 29 Ų | 29 | 14.6 Ų | 14.6 | 13% | 0.127 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -62.4 | -37.4 | 176.8 | -66.5 | -46.4 | 0 | 0 | 0 | 112.1 | L61 S67 I68 S69 L506 I509 | L61-F65 HydrophobicContact CB-CE2 4.2Å; L61-F65 HydrophobicContact CD2-CE2 4.34Å; L61-F65 HydrophobicContact CD2-CZ 4.33Å; L61-F65 WeakPolarHBondContact O-CD2 3.21Å; L61-F65 WeakPolarHBondContact O-CG 3.46Å; L61-F65 PolarHBondContact O-N 3.33Å; F65-S67 VanDerWaalsContact C-N 3.32Å; F65-S67 PolarHBondContact O-N 3.22Å; F65-I68 PolarHBondContact O-N 3.39Å; F65-S69 PolarHBondContact O-N 3.01Å; F65-S69 VanDerWaalsContact O-N 3.09Å; F65-S69 PolarHBondContact O-OG 2.88Å; F65-L506 HydrophobicContact CD1-CB 4.34Å; F65-L506 HydrophobicContact CD1-CD2 4.41Å; F65-L506 HydrophobicContact CE1-CD2 3.98Å; F65-I509 HydrophobicContact CD2-CG2 4.12Å; F65-I509 HydrophobicContact CE2-CG2 3.64Å; F65-I509 HydrophobicContact CZ-CG2 4.15Å |
| 66 | T | 94.7 | Very high | 92.9 | Very high | 1 Ų | 1 | 15 Ų | 15 | 1% | 0.006 | 8% | 0.079 | C | C | . | . | H | α-helix | trans | -66.6 | -34.5 | 175.7 | -52 | 0 | 0 | 0 | 0 | 111.9 | V62 T63 F64 I68 S69 L70 I322 Y477 I480 N481 | V62-T66 WeakPolarHBondContact O-CB 3.28Å; V62-T66 PolarHBondContact O-N 3.4Å; V62-T66 PolarHBondContact O-OG1 3.37Å; T63-T66 PolarHBondContact O-N 3.45Å; F64-T66 VanDerWaalsContact C-N 3.27Å; F64-T66 PolarHBondContact O-N 2.66Å; T66-I68 VanDerWaalsContact C-N 3.33Å; T66-I68 PolarHBondContact O-N 3.3Å; T66-S69 WeakPolarHBondContact O-CB 3.29Å; T66-S69 PolarHBondContact O-N 3.16Å; T66-L70 WeakPolarHBondContact O-CB 3.34Å; T66-L70 PolarHBondContact O-N 3.12Å; T66-I322 HydrophobicContact CG2-CD1 3.86Å; T66-Y477 HydrophobicContact CG2-CD1 3.71Å; T66-Y477 HydrophobicContact CG2-CG 3.95Å; T66-I480 HydrophobicContact CG2-CG2 4.33Å; T66-N481 PolarHBondContact OG1-ND2 3.17Å |
| 67 | S | 94 | Very high | 92 | Very high | 2 Ų | 2 | 16.9 Ų | 16.9 | 1% | 0.014 | 10% | 0.099 | C | C | . | . | H | α-helix | trans | -64.9 | -34.5 | 174.1 | 80 | 0 | 0 | 0 | 0 | 112.8 | T63 F64 F65 L70 A71 | T63-S67 WeakPolarHBondContact O-CB 3.31Å; T63-S67 PolarHBondContact O-N 2.96Å; F64-S67 WeakPolarHBondContact O-CB 3.21Å; F64-S67 PolarHBondContact O-N 3.43Å; F64-S67 VanDerWaalsContact O-N 3.11Å; F64-S67 PolarHBondContact O-OG 3.06Å; F65-S67 VanDerWaalsContact C-N 3.32Å; F65-S67 PolarHBondContact O-N 3.22Å; S67-L70 PolarHBondContact O-N 2.9Å; S67-A71 WeakPolarHBondContact O-CB 3.41Å; S67-A71 PolarHBondContact O-N 2.99Å |
| 68 | I | 94.8 | Very high | 91 | Very high | 10 Ų | 10 | 21 Ų | 21 | 5% | 0.051 | 12% | 0.117 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 173.8 | -65.2 | 172 | 0 | 0 | 0 | 110.4 | F64 F65 T66 L70 A71 A72 F499 Y502 L506 | F64-I68 HydrophobicContact CD1-CD1 4.17Å; F64-I68 HydrophobicContact CE1-CD1 3.68Å; F64-I68 HydrophobicContact CZ-CD1 4.04Å; F64-I68 PolarHBondContact O-N 3.3Å; F64-I68 VanDerWaalsContact O-N 3.17Å; F65-I68 PolarHBondContact O-N 3.39Å; T66-I68 VanDerWaalsContact C-N 3.33Å; T66-I68 PolarHBondContact O-N 3.3Å; I68-L70 VanDerWaalsContact C-N 3.32Å; I68-L70 PolarHBondContact O-N 3.19Å; I68-A71 WeakPolarHBondContact O-CB 3.35Å; I68-A71 PolarHBondContact O-N 2.69Å; I68-A72 PolarHBondContact O-N 3.39Å; I68-F499 HydrophobicContact CG2-CD1 4.43Å; I68-F499 HydrophobicContact CG2-CE1 4.22Å; I68-Y502 HydrophobicContact CG2-CD2 4.34Å; I68-L506 HydrophobicContact CD1-CD1 4.41Å |
| 69 | S | 93.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -60.2 | -43 | 173.7 | -61.8 | 0 | 0 | 0 | 0 | 111.5 | F65 T66 A71 A72 I73 N481 S507 | F65-S69 PolarHBondContact O-N 3.01Å; F65-S69 VanDerWaalsContact O-N 3.09Å; F65-S69 PolarHBondContact O-OG 2.88Å; T66-S69 WeakPolarHBondContact O-CB 3.29Å; T66-S69 PolarHBondContact O-N 3.16Å; S69-A71 PolarHBondContact O-N 3.01Å; S69-A72 WeakPolarHBondContact O-CB 3.47Å; S69-A72 PolarHBondContact O-N 3.46Å; S69-I73 WeakPolarHBondContact O-CG1 3.24Å; S69-I73 PolarHBondContact O-N 3.28Å; S69-N481 VanDerWaalsContact CB-OD1 3.26Å; S69-N481 WeakPolarHBondContact CB-OD1 3.33Å; S69-N481 PolarHBondContact OG-OD1 2.86Å; S69-S507 WeakPolarHBondContact OG-CB 3.38Å; S69-S507 PolarHBondContact OG-OG 2.83Å |
| 70 | L | 90.9 | Very high | 88 | Confident | 4 Ų | 4 | 25 Ų | 25 | 2% | 0.021 | 14% | 0.135 | C | C | . | . | H | α-helix | trans | -63.9 | -39.7 | 176.3 | -173.1 | 64.1 | 0 | 0 | 0 | 112 | T66 S67 I68 A72 I73 A74 M323 | T66-L70 WeakPolarHBondContact O-CB 3.34Å; T66-L70 PolarHBondContact O-N 3.12Å; S67-L70 PolarHBondContact O-N 2.9Å; I68-L70 VanDerWaalsContact C-N 3.32Å; I68-L70 PolarHBondContact O-N 3.19Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 3.28Å; L70-I73 PolarHBondContact O-N 2.98Å; L70-A74 WeakPolarHBondContact O-CB 3.41Å; L70-A74 PolarHBondContact O-N 2.99Å; L70-M323 HydrophobicContact CD2-CG 4.01Å |
| 71 | A | 91.2 | Very high | 86.4 | Confident | 1 Ų | 1 | 30.3 Ų | 30.3 | 1% | 0.008 | 16% | 0.158 | C | C | . | . | H | α-helix | trans | -63.1 | -37.6 | 173.5 | 0 | 0 | 0 | 0 | 0 | 112.5 | S67 I68 S69 A74 T75 P340 F499 | S67-A71 WeakPolarHBondContact O-CB 3.41Å; S67-A71 PolarHBondContact O-N 2.99Å; I68-A71 WeakPolarHBondContact O-CB 3.35Å; I68-A71 PolarHBondContact O-N 2.69Å; S69-A71 PolarHBondContact O-N 3.01Å; A71-A74 PolarHBondContact O-N 3.26Å; A71-T75 WeakPolarHBondContact O-CG2 3.41Å; A71-T75 PolarHBondContact O-N 2.98Å; A71-T75 VanDerWaalsContact O-N 3.07Å; A71-T75 PolarHBondContact O-OG1 2.91Å; A71-P340 HydrophobicContact CB-CB 3.69Å; A71-P340 HydrophobicContact CB-CG 3.88Å; A71-F499 HydrophobicContact CB-CD1 4.02Å; A71-F499 HydrophobicContact CB-CD2 4.22Å; A71-F499 HydrophobicContact CB-CE1 4.04Å; A71-F499 HydrophobicContact CB-CE2 4.26Å; A71-F499 HydrophobicContact CB-CG 4.1Å; A71-F499 HydrophobicContact CB-CZ 4.18Å |
| 72 | A | 92.4 | Very high | 84.8 | Confident | 0 Ų | 0 | 28.5 Ų | 28.5 | 0% | 0 | 16% | 0.155 | C | C | . | . | H | α-helix | trans | -64.6 | -42.5 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | I68 S69 L70 T75 N76 W495 P497 Y502 | I68-A72 PolarHBondContact O-N 3.39Å; S69-A72 WeakPolarHBondContact O-CB 3.47Å; S69-A72 PolarHBondContact O-N 3.46Å; L70-A72 VanDerWaalsContact C-N 3.32Å; L70-A72 PolarHBondContact O-N 3.28Å; A72-T75 PolarHBondContact O-N 3.4Å; A72-T75 PolarHBondContact O-OG1 3Å; A72-N76 PolarHBondContact O-N 3.36Å; A72-W495 HydrophobicContact CB-CZ2 4.47Å; A72-P497 HydrophobicContact CB-CB 3.92Å; A72-Y502 HydrophobicContact CB-CD1 4.21Å; A72-Y502 HydrophobicContact CB-CD2 3.31Å; A72-Y502 HydrophobicContact CB-CE2 3.69Å; A72-Y502 HydrophobicContact CB-CG 3.6Å |
| 73 | I | 90.2 | Very high | 83.6 | Confident | 0 Ų | 0 | 28.9 Ų | 28.9 | 0% | 0 | 16% | 0.159 | C | C | . | . | H | α-helix | trans | -63 | -47.1 | 174.4 | -61.7 | 163.8 | 0 | 0 | 0 | 110.5 | S69 L70 T75 N76 V87 N91 L92 I480 W495 | S69-I73 WeakPolarHBondContact O-CG1 3.24Å; S69-I73 PolarHBondContact O-N 3.28Å; L70-I73 PolarHBondContact O-N 2.98Å; I73-T75 PolarHBondContact O-N 3.23Å; I73-N76 WeakPolarHBondContact O-CB 3.26Å; I73-N76 PolarHBondContact O-N 3.48Å; I73-N76 VanDerWaalsContact O-N 3.11Å; I73-V87 HydrophobicContact CG2-CG1 3.95Å; I73-N91 HydrophobicContact CG2-CB 4.04Å; I73-N91 PolarHBondContact O-ND2 3Å; I73-L92 HydrophobicContact CD1-CD1 3.74Å; I73-L92 HydrophobicContact CD1-CG 4.48Å; I73-L92 HydrophobicContact CG1-CD1 4.29Å; I73-L92 HydrophobicContact CG1-CD2 4.43Å; I73-I480 HydrophobicContact CD1-CG2 3.92Å; I73-W495 HydrophobicContact CG1-CH2 3.86Å; I73-W495 HydrophobicContact CG1-CZ3 4.2Å |
| 74 | A | 87.6 | Confident | 82.3 | Confident | 1 Ų | 1 | 29.2 Ų | 29.2 | 1% | 0.008 | 16% | 0.161 | C | C | . | . | H | α-helix | trans | -64.9 | -24.2 | -178.2 | 0 | 0 | 0 | 0 | 0 | 113.5 | L70 A71 F79 I339 | L70-A74 WeakPolarHBondContact O-CB 3.41Å; L70-A74 PolarHBondContact O-N 2.99Å; A71-A74 PolarHBondContact O-N 3.26Å; A74-F79 HydrophobicContact CB-CE2 4Å; A74-I339 HydrophobicContact CB-CB 4.25Å; A74-I339 HydrophobicContact CB-CG2 3.97Å |
| 75 | T | 88.3 | Confident | 81.6 | Confident | 14 Ų | 14 | 26.4 Ų | 26.4 | 9% | 0.086 | 15% | 0.149 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -95.5 | -2.8 | 177.3 | 57.2 | 0 | 0 | 0 | 0 | 113.7 | A71 A72 I73 P340 F499 | A71-T75 WeakPolarHBondContact O-CG2 3.41Å; A71-T75 PolarHBondContact O-N 2.98Å; A71-T75 VanDerWaalsContact O-N 3.07Å; A71-T75 PolarHBondContact O-OG1 2.91Å; A72-T75 PolarHBondContact O-N 3.4Å; A72-T75 PolarHBondContact O-OG1 3Å; I73-T75 PolarHBondContact O-N 3.23Å; T75-P340 HydrophobicContact CG2-CG 4.09Å; T75-F499 HydrophobicContact CG2-CB 4.29Å; T75-F499 PolarHBondContact OG1-N 3.18Å |
| 76 | N | 86.2 | Confident | 80.7 | Confident | 7 Ų | 7 | 26.6 Ų | 26.6 | 4% | 0.037 | 15% | 0.15 | C | C | . | . | S | Bend | trans | -85.3 | 124.9 | 173.2 | -165.3 | 49.5 | 0 | 0 | 0 | 110.2 | A72 I73 N91 N494 W495 R496 | A72-N76 PolarHBondContact O-N 3.36Å; I73-N76 WeakPolarHBondContact O-CB 3.26Å; I73-N76 PolarHBondContact O-N 3.48Å; I73-N76 VanDerWaalsContact O-N 3.11Å; N76-N91 PolarHBondContact ND2-OD1 3.23Å; N76-N91 PolarHBondContact O-ND2 3.18Å; N76-N91 PolarHBondContact O-OD1 3Å; N76-N494 PolarHBondContact ND2-O 3.28Å; N76-N494 VanDerWaalsContact ND2-O 3.16Å; N76-N494 PolarHBondContact OD1-O 3.4Å; N76-W495 HydrophobicContact CB-CE3 4.29Å; N76-W495 HydrophobicContact CB-CZ3 4.2Å; N76-R496 PolarHBondContact OD1-N 2.76Å |
| 77 | G | 76.7 | Confident | 79.7 | Confident | 41 Ų | 41 | 27 Ų | 27 | 42% | 0.423 | 15% | 0.152 | S | C | . | . | S | Bend | trans | 74.2 | -167.2 | 177.7 | 0 | 0 | 0 | 0 | 0 | 115.4 | Q336 | G77-Q336 PolarHBondContact O-NE2 3.45Š|
| 78 | I | 73.1 | Confident | 79 | Confident | 151 Ų | 151 | 27.1 Ų | 27.1 | 77% | 0.774 | 15% | 0.152 | S | C | * | . | trans | -91.6 | 133.4 | 171.5 | -63.1 | 170.8 | 0 | 0 | 0 | 107.4 | E80 | I78-E80 PolarHBondContact O-N 3.02Š| ||
| 79 | F | 65.1 | Low | 78.3 | Confident | 30 Ų | 30 | 26.9 Ų | 26.9 | 13% | 0.132 | 15% | 0.152 | C | C | . | . | trans | -82.2 | 111.3 | -177.8 | -150.2 | -73.2 | 0 | 0 | 0 | 109.1 | A74 V87 P335 Q336 I339 | A74-F79 HydrophobicContact CB-CE2 4Å; F79-V87 HydrophobicContact CD1-CG2 4.28Å; F79-V87 HydrophobicContact CE1-CG2 3.34Å; F79-V87 HydrophobicContact CE2-CB 4.41Å; F79-V87 HydrophobicContact CE2-CG1 3.77Å; F79-V87 HydrophobicContact CE2-CG2 3.7Å; F79-V87 HydrophobicContact CZ-CB 4.13Å; F79-V87 HydrophobicContact CZ-CG1 3.94Å; F79-V87 HydrophobicContact CZ-CG2 3.03Å; F79-P335 HydrophobicContact CB-CB 4.25Å; F79-P335 HydrophobicContact CB-CG 3.51Å; F79-P335 HydrophobicContact CD1-CB 3.54Å; F79-P335 HydrophobicContact CD1-CG 3.46Å; F79-P335 VanDerWaalsContact CD1-CG 3.46Å; F79-P335 HydrophobicContact CD2-CB 3.93Å; F79-P335 HydrophobicContact CD2-CG 4.14Å; F79-P335 HydrophobicContact CE1-CB 3.72Å; F79-P335 HydrophobicContact CE1-CG 4.16Å; F79-P335 HydrophobicContact CE2-CB 4.07Å; F79-P335 HydrophobicContact CG-CB 3.62Å; F79-P335 HydrophobicContact CG-CG 3.42Å; F79-P335 VanDerWaalsContact CG-CG 3.42Å; F79-P335 HydrophobicContact CZ-CB 3.91Å; F79-Q336 HydrophobicContact CB-CG 4.02Å; F79-Q336 HydrophobicContact CD2-CG 4.37Å; F79-I339 HydrophobicContact CE1-CD1 4.16Å; F79-I339 HydrophobicContact CE2-CD1 3.42Å; F79-I339 VanDerWaalsContact CE2-CD1 3.42Å; F79-I339 HydrophobicContact CZ-CD1 3.16Å | ||
| 80 | E | 59.6 | Low | 77.5 | Confident | 97 Ų | 97 | 33.4 Ų | 33.4 | 45% | 0.453 | 18% | 0.176 | S | C | . | . | trans | -97.4 | 147.3 | 175.6 | -74.3 | -170.1 | -141.9 | 0 | 0 | 111.3 | I78 G82 R90 | I78-E80 PolarHBondContact O-N 3.02Å; E80-G82 PolarHBondContact O-N 3.47Å; E80-R90 IonicContact OE1-CZ 4Å; E80-R90 IonicContact OE1-NH1 2.69Å; E80-R90 PolarHBondContact OE1-NH1 3.32Å; E80-R90 IonicContact OE2-CZ 3.27Å; E80-R90 IonicContact OE2-NH1 3.28Å; E80-R90 PolarHBondContact OE2-NH1 3.19Å; E80-R90 IonicContact OE2-NH2 2.92Å; E80-R90 PolarHBondContact OE2-NH2 2.73Å | ||
| 81 | E | 59.8 | Low | 76.8 | Confident | 121 Ų | 121 | 34.7 Ų | 34.7 | 57% | 0.565 | 18% | 0.183 | S | C | * | . | S | Bend | trans | -59.9 | 126.1 | -179.4 | -63.2 | 169.9 | -164.4 | 0 | 0 | 110.6 | K14 | K14-E81 WeakPolarHBondContact CE-OE1 3.4Å; K14-E81 IonicContact NZ-OE1 2.68Å; K14-E81 PolarHBondContact NZ-OE1 2.78Å |
| 82 | G | 62 | Low | 76 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 27% | 0.268 | 18% | 0.184 | S | C | . | . | S | Bend | trans | 171.6 | -6.8 | 178.8 | 0 | 0 | 0 | 0 | 0 | 117.8 | E80 F86 | E80-G82 PolarHBondContact O-N 3.47Å; G82-F86 VanDerWaalsContact CA-CD2 3.41Å; G82-F86 VanDerWaalsContact O-CD2 3.3Å; G82-F86 WeakPolarHBondContact O-CD2 3.29Å |
| 83 | G | 69 | Low | 75.3 | Confident | 8 Ų | 8 | 36.2 Ų | 36.2 | 8% | 0.082 | 19% | 0.193 | C | C | . | . | trans | 82.2 | -177.7 | -174.8 | 0 | 0 | 0 | 0 | 0 | 112.4 | Y85 F86 V87 C326 S329 | G83-Y85 VanDerWaalsContact C-N 3.28Å; G83-Y85 PolarHBondContact O-N 3.38Å; G83-F86 PolarHBondContact O-N 3.37Å; G83-V87 VanDerWaalsContact O-CG2 3.3Å; G83-V87 WeakPolarHBondContact O-CG2 3.39Å; G83-V87 PolarHBondContact O-N 3.14Å; G83-C326 WeakPolarHBondContact CA-O 3.46Å; G83-S329 WeakPolarHBondContact CA-OG 3.28Å; G83-S329 PolarHBondContact N-OG 2.96Å | ||
| 84 | P | 68.5 | Low | 74.7 | Confident | 7 Ų | 7 | 39.4 Ų | 39.4 | 5% | 0.045 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -64.2 | -32.7 | -168.3 | 30.4 | -41.7 | 0 | 0 | 0 | 112.6 | F86 V87 I88 C326 N327 L417 | P84-F86 PolarHBondContact O-N 2.86Å; P84-V87 WeakPolarHBondContact O-CB 3.45Å; P84-V87 PolarHBondContact O-N 2.84Å; P84-I88 WeakPolarHBondContact O-CB 3.17Å; P84-I88 WeakPolarHBondContact O-CG1 3.34Å; P84-I88 PolarHBondContact O-N 3.03Å; P84-C326 HydrophobicContact CB-CB 3.76Å; P84-C326 WeakPolarHBondContact CD-O 3.29Å; P84-N327 WeakPolarHBondContact CD-OD1 3.43Å; P84-N327 WeakPolarHBondContact CG-OD1 3.45Å; P84-L417 HydrophobicContact CG-CD2 3.31Å |
| 85 | Y | 80.1 | Confident | 74.5 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 2% | 0.02 | 22% | 0.224 | C | C | . | . | H | α-helix | trans | -60 | -48 | 179.5 | 169.2 | -102.3 | 0 | 0 | 0 | 110.9 | G83 V87 I88 A89 G97 P420 V421 D424 L426 | G83-Y85 VanDerWaalsContact C-N 3.28Å; G83-Y85 PolarHBondContact O-N 3.38Å; Y85-V87 VanDerWaalsContact C-N 3.31Å; Y85-V87 PolarHBondContact O-N 3.49Å; Y85-I88 PolarHBondContact O-N 3.25Å; Y85-A89 HydrophobicContact CD2-CB 4.46Å; Y85-A89 HydrophobicContact CE1-CB 4.28Å; Y85-A89 HydrophobicContact CE2-CB 4.05Å; Y85-A89 WeakPolarHBondContact O-CB 3.37Å; Y85-A89 PolarHBondContact O-N 2.92Å; Y85-G97 WeakPolarHBondContact CD2-O 3.49Å; Y85-G97 VanDerWaalsContact CE2-C 3.44Å; Y85-G97 VanDerWaalsContact CE2-O 3.28Å; Y85-G97 WeakPolarHBondContact CE2-O 3.39Å; Y85-P420 HydrophobicContact CD1-CB 3.38Å; Y85-P420 HydrophobicContact CE1-CB 3.97Å; Y85-P420 HydrophobicContact CG-CB 4.15Å; Y85-V421 HydrophobicContact CD1-CG2 4.35Å; Y85-V421 HydrophobicContact CD2-CG2 3.39Å; Y85-V421 HydrophobicContact CE1-CG2 4.34Å; Y85-V421 HydrophobicContact CE2-CB 4.25Å; Y85-V421 HydrophobicContact CE2-CG2 3.42Å; Y85-V421 VanDerWaalsContact CE2-CG2 3.42Å; Y85-V421 HydrophobicContact CG-CG2 3.86Å; Y85-D424 WeakPolarHBondContact CE1-OD2 3.3Å; Y85-D424 PolarHBondContact OH-OD2 3.05Å; Y85-D424 VanDerWaalsContact OH-OD2 3.08Å; Y85-L426 WeakPolarHBondContact OH-CD1 3.34Å |
| 86 | F | 76.2 | Confident | 74.3 | Confident | 33 Ų | 33 | 42.5 Ų | 42.5 | 15% | 0.145 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -65.8 | -36.2 | 179.8 | -86.8 | -72.8 | 0 | 0 | 0 | 112.3 | G82 G83 P84 I88 R90 P420 | G82-F86 VanDerWaalsContact CA-CD2 3.41Å; G82-F86 VanDerWaalsContact O-CD2 3.3Å; G82-F86 WeakPolarHBondContact O-CD2 3.29Å; G83-F86 PolarHBondContact O-N 3.37Å; P84-F86 PolarHBondContact O-N 2.86Å; F86-I88 VanDerWaalsContact C-N 3.34Å; F86-R90 WeakPolarHBondContact O-CB 3.46Å; F86-R90 WeakPolarHBondContact O-CG 3.27Å; F86-R90 PolarHBondContact O-N 3.13Å; F86-R90 VanDerWaalsContact O-N 3.08Å; F86-P420 HydrophobicContact CD2-CB 3.98Å; F86-P420 HydrophobicContact CD2-CG 4.42Å; F86-P420 HydrophobicContact CE2-CB 3.58Å; F86-P420 HydrophobicContact CE2-CG 4.11Å; F86-P420 HydrophobicContact CZ-CB 4.33Å |
| 87 | V | 74.6 | Confident | 74.2 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.048 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -62.8 | -42.7 | 177.1 | 178 | 0 | 0 | 0 | 0 | 111.2 | I73 F79 G83 P84 Y85 N91 | I73-V87 HydrophobicContact CG2-CG1 3.95Å; F79-V87 HydrophobicContact CD1-CG2 4.28Å; F79-V87 HydrophobicContact CE1-CG2 3.34Å; F79-V87 HydrophobicContact CE2-CB 4.41Å; F79-V87 HydrophobicContact CE2-CG1 3.77Å; F79-V87 HydrophobicContact CE2-CG2 3.7Å; F79-V87 HydrophobicContact CZ-CB 4.13Å; F79-V87 HydrophobicContact CZ-CG1 3.94Å; F79-V87 HydrophobicContact CZ-CG2 3.03Å; G83-V87 VanDerWaalsContact O-CG2 3.3Å; G83-V87 WeakPolarHBondContact O-CG2 3.39Å; G83-V87 PolarHBondContact O-N 3.14Å; P84-V87 WeakPolarHBondContact O-CB 3.45Å; P84-V87 PolarHBondContact O-N 2.84Å; Y85-V87 VanDerWaalsContact C-N 3.31Å; Y85-V87 PolarHBondContact O-N 3.49Å; V87-N91 WeakPolarHBondContact O-CB 3.41Å; V87-N91 PolarHBondContact O-ND2 3.41Å |
| 88 | I | 78.6 | Confident | 74.7 | Confident | 5 Ų | 5 | 40.2 Ų | 40.2 | 3% | 0.026 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -75.8 | -50 | 179.7 | -66.4 | 171.4 | 0 | 0 | 0 | 109.9 | P84 Y85 F86 R90 N91 L92 I100 | P84-I88 WeakPolarHBondContact O-CB 3.17Å; P84-I88 WeakPolarHBondContact O-CG1 3.34Å; P84-I88 PolarHBondContact O-N 3.03Å; Y85-I88 PolarHBondContact O-N 3.25Å; F86-I88 VanDerWaalsContact C-N 3.34Å; I88-R90 PolarHBondContact O-N 3.01Å; I88-N91 PolarHBondContact O-N 3.29Å; I88-L92 HydrophobicContact CG2-CD1 3.74Å; I88-L92 VanDerWaalsContact O-CB 3.3Å; I88-L92 WeakPolarHBondContact O-CB 2.97Å; I88-L92 PolarHBondContact O-N 2.88Å; I88-I100 HydrophobicContact CD1-CG2 3.93Å; I88-I100 HydrophobicContact CG2-CB 4.26Å; I88-I100 HydrophobicContact CG2-CD1 3.66Å; I88-I100 HydrophobicContact CG2-CG2 4.29Å |
| 89 | A | 79.8 | Confident | 75.4 | Confident | 5 Ų | 5 | 33 Ų | 33 | 4% | 0.041 | 17% | 0.168 | C | C | . | . | H | α-helix | trans | -63.5 | -39.7 | -174.2 | 0 | 0 | 0 | 0 | 0 | 113.3 | Y85 S93 | Y85-A89 HydrophobicContact CD2-CB 4.46Å; Y85-A89 HydrophobicContact CE1-CB 4.28Å; Y85-A89 HydrophobicContact CE2-CB 4.05Å; Y85-A89 WeakPolarHBondContact O-CB 3.37Å; Y85-A89 PolarHBondContact O-N 2.92Å; A89-S93 CarbonylContact O-C 3.54Å; A89-S93 VanDerWaalsContact O-CA 3.32Å; A89-S93 WeakPolarHBondContact O-CA 3.47Å; A89-S93 PolarHBondContact O-N 2.97Å |
| 90 | R | 76.7 | Confident | 76.5 | Confident | 137 Ų | 137 | 31.7 Ų | 31.7 | 52% | 0.517 | 16% | 0.163 | S | C | . | . | H | α-helix | trans | -75 | -32.7 | -179.6 | -72.6 | 178 | 169.4 | -137.5 | 18.4 | 113.3 | E80 F86 I88 | E80-R90 IonicContact OE1-CZ 4Å; E80-R90 IonicContact OE1-NH1 2.69Å; E80-R90 PolarHBondContact OE1-NH1 3.32Å; E80-R90 IonicContact OE2-CZ 3.27Å; E80-R90 IonicContact OE2-NH1 3.28Å; E80-R90 PolarHBondContact OE2-NH1 3.19Å; E80-R90 IonicContact OE2-NH2 2.92Å; E80-R90 PolarHBondContact OE2-NH2 2.73Å; F86-R90 WeakPolarHBondContact O-CB 3.46Å; F86-R90 WeakPolarHBondContact O-CG 3.27Å; F86-R90 PolarHBondContact O-N 3.13Å; F86-R90 VanDerWaalsContact O-N 3.08Å; I88-R90 PolarHBondContact O-N 3.01Å |
| 91 | N | 76.3 | Confident | 77.9 | Confident | 31 Ų | 31 | 27.3 Ų | 27.3 | 17% | 0.166 | 14% | 0.143 | C | C | . | . | H | α-helix | trans | -88.9 | -35.9 | -177.3 | -74.5 | -32.6 | 0 | 0 | 0 | 113 | I73 N76 V87 I88 Q487 | I73-N91 HydrophobicContact CG2-CB 4.04Å; I73-N91 PolarHBondContact O-ND2 3Å; N76-N91 PolarHBondContact ND2-OD1 3.23Å; N76-N91 PolarHBondContact O-ND2 3.18Å; N76-N91 PolarHBondContact O-OD1 3Å; V87-N91 WeakPolarHBondContact O-CB 3.41Å; V87-N91 PolarHBondContact O-ND2 3.41Å; I88-N91 PolarHBondContact O-N 3.29Å; N91-Q487 PolarHBondContact O-NE2 3.45Å |
| 92 | L | 74.2 | Confident | 79.3 | Confident | 4 Ų | 4 | 22.4 Ų | 22.4 | 2% | 0.021 | 12% | 0.122 | C | C | . | . | H | α-helix | trans | -96 | -30.9 | -174.2 | -65.9 | 168.3 | 0 | 0 | 0 | 113.6 | I73 I88 F96 I100 V483 Q487 W495 | I73-L92 HydrophobicContact CD1-CD1 3.74Å; I73-L92 HydrophobicContact CD1-CG 4.48Å; I73-L92 HydrophobicContact CG1-CD1 4.29Å; I73-L92 HydrophobicContact CG1-CD2 4.43Å; I88-L92 HydrophobicContact CG2-CD1 3.74Å; I88-L92 VanDerWaalsContact O-CB 3.3Å; I88-L92 WeakPolarHBondContact O-CB 2.97Å; I88-L92 PolarHBondContact O-N 2.88Å; L92-F96 HydrophobicContact CB-CB 4.09Å; L92-F96 WeakPolarHBondContact O-CD2 3.34Å; L92-I100 HydrophobicContact CD1-CD1 4.43Å; L92-V483 HydrophobicContact CB-CG1 3.96Å; L92-V483 HydrophobicContact CD1-CG1 4.35Å; L92-V483 HydrophobicContact CD2-CB 4.05Å; L92-V483 HydrophobicContact CD2-CG1 3.42Å; L92-V483 VanDerWaalsContact CD2-CG1 3.42Å; L92-V483 HydrophobicContact CG-CG1 4.08Å; L92-Q487 PolarHBondContact O-NE2 2.89Å; L92-W495 HydrophobicContact CD2-CH2 4.3Å; L92-W495 HydrophobicContact CD2-CZ3 3.96Å |
| 93 | S | 78 | Confident | 80.7 | Confident | 29 Ų | 29 | 21.2 Ų | 21.2 | 20% | 0.203 | 11% | 0.109 | C | C | . | . | trans | 128.8 | 150.2 | -177 | 80.5 | 0 | 0 | 0 | 0 | 108.1 | A89 E95 F96 G97 | A89-S93 CarbonylContact O-C 3.54Å; A89-S93 VanDerWaalsContact O-CA 3.32Å; A89-S93 WeakPolarHBondContact O-CA 3.47Å; A89-S93 PolarHBondContact O-N 2.97Å; S93-E95 PolarHBondContact O-N 3.04Å; S93-E95 PolarHBondContact OG-N 3.48Å; S93-F96 PolarHBondContact O-N 3.15Å; S93-F96 WeakPolarHBondContact OG-CD2 3.35Å; S93-F96 PolarHBondContact OG-N 3.39Å; S93-G97 PolarHBondContact O-N 2.94Å | ||
| 94 | P | 78.9 | Confident | 81.7 | Confident | 67 Ų | 67 | 21 Ų | 21 | 44% | 0.435 | 11% | 0.106 | S | C | . | . | H | α-helix | trans | -60.7 | -27.6 | 177.7 | 23.1 | -33.9 | 0 | 0 | 0 | 112.7 | G98 L426 | P94-G98 PolarHBondContact O-N 2.97Å; P94-L426 HydrophobicContact CB-CD1 4.34Å; P94-L426 HydrophobicContact CB-CD2 4.03Å; P94-L426 VanDerWaalsContact O-CD1 3.22Å; P94-L426 WeakPolarHBondContact O-CD1 3.42Å |
| 95 | E | 83.2 | Confident | 82.8 | Confident | 47 Ų | 47 | 21 Ų | 21 | 22% | 0.22 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -68.6 | -46.4 | 179.2 | -58.9 | 165.9 | 179.5 | 0 | 0 | 112.1 | S93 A99 I540 E541 | S93-E95 PolarHBondContact O-N 3.04Å; S93-E95 PolarHBondContact OG-N 3.48Å; E95-A99 PolarHBondContact O-N 3.02Å; E95-I540 HydrophobicContact CB-CG2 4.36Å; E95-I540 HydrophobicContact CG-CG2 4.35Å; E95-E541 HydrophobicContact CG-CB 4.4Å |
| 96 | F | 84 | Confident | 83.4 | Confident | 34 Ų | 34 | 22.1 Ų | 22.1 | 15% | 0.149 | 11% | 0.111 | C | C | . | . | H | α-helix | trans | -69.2 | -44.6 | 175.2 | -69.2 | -59.8 | 0 | 0 | 0 | 110.8 | L92 S93 G98 A99 I100 F479 V483 H537 | L92-F96 HydrophobicContact CB-CB 4.09Å; L92-F96 WeakPolarHBondContact O-CD2 3.34Å; S93-F96 PolarHBondContact O-N 3.15Å; S93-F96 WeakPolarHBondContact OG-CD2 3.35Å; S93-F96 PolarHBondContact OG-N 3.39Å; F96-G98 VanDerWaalsContact C-N 3.34Å; F96-G98 PolarHBondContact O-N 3.29Å; F96-A99 PolarHBondContact O-N 3.02Å; F96-I100 WeakPolarHBondContact O-CB 3.36Å; F96-I100 VanDerWaalsContact O-CG1 3.26Å; F96-I100 WeakPolarHBondContact O-CG1 3.19Å; F96-I100 PolarHBondContact O-N 3.04Å; F96-F479 AromaticContact CD1-CE1 3.79Å; F96-F479 HydrophobicContact CD1-CE1 3.79Å; F96-F479 AromaticContact CD1-CE2 3.96Å; F96-F479 HydrophobicContact CD1-CE2 3.96Å; F96-F479 AromaticContact CD1-CZ 3.33Å; F96-F479 HydrophobicContact CD1-CZ 3.33Å; F96-F479 AromaticContact CE1-CE2 3.93Å; F96-F479 HydrophobicContact CE1-CE2 3.93Å; F96-F479 AromaticContact CE1-CZ 3.62Å; F96-F479 HydrophobicContact CE1-CZ 3.62Å; F96-V483 HydrophobicContact CB-CG2 4.37Å; F96-V483 HydrophobicContact CD1-CG1 4.38Å; F96-V483 HydrophobicContact CD1-CG2 3.43Å; F96-V483 VanDerWaalsContact CD1-CG2 3.43Å; F96-V483 HydrophobicContact CD2-CG1 3.8Å; F96-V483 HydrophobicContact CD2-CG2 4.31Å; F96-V483 HydrophobicContact CE1-CG2 3.71Å; F96-V483 HydrophobicContact CE2-CG1 4.09Å; F96-V483 HydrophobicContact CG-CG1 3.99Å; F96-V483 HydrophobicContact CG-CG2 3.79Å; F96-V483 HydrophobicContact CZ-CG2 4.29Å; F96-H537 AromaticContact CD1-CE1 3.69Å; F96-H537 AromaticContact CE1-CE1 3.42Å; F96-H537 VanDerWaalsContact CE1-CE1 3.42Å; F96-H537 WeakPolarHBondContact CE1-CE1 3.4Å; F96-H537 AromaticContact CE1-NE2 3.84Å; F96-H537 AromaticContact CZ-CE1 3.88Å |
| 97 | G | 84.8 | Confident | 84.2 | Confident | 0 Ų | 0 | 20.6 Ų | 20.6 | 0% | 0 | 10% | 0.104 | C | C | . | . | H | α-helix | trans | -59.1 | -42.8 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | Y85 S93 G101 | Y85-G97 WeakPolarHBondContact CD2-O 3.49Å; Y85-G97 VanDerWaalsContact CE2-C 3.44Å; Y85-G97 VanDerWaalsContact CE2-O 3.28Å; Y85-G97 WeakPolarHBondContact CE2-O 3.39Å; S93-G97 PolarHBondContact O-N 2.94Å; G97-G101 PolarHBondContact O-N 3.38Å |
| 98 | G | 85.6 | Confident | 85 | Confident | 0 Ų | 0 | 20.2 Ų | 20.2 | 0% | 0 | 10% | 0.102 | C | C | . | . | H | α-helix | trans | -61.4 | -48.8 | 177.6 | 0 | 0 | 0 | 0 | 0 | 112.8 | P94 F96 G101 V102 | P94-G98 PolarHBondContact O-N 2.97Å; F96-G98 VanDerWaalsContact C-N 3.34Å; F96-G98 PolarHBondContact O-N 3.29Å; G98-G101 PolarHBondContact O-N 3.3Å; G98-V102 WeakPolarHBondContact O-CG2 3.26Å; G98-V102 PolarHBondContact O-N 3.31Å |
| 99 | A | 88.4 | Confident | 85.7 | Confident | 0 Ų | 0 | 20 Ų | 20 | 0% | 0 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -65.2 | -46.1 | 178.8 | 0 | 0 | 0 | 0 | 0 | 112.2 | E95 F96 G101 V102 L103 F479 I536 H537 I540 | E95-A99 PolarHBondContact O-N 3.02Å; F96-A99 PolarHBondContact O-N 3.02Å; A99-G101 VanDerWaalsContact C-N 3.33Å; A99-G101 PolarHBondContact O-N 2.74Å; A99-V102 PolarHBondContact O-N 3.03Å; A99-L103 WeakPolarHBondContact O-CG 3.43Å; A99-L103 PolarHBondContact O-N 2.93Å; A99-F479 HydrophobicContact CB-CE1 3.94Å; A99-I536 HydrophobicContact CB-CG2 4.18Å; A99-H537 HydrophobicContact CB-CB 4.34Å; A99-I540 HydrophobicContact CB-CD1 4.39Å |
| 100 | I | 89 | Confident | 86.4 | Confident | 2 Ų | 2 | 20.1 Ų | 20.1 | 1% | 0.01 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -61.3 | -43 | 176.1 | -66.9 | 167.8 | 0 | 0 | 0 | 110.7 | I88 L92 F96 V102 L103 F104 F479 I480 | I88-I100 HydrophobicContact CD1-CG2 3.93Å; I88-I100 HydrophobicContact CG2-CB 4.26Å; I88-I100 HydrophobicContact CG2-CD1 3.66Å; I88-I100 HydrophobicContact CG2-CG2 4.29Å; L92-I100 HydrophobicContact CD1-CD1 4.43Å; F96-I100 WeakPolarHBondContact O-CB 3.36Å; F96-I100 VanDerWaalsContact O-CG1 3.26Å; F96-I100 WeakPolarHBondContact O-CG1 3.19Å; F96-I100 PolarHBondContact O-N 3.04Å; I100-V102 PolarHBondContact O-N 3.12Å; I100-L103 PolarHBondContact O-N 3.14Å; I100-F104 VanDerWaalsContact O-CB 3.28Å; I100-F104 WeakPolarHBondContact O-CB 3.48Å; I100-F104 PolarHBondContact O-N 3.2Å; I100-F479 HydrophobicContact CD1-CD1 4.03Å; I100-F479 HydrophobicContact CG1-CD1 3.49Å; I100-F479 VanDerWaalsContact CG1-CD1 3.49Å; I100-F479 HydrophobicContact CG1-CE1 4.14Å; I100-F479 HydrophobicContact CG1-CG 4.41Å; I100-I480 HydrophobicContact CD1-CG1 3.95Å; I100-I480 HydrophobicContact CG2-CD1 4.41Å; I100-I480 HydrophobicContact CG2-CG1 4.37Å |
| 101 | G | 88.5 | Confident | 87.2 | Confident | 4 Ų | 4 | 13.6 Ų | 13.6 | 4% | 0.041 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -61.8 | -41.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | G97 G98 A99 F105 | G97-G101 PolarHBondContact O-N 3.38Å; G98-G101 PolarHBondContact O-N 3.3Å; A99-G101 VanDerWaalsContact C-N 3.33Å; A99-G101 PolarHBondContact O-N 2.74Å; G101-F105 VanDerWaalsContact O-CB 3.28Å; G101-F105 WeakPolarHBondContact O-CB 2.74Å; G101-F105 PolarHBondContact O-N 3.26Å |
| 102 | V | 89.8 | Confident | 88 | Confident | 19 Ų | 19 | 12.1 Ų | 12.1 | 12% | 0.115 | 7% | 0.069 | C | C | . | . | H | α-helix | trans | -68.1 | -43.8 | 176.4 | 173.3 | 0 | 0 | 0 | 0 | 111.5 | G98 A99 I100 F105 L106 I418 V421 I427 I536 | G98-V102 WeakPolarHBondContact O-CG2 3.26Å; G98-V102 PolarHBondContact O-N 3.31Å; A99-V102 PolarHBondContact O-N 3.03Å; I100-V102 PolarHBondContact O-N 3.12Å; V102-F105 WeakPolarHBondContact O-CB 3.23Å; V102-F105 PolarHBondContact O-N 2.78Å; V102-L106 HydrophobicContact CG1-CD1 4.46Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 2.88Å; V102-I418 HydrophobicContact CG2-CD1 4.34Å; V102-V421 HydrophobicContact CG2-CG1 4.19Å; V102-I427 HydrophobicContact CG2-CD1 3.88Å; V102-I536 HydrophobicContact CG1-CD1 4.27Å |
| 103 | L | 90.3 | Very high | 88.9 | Confident | 1 Ų | 1 | 12 Ų | 12 | 1% | 0.005 | 7% | 0.068 | C | C | . | . | H | α-helix | trans | -64.1 | -44.1 | 178.1 | -72.2 | 171.9 | 0 | 0 | 0 | 111.9 | A99 I100 F105 L106 A107 F472 M475 C533 | A99-L103 WeakPolarHBondContact O-CG 3.43Å; A99-L103 PolarHBondContact O-N 2.93Å; I100-L103 PolarHBondContact O-N 3.14Å; L103-F105 VanDerWaalsContact C-N 3.31Å; L103-F105 PolarHBondContact O-N 3.44Å; L103-L106 PolarHBondContact O-N 3.4Å; L103-A107 WeakPolarHBondContact O-CB 3.49Å; L103-A107 PolarHBondContact O-N 3.24Å; L103-F472 HydrophobicContact CD2-CD1 4.22Å; L103-M475 HydrophobicContact CD1-CG 4.09Å; L103-C533 HydrophobicContact CD1-CB 4.28Å |
| 104 | F | 89.9 | Confident | 89.6 | Confident | 4 Ų | 4 | 10.7 Ų | 10.7 | 2% | 0.018 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -70.2 | -29.7 | 178.8 | -170.7 | -128.5 | 0 | 0 | 0 | 112.2 | I100 N108 M323 L417 F473 | I100-F104 VanDerWaalsContact O-CB 3.28Å; I100-F104 WeakPolarHBondContact O-CB 3.48Å; I100-F104 PolarHBondContact O-N 3.2Å; F104-N108 WeakPolarHBondContact CE1-ND2 3.24Å; F104-N108 VanDerWaalsContact CE2-ND2 3.34Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.49Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.37Å; F104-N108 PolarHBondContact O-N 2.99Å; F104-N108 VanDerWaalsContact O-N 3.08Å; F104-N108 PolarHBondContact O-ND2 3.21Å; F104-M323 HydrophobicContact CB-CE 4.33Å; F104-M323 HydrophobicContact CD1-CE 3.81Å; F104-M323 HydrophobicContact CD2-CE 3.17Å; F104-M323 HydrophobicContact CE1-CB 4.07Å; F104-M323 HydrophobicContact CE1-CE 3.86Å; F104-M323 HydrophobicContact CE2-CB 4.22Å; F104-M323 HydrophobicContact CE2-CE 3.18Å; F104-M323 HydrophobicContact CG-CE 3.52Å; F104-M323 HydrophobicContact CZ-CB 3.65Å; F104-M323 HydrophobicContact CZ-CE 3.59Å; F104-L417 HydrophobicContact CD1-CD1 3.18Å; F104-L417 HydrophobicContact CD1-CD2 3.56Å; F104-L417 HydrophobicContact CD1-CG 3.99Å; F104-L417 HydrophobicContact CE1-CD1 3.42Å; F104-L417 VanDerWaalsContact CE1-CD1 3.42Å; F104-L417 HydrophobicContact CE1-CD2 3.9Å; F104-L417 HydrophobicContact CE1-CG 4.24Å; F104-L417 HydrophobicContact CG-CD1 4.03Å; F104-L417 HydrophobicContact CZ-CD1 4.43Å; F104-F473 HydrophobicContact CD2-CD1 4.06Å; F104-F473 AromaticContact CD2-CE1 3.66Å; F104-F473 HydrophobicContact CD2-CE1 3.66Å; F104-F473 HydrophobicContact CE2-CD1 4.11Å; F104-F473 AromaticContact CE2-CE1 3.48Å; F104-F473 HydrophobicContact CE2-CE1 3.48Å; F104-F473 VanDerWaalsContact CE2-CE1 3.48Å |
| 105 | F | 92 | Very high | 90.3 | Very high | 6 Ų | 6 | 7.7 Ų | 7.7 | 3% | 0.026 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -60.9 | -50.8 | 168.1 | 162.2 | -105.6 | 0 | 0 | 0 | 111.5 | G101 V102 L103 A107 N108 A109 A414 I418 L448 A449 I452 | G101-F105 VanDerWaalsContact O-CB 3.28Å; G101-F105 WeakPolarHBondContact O-CB 2.74Å; G101-F105 PolarHBondContact O-N 3.26Å; V102-F105 WeakPolarHBondContact O-CB 3.23Å; V102-F105 PolarHBondContact O-N 2.78Å; L103-F105 VanDerWaalsContact C-N 3.31Å; L103-F105 PolarHBondContact O-N 3.44Å; F105-A107 VanDerWaalsContact C-N 3.33Å; F105-A107 PolarHBondContact O-N 3.48Å; F105-N108 PolarHBondContact O-N 2.9Å; F105-A109 WeakPolarHBondContact O-CB 3.37Å; F105-A109 PolarHBondContact O-N 3.36Å; F105-A414 HydrophobicContact CD2-CB 3.89Å; F105-A414 VanDerWaalsContact CD2-O 3.28Å; F105-A414 WeakPolarHBondContact CD2-O 3.26Å; F105-A414 HydrophobicContact CE2-CB 4.1Å; F105-I418 HydrophobicContact CB-CB 4.41Å; F105-I418 HydrophobicContact CB-CD1 4.37Å; F105-I418 HydrophobicContact CD1-CD1 4.11Å; F105-I418 HydrophobicContact CD1-CG1 4.37Å; F105-I418 HydrophobicContact CD2-CB 3.74Å; F105-I418 HydrophobicContact CD2-CG1 4.38Å; F105-I418 HydrophobicContact CD2-CG2 3.99Å; F105-I418 HydrophobicContact CE2-CB 4.12Å; F105-I418 HydrophobicContact CE2-CG2 3.94Å; F105-I418 HydrophobicContact CG-CB 3.97Å; F105-I418 HydrophobicContact CG-CD1 4.14Å; F105-I418 HydrophobicContact CG-CG1 4.26Å; F105-L448 HydrophobicContact CE1-CD2 3.97Å; F105-L448 HydrophobicContact CE1-CG 4.39Å; F105-L448 HydrophobicContact CZ-CB 4.46Å; F105-L448 HydrophobicContact CZ-CD2 3.71Å; F105-L448 HydrophobicContact CZ-CG 3.85Å; F105-A449 HydrophobicContact CE2-CB 4.03Å; F105-I452 HydrophobicContact CE1-CD1 3.52Å; F105-I452 HydrophobicContact CZ-CD1 3.67Å |
| 106 | L | 92.4 | Very high | 90.8 | Very high | 29 Ų | 29 | 5.4 Ų | 5.4 | 15% | 0.152 | 3% | 0.028 | C | C | . | . | H | α-helix | trans | -60 | -44.8 | 177.6 | -69.1 | 172.7 | 0 | 0 | 0 | 111.1 | V102 L103 N108 A109 V110 I452 F472 M532 | V102-L106 HydrophobicContact CG1-CD1 4.46Å; V102-L106 WeakPolarHBondContact O-CG 3.38Å; V102-L106 PolarHBondContact O-N 2.88Å; L103-L106 PolarHBondContact O-N 3.4Å; L106-N108 PolarHBondContact O-N 2.9Å; L106-A109 PolarHBondContact O-N 3.24Å; L106-V110 WeakPolarHBondContact O-CG2 3.34Å; L106-V110 PolarHBondContact O-N 3.12Å; L106-I452 HydrophobicContact CD2-CD1 3.97Å; L106-F472 HydrophobicContact CB-CD1 4.25Å; L106-F472 HydrophobicContact CB-CE1 4.3Å; L106-F472 HydrophobicContact CB-CG 4.39Å; L106-F472 HydrophobicContact CB-CZ 4.47Å; L106-F472 HydrophobicContact CD1-CD1 4.49Å; L106-F472 HydrophobicContact CD1-CE1 4Å; L106-F472 HydrophobicContact CD1-CZ 4.45Å; L106-M532 HydrophobicContact CD1-CE 3.69Å |
| 107 | A | 92.4 | Very high | 91.2 | Very high | 0 Ų | 0 | 3.8 Ų | 3.8 | 0% | 0 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -57.2 | -48.5 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | L103 F105 A111 F472 F473 | L103-A107 WeakPolarHBondContact O-CB 3.49Å; L103-A107 PolarHBondContact O-N 3.24Å; F105-A107 VanDerWaalsContact C-N 3.33Å; F105-A107 PolarHBondContact O-N 3.48Å; A107-A111 WeakPolarHBondContact O-CB 3.06Å; A107-A111 PolarHBondContact O-N 3.47Å; A107-F472 HydrophobicContact CB-CB 3.64Å; A107-F473 HydrophobicContact CB-CD1 3.6Å; A107-F473 HydrophobicContact CB-CD2 4.18Å; A107-F473 HydrophobicContact CB-CE1 3.39Å; A107-F473 HydrophobicContact CB-CE2 4.08Å; A107-F473 HydrophobicContact CB-CG 3.97Å; A107-F473 HydrophobicContact CB-CZ 3.68Å |
| 108 | N | 92.3 | Very high | 91.5 | Very high | 1 Ų | 1 | 3.8 Ų | 3.8 | 1% | 0.005 | 2% | 0.021 | C | C | . | . | H | α-helix | trans | -70.8 | -34.7 | -180 | -73.9 | -59 | 0 | 0 | 0 | 113.1 | F104 F105 L106 A111 T112 A414 L417 | F104-N108 WeakPolarHBondContact CE1-ND2 3.24Å; F104-N108 VanDerWaalsContact CE2-ND2 3.34Å; F104-N108 WeakPolarHBondContact CE2-ND2 3.49Å; F104-N108 WeakPolarHBondContact CZ-ND2 3.37Å; F104-N108 PolarHBondContact O-N 2.99Å; F104-N108 VanDerWaalsContact O-N 3.08Å; F104-N108 PolarHBondContact O-ND2 3.21Å; F105-N108 PolarHBondContact O-N 2.9Å; L106-N108 PolarHBondContact O-N 2.9Å; N108-A111 PolarHBondContact O-N 3.39Å; N108-T112 PolarHBondContact O-N 3.45Å; N108-T112 PolarHBondContact O-OG1 3.17Å; N108-A414 HydrophobicContact CB-CB 3.96Å; N108-L417 VanDerWaalsContact ND2-CD1 3.34Å; N108-L417 WeakPolarHBondContact ND2-CD1 3.29Å |
| 109 | A | 94 | Very high | 91.8 | Very high | 0 Ų | 0 | 4.4 Ų | 4.4 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -64.4 | -45 | 175.7 | 0 | 0 | 0 | 0 | 0 | 111.1 | F105 L106 T112 A414 I452 A453 | F105-A109 WeakPolarHBondContact O-CB 3.37Å; F105-A109 PolarHBondContact O-N 3.36Å; L106-A109 PolarHBondContact O-N 3.24Å; A109-T112 WeakPolarHBondContact O-CB 3.36Å; A109-T112 PolarHBondContact O-N 3.13Å; A109-A414 HydrophobicContact CB-CB 4.45Å; A109-I452 HydrophobicContact CB-CB 4.04Å; A109-I452 HydrophobicContact CB-CG2 3.76Å; A109-A453 WeakPolarHBondContact O-CB 3.39Å |
| 110 | V | 93.9 | Very high | 92 | Very high | 7 Ų | 7 | 4.6 Ų | 4.6 | 4% | 0.042 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -70.1 | -39.4 | 175.7 | -175.6 | 0 | 0 | 0 | 0 | 110.9 | L106 T112 S113 M114 I452 I465 I468 V469 F472 | L106-V110 WeakPolarHBondContact O-CG2 3.34Å; L106-V110 PolarHBondContact O-N 3.12Å; V110-T112 PolarHBondContact O-N 2.69Å; V110-S113 WeakPolarHBondContact O-CB 3.4Å; V110-S113 PolarHBondContact O-N 2.63Å; V110-S113 PolarHBondContact O-OG 2.86Å; V110-M114 PolarHBondContact O-N 3.4Å; V110-I452 HydrophobicContact CG2-CG2 4.28Å; V110-I465 HydrophobicContact CG1-CG2 4.01Å; V110-I468 HydrophobicContact CG1-CG2 4.21Å; V110-V469 HydrophobicContact CB-CG2 3.94Å; V110-V469 HydrophobicContact CG1-CG2 3.42Å; V110-V469 VanDerWaalsContact CG1-CG2 3.42Å; V110-F472 HydrophobicContact CG2-CE2 4.35Å |
| 111 | A | 93.3 | Very high | 91.9 | Very high | 1 Ų | 1 | 4.7 Ų | 4.7 | 1% | 0.008 | 3% | 0.026 | C | C | . | . | H | α-helix | trans | -59.2 | -33.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.9 | A107 N108 S113 M114 Y115 V469 F473 | A107-A111 WeakPolarHBondContact O-CB 3.06Å; A107-A111 PolarHBondContact O-N 3.47Å; N108-A111 PolarHBondContact O-N 3.39Å; A111-S113 VanDerWaalsContact C-N 3.26Å; A111-S113 PolarHBondContact O-N 2.86Å; A111-M114 WeakPolarHBondContact O-CB 3.24Å; A111-M114 PolarHBondContact O-N 3.48Å; A111-Y115 HydrophobicContact CB-CE2 4.17Å; A111-Y115 WeakPolarHBondContact O-CD2 3.27Å; A111-Y115 PolarHBondContact O-N 3.14Å; A111-V469 HydrophobicContact CB-CG1 4.04Å; A111-V469 HydrophobicContact CB-CG2 4.5Å; A111-F473 HydrophobicContact CB-CE2 4.28Å; A111-F473 HydrophobicContact CB-CZ 4.44Å |
| 112 | T | 93.5 | Very high | 92 | Very high | 0 Ų | 0 | 4.5 Ų | 4.5 | 0% | 0 | 2% | 0.024 | C | C | . | . | H | α-helix | trans | -56 | -44.7 | 172.9 | -55.6 | 0 | 0 | 0 | 0 | 110.6 | N108 A109 V110 M114 Y115 V116 L157 S410 L411 A453 | N108-T112 PolarHBondContact O-N 3.45Å; N108-T112 PolarHBondContact O-OG1 3.17Å; A109-T112 WeakPolarHBondContact O-CB 3.36Å; A109-T112 PolarHBondContact O-N 3.13Å; V110-T112 PolarHBondContact O-N 2.69Å; T112-M114 PolarHBondContact O-N 3.18Å; T112-Y115 PolarHBondContact O-N 3.26Å; T112-V116 HydrophobicContact CG2-CG2 4.38Å; T112-V116 VanDerWaalsContact O-CG2 3.3Å; T112-V116 WeakPolarHBondContact O-CG2 3.43Å; T112-V116 PolarHBondContact O-N 2.93Å; T112-L157 HydrophobicContact CG2-CD1 3.82Å; T112-S410 WeakPolarHBondContact CA-OG 3.46Å; T112-S410 PolarHBondContact OG1-OG 3.04Å; T112-L411 HydrophobicContact CG2-CB 3.82Å; T112-L411 HydrophobicContact CG2-CD1 4.29Å; T112-L411 HydrophobicContact CG2-CG 4.43Å; T112-L411 WeakPolarHBondContact OG1-CA 3.44Å; T112-L411 PolarHBondContact OG1-N 3.34Å; T112-L411 VanDerWaalsContact OG1-N 3.17Å; T112-A453 HydrophobicContact CG2-CB 4.32Å |
| 113 | S | 93.6 | Very high | 92.1 | Very high | 0 Ų | 0 | 6.1 Ų | 6.1 | 0% | 0 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -63.3 | -40.8 | 178.6 | 75.4 | 0 | 0 | 0 | 0 | 112.2 | V110 A111 Y115 V116 V117 A453 S456 I465 | V110-S113 WeakPolarHBondContact O-CB 3.4Å; V110-S113 PolarHBondContact O-N 2.63Å; V110-S113 PolarHBondContact O-OG 2.86Å; A111-S113 VanDerWaalsContact C-N 3.26Å; A111-S113 PolarHBondContact O-N 2.86Å; S113-Y115 PolarHBondContact O-N 2.83Å; S113-V116 PolarHBondContact O-N 2.83Å; S113-V117 WeakPolarHBondContact O-CB 3.33Å; S113-V117 VanDerWaalsContact O-CG2 3.29Å; S113-V117 WeakPolarHBondContact O-CG2 3.28Å; S113-V117 PolarHBondContact O-N 3.09Å; S113-A453 WeakPolarHBondContact CB-O 3.31Å; S113-S456 WeakPolarHBondContact OG-CB 3.32Å; S113-I465 WeakPolarHBondContact OG-CG2 3.35Å |
| 114 | M | 92.5 | Very high | 91.9 | Very high | 2 Ų | 2 | 6.1 Ų | 6.1 | 1% | 0.01 | 3% | 0.032 | C | C | . | . | H | α-helix | trans | -58.9 | -45.2 | 175.5 | -173.5 | -171.9 | 72.4 | 0 | 0 | 111.8 | I35 V110 A111 T112 G118 P317 V462 I465 A466 | I35-M114 HydrophobicContact CD1-CE 4.21Å; I35-M114 HydrophobicContact CD1-SD 3.99Å; V110-M114 PolarHBondContact O-N 3.4Å; A111-M114 WeakPolarHBondContact O-CB 3.24Å; A111-M114 PolarHBondContact O-N 3.48Å; T112-M114 PolarHBondContact O-N 3.18Å; M114-G118 PolarHBondContact O-N 2.86Å; M114-P317 HydrophobicContact CE-CB 3.9Å; M114-P317 HydrophobicContact SD-CB 3.74Å; M114-P317 HydrophobicContact SD-CG 4.06Å; M114-V462 HydrophobicContact CG-CG1 4.08Å; M114-I465 HydrophobicContact CB-CG2 3.96Å; M114-A466 HydrophobicContact SD-CB 4.28Å |
| 115 | Y | 92.6 | Very high | 91.6 | Very high | 4 Ų | 4 | 6.9 Ų | 6.9 | 2% | 0.016 | 4% | 0.037 | C | C | . | . | H | α-helix | trans | -68.2 | -38.1 | 178.2 | -62.6 | -50.6 | 0 | 0 | 0 | 112.9 | N30 V34 A111 T112 S113 N119 A406 | N30-Y115 PolarHBondContact O-OH 3.48Å; V34-Y115 HydrophobicContact CG2-CD1 3.85Å; A111-Y115 HydrophobicContact CB-CE2 4.17Å; A111-Y115 WeakPolarHBondContact O-CD2 3.27Å; A111-Y115 PolarHBondContact O-N 3.14Å; T112-Y115 PolarHBondContact O-N 3.26Å; S113-Y115 PolarHBondContact O-N 2.83Å; Y115-N119 WeakPolarHBondContact O-CB 3.45Å; Y115-N119 PolarHBondContact O-N 3.08Å; Y115-A406 HydrophobicContact CD1-CB 3.96Å; Y115-A406 HydrophobicContact CD2-CB 3.97Å; Y115-A406 HydrophobicContact CE1-CB 3.92Å; Y115-A406 HydrophobicContact CE2-CB 3.93Å; Y115-A406 HydrophobicContact CG-CB 3.99Å |
| 116 | V | 94 | Very high | 91.4 | Very high | 0 Ų | 0 | 7.5 Ų | 7.5 | 0% | 0 | 4% | 0.039 | C | C | . | . | H | α-helix | trans | -66.9 | -49.7 | 177.5 | 169.1 | 0 | 0 | 0 | 0 | 111.2 | T112 S113 G118 N119 I120 G153 L156 L157 M160 I457 | T112-V116 HydrophobicContact CG2-CG2 4.38Å; T112-V116 VanDerWaalsContact O-CG2 3.3Å; T112-V116 WeakPolarHBondContact O-CG2 3.43Å; T112-V116 PolarHBondContact O-N 2.93Å; S113-V116 PolarHBondContact O-N 2.83Å; V116-G118 VanDerWaalsContact C-N 3.33Å; V116-G118 PolarHBondContact O-N 3.21Å; V116-N119 WeakPolarHBondContact O-CB 3.46Å; V116-N119 PolarHBondContact O-N 3.06Å; V116-I120 WeakPolarHBondContact O-CG1 3.3Å; V116-I120 PolarHBondContact O-N 3.03Å; V116-G153 VanDerWaalsContact CG1-O 3.31Å; V116-G153 WeakPolarHBondContact CG1-O 3.35Å; V116-L156 HydrophobicContact CG1-CB 4.16Å; V116-L156 HydrophobicContact CG1-CD2 4.14Å; V116-L156 HydrophobicContact CG1-CG 4.29Å; V116-L157 HydrophobicContact CG1-CB 4.44Å; V116-L157 HydrophobicContact CG2-CD1 4.23Å; V116-M160 HydrophobicContact CG2-CE 4.03Å; V116-M160 HydrophobicContact CG2-SD 3.6Å; V116-M160 VanDerWaalsContact CG2-SD 3.6Å; V116-I457 HydrophobicContact CB-CD1 4.26Å; V116-I457 HydrophobicContact CG1-CD1 3.76Å |
| 117 | V | 92.3 | Very high | 91.2 | Very high | 0 Ų | 0 | 8.6 Ų | 8.6 | 0% | 0 | 5% | 0.047 | C | C | . | . | H | α-helix | trans | -63.4 | -42.3 | 178.6 | 179.2 | 0 | 0 | 0 | 0 | 110.2 | S113 N119 I120 E121 F149 I457 V462 I465 | S113-V117 WeakPolarHBondContact O-CB 3.33Å; S113-V117 VanDerWaalsContact O-CG2 3.29Å; S113-V117 WeakPolarHBondContact O-CG2 3.28Å; S113-V117 PolarHBondContact O-N 3.09Å; V117-N119 VanDerWaalsContact C-N 3.32Å; V117-N119 PolarHBondContact O-N 3.4Å; V117-I120 PolarHBondContact O-N 3.33Å; V117-E121 PolarHBondContact O-N 3.15Å; V117-F149 HydrophobicContact CG1-CB 4.36Å; V117-F149 HydrophobicContact CG1-CD2 4.42Å; V117-I457 HydrophobicContact CG2-CG1 4.2Å; V117-I457 HydrophobicContact CG2-CG2 4.4Å; V117-V462 HydrophobicContact CB-CG2 3.96Å; V117-V462 HydrophobicContact CG1-CG2 3.46Å; V117-V462 VanDerWaalsContact CG1-CG2 3.46Å; V117-I465 HydrophobicContact CG2-CD1 4.1Å |
| 118 | G | 90.3 | Very high | 90.9 | Very high | 0 Ų | 0 | 9.9 Ų | 9.9 | 0% | 0 | 6% | 0.058 | C | C | . | . | H | α-helix | trans | -63.4 | -32.9 | 175 | 0 | 0 | 0 | 0 | 0 | 114 | M114 V116 V122 | M114-G118 PolarHBondContact O-N 2.86Å; V116-G118 VanDerWaalsContact C-N 3.33Å; V116-G118 PolarHBondContact O-N 3.21Å; G118-V122 WeakPolarHBondContact O-CG2 3.41Å; G118-V122 PolarHBondContact O-N 2.85Å |
| 119 | N | 92.4 | Very high | 90.3 | Very high | 12 Ų | 12 | 13.7 Ų | 13.7 | 6% | 0.064 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -66.9 | -44.1 | 173.7 | -172.6 | -85.1 | 0 | 0 | 0 | 111.5 | Y115 V116 V117 V122 L123 L156 L400 T403 | Y115-N119 WeakPolarHBondContact O-CB 3.45Å; Y115-N119 PolarHBondContact O-N 3.08Å; V116-N119 WeakPolarHBondContact O-CB 3.46Å; V116-N119 PolarHBondContact O-N 3.06Å; V117-N119 VanDerWaalsContact C-N 3.32Å; V117-N119 PolarHBondContact O-N 3.4Å; N119-V122 PolarHBondContact O-N 3.25Å; N119-L123 WeakPolarHBondContact O-CB 3.31Å; N119-L123 PolarHBondContact O-N 2.8Å; N119-L156 HydrophobicContact CB-CD2 3.91Å; N119-L156 WeakPolarHBondContact OD1-CD2 3.33Å; N119-L400 PolarHBondContact ND2-O 3.15Å; N119-T403 WeakPolarHBondContact CB-OG1 3.46Å; N119-T403 PolarHBondContact ND2-OG1 2.97Å |
| 120 | I | 92.4 | Very high | 89.6 | Confident | 5 Ų | 5 | 22.8 Ų | 22.8 | 3% | 0.026 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -66.5 | -37.7 | 178 | -67.4 | -53.9 | 0 | 0 | 0 | 111.9 | V116 V117 V122 L123 L124 F149 L156 | V116-I120 WeakPolarHBondContact O-CG1 3.3Å; V116-I120 PolarHBondContact O-N 3.03Å; V117-I120 PolarHBondContact O-N 3.33Å; I120-V122 VanDerWaalsContact C-N 3.32Å; I120-V122 PolarHBondContact O-N 3.43Å; I120-L123 HydrophobicContact CD1-CD2 4.1Å; I120-L123 PolarHBondContact O-N 3.45Å; I120-L124 HydrophobicContact CG2-CD1 3.49Å; I120-L124 VanDerWaalsContact CG2-CD1 3.49Å; I120-L124 HydrophobicContact CG2-CG 4.01Å; I120-L124 WeakPolarHBondContact O-CB 3.39Å; I120-L124 WeakPolarHBondContact O-CG 3.49Å; I120-L124 PolarHBondContact O-N 3.1Å; I120-F149 HydrophobicContact CG2-CD1 3.91Å; I120-L156 HydrophobicContact CD1-CB 4.06Å; I120-L156 HydrophobicContact CD1-CD2 3.76Å; I120-L156 HydrophobicContact CG1-CB 4.44Å; I120-L156 HydrophobicContact CG1-CD2 4Å |
| 121 | E | 88.5 | Confident | 89.1 | Confident | 3 Ų | 3 | 25.5 Ų | 25.5 | 1% | 0.014 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -56.4 | -47.7 | 172.8 | -176.5 | 179.3 | 160.1 | 0 | 0 | 110.8 | R39 V117 L123 T125 F149 Y374 | R39-E121 IonicContact CZ-OE1 3.7Å; R39-E121 VanDerWaalsContact CZ-OE1 3.27Å; R39-E121 IonicContact CZ-OE2 2.69Å; R39-E121 IonicContact NH1-OE1 3.02Å; R39-E121 PolarHBondContact NH1-OE1 2.92Å; R39-E121 IonicContact NH1-OE2 2.74Å; R39-E121 IonicContact NH2-OE1 3.62Å; R39-E121 PolarHBondContact NH2-OE1 3.44Å; R39-E121 IonicContact NH2-OE2 3.63Å; R39-E121 PolarHBondContact NH2-OE2 2.81Å; V117-E121 PolarHBondContact O-N 3.15Å; E121-L123 PolarHBondContact O-N 2.82Å; E121-T125 WeakPolarHBondContact O-CB 3.21Å; E121-T125 PolarHBondContact O-N 3.03Å; E121-T125 PolarHBondContact O-OG1 3.2Å; E121-F149 HydrophobicContact CB-CE1 4.42Å; E121-F149 HydrophobicContact CB-CZ 4.1Å; E121-F149 HydrophobicContact CG-CZ 4.04Å; E121-Y374 WeakPolarHBondContact OE1-CE1 3.33Å |
| 122 | V | 89.6 | Confident | 88.4 | Confident | 0 Ų | 0 | 30.2 Ų | 30.2 | 0% | 0 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -65.5 | -42.7 | 177.9 | 176.1 | 0 | 0 | 0 | 0 | 111.7 | I38 G118 N119 I120 Y126 V396 V399 L400 | I38-V122 HydrophobicContact CD1-CG2 3.16Å; I38-V122 HydrophobicContact CG1-CG2 3.99Å; G118-V122 WeakPolarHBondContact O-CG2 3.41Å; G118-V122 PolarHBondContact O-N 2.85Å; N119-V122 PolarHBondContact O-N 3.25Å; I120-V122 VanDerWaalsContact C-N 3.32Å; I120-V122 PolarHBondContact O-N 3.43Å; V122-Y126 HydrophobicContact CB-CD2 4.24Å; V122-Y126 HydrophobicContact CG1-CD2 4Å; V122-Y126 HydrophobicContact CG2-CD2 4.44Å; V122-Y126 WeakPolarHBondContact O-CB 3.32Å; V122-Y126 PolarHBondContact O-N 2.79Å; V122-V396 HydrophobicContact CG1-CG1 4.14Å; V122-V399 HydrophobicContact CG1-CG1 4.49Å; V122-V399 HydrophobicContact CG2-CG1 3.76Å; V122-L400 HydrophobicContact CB-CD2 3.92Å; V122-L400 HydrophobicContact CG1-CD2 3.72Å; V122-L400 HydrophobicContact CG1-CG 3.8Å |
| 123 | L | 91.1 | Very high | 87.7 | Confident | 53 Ų | 53 | 32.3 Ų | 32.3 | 28% | 0.277 | 18% | 0.179 | S | C | . | . | I | π-helix | trans | -63.3 | -48.1 | -177.7 | -175.7 | 68.5 | 0 | 0 | 0 | 111.5 | N119 I120 E121 V127 A128 L400 | N119-L123 WeakPolarHBondContact O-CB 3.31Å; N119-L123 PolarHBondContact O-N 2.8Å; I120-L123 HydrophobicContact CD1-CD2 4.1Å; I120-L123 PolarHBondContact O-N 3.45Å; E121-L123 PolarHBondContact O-N 2.82Å; L123-V127 HydrophobicContact CD1-CB 4.2Å; L123-V127 HydrophobicContact CD1-CG1 4.33Å; L123-V127 WeakPolarHBondContact O-CB 3.17Å; L123-V127 PolarHBondContact O-N 2.81Å; L123-A128 PolarHBondContact O-N 3.02Å; L123-L400 HydrophobicContact CB-CD2 4.25Å |
| 124 | L | 88 | Confident | 86.9 | Confident | 1 Ų | 1 | 37.1 Ų | 37.1 | 1% | 0.005 | 20% | 0.2 | C | C | . | . | I | π-helix | trans | -78.4 | -33.5 | -175.9 | -66.9 | 176.9 | 0 | 0 | 0 | 112.9 | I120 P129 L131 Q133 T148 F149 Y152 | I120-L124 HydrophobicContact CG2-CD1 3.49Å; I120-L124 VanDerWaalsContact CG2-CD1 3.49Å; I120-L124 HydrophobicContact CG2-CG 4.01Å; I120-L124 WeakPolarHBondContact O-CB 3.39Å; I120-L124 WeakPolarHBondContact O-CG 3.49Å; I120-L124 PolarHBondContact O-N 3.1Å; L124-P129 VanDerWaalsContact O-CA 3.3Å; L124-P129 WeakPolarHBondContact O-CA 2.91Å; L124-L131 HydrophobicContact CD2-CB 4.17Å; L124-L131 HydrophobicContact CD2-CD1 3.84Å; L124-Q133 PolarHBondContact O-NE2 2.92Å; L124-T148 HydrophobicContact CD1-CG2 3.58Å; L124-F149 HydrophobicContact CD1-CD1 3.96Å; L124-F149 HydrophobicContact CD1-CE1 4.08Å; L124-Y152 HydrophobicContact CD1-CD2 3.89Å; L124-Y152 HydrophobicContact CD1-CE2 4.39Å; L124-Y152 HydrophobicContact CD1-CG 4.37Å; L124-Y152 HydrophobicContact CD2-CD2 4.27Å; L124-Y152 HydrophobicContact CD2-CE2 4.18Å |
| 125 | T | 83.7 | Confident | 85.7 | Confident | 20 Ų | 20 | 38.9 Ų | 38.9 | 12% | 0.123 | 22% | 0.219 | C | C | . | . | I | π-helix | trans | -82.5 | -41.5 | -178.4 | -56 | 0 | 0 | 0 | 0 | 112 | E121 | E121-T125 WeakPolarHBondContact O-CB 3.21Å; E121-T125 PolarHBondContact O-N 3.03Å; E121-T125 PolarHBondContact O-OG1 3.2Å |
| 126 | Y | 86.3 | Confident | 84.3 | Confident | 19 Ų | 19 | 44.5 Ų | 44.5 | 8% | 0.075 | 25% | 0.25 | C | C | . | . | I | π-helix | trans | -110.2 | -24.2 | -168.5 | -54.5 | -59.6 | 0 | 0 | 0 | 115.3 | V122 Y374 G380 L382 | V122-Y126 HydrophobicContact CB-CD2 4.24Å; V122-Y126 HydrophobicContact CG1-CD2 4Å; V122-Y126 HydrophobicContact CG2-CD2 4.44Å; V122-Y126 WeakPolarHBondContact O-CB 3.32Å; V122-Y126 PolarHBondContact O-N 2.79Å; Y126-Y374 WeakPolarHBondContact CE1-O 3.49Å; Y126-Y374 PolarHBondContact OH-O 3.48Å; Y126-G380 WeakPolarHBondContact CD1-O 3.48Å; Y126-L382 HydrophobicContact CD1-CB 4.13Å; Y126-L382 HydrophobicContact CD2-CB 4.39Å; Y126-L382 HydrophobicContact CD2-CD1 4.25Å; Y126-L382 HydrophobicContact CE1-CB 4.03Å; Y126-L382 HydrophobicContact CE1-CD1 4.36Å; Y126-L382 VanDerWaalsContact CE1-N 3.34Å; Y126-L382 HydrophobicContact CE2-CB 4.3Å; Y126-L382 HydrophobicContact CE2-CD1 3.54Å; Y126-L382 HydrophobicContact CE2-CG 4.48Å; Y126-L382 HydrophobicContact CG-CB 4.32Å |
| 127 | V | 88.4 | Confident | 82.6 | Confident | 52 Ų | 52 | 49.7 Ų | 49.7 | 32% | 0.315 | 29% | 0.292 | S | S | . | . | I | π-helix | trans | -103.8 | -51.1 | -174.8 | -178.6 | 0 | 0 | 0 | 0 | 112 | L123 P129 W393 V396 L400 | L123-V127 HydrophobicContact CD1-CB 4.2Å; L123-V127 HydrophobicContact CD1-CG1 4.33Å; L123-V127 WeakPolarHBondContact O-CB 3.17Å; L123-V127 PolarHBondContact O-N 2.81Å; V127-P129 VanDerWaalsContact C-CD 3.49Å; V127-W393 HydrophobicContact CG1-CZ3 4.37Å; V127-W393 HydrophobicContact CG2-CZ3 4.17Å; V127-V396 HydrophobicContact CG2-CG1 3.5Å; V127-L400 HydrophobicContact CG2-CD1 3.87Å |
| 128 | A | 86.3 | Confident | 80.9 | Confident | 28 Ų | 28 | 54.5 Ų | 54.5 | 23% | 0.231 | 32% | 0.318 | C | S | . | . | trans | -133.4 | 65.8 | -172.3 | 0 | 0 | 0 | 0 | 0 | 111.4 | L123 E130 L131 | L123-A128 PolarHBondContact O-N 3.02Å; A128-E130 PolarHBondContact O-N 3.06Å; A128-L131 HydrophobicContact CB-CD1 3.61Å; A128-L131 HydrophobicContact CB-CG 3.87Å; A128-L131 PolarHBondContact O-N 2.98Å | ||
| 129 | P | 78.8 | Confident | 79.4 | Confident | 81 Ų | 81 | 58.3 Ų | 58.3 | 53% | 0.526 | 34% | 0.341 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -64.8 | -19.2 | 176.5 | 28.6 | -35.5 | 0 | 0 | 0 | 112.9 | L124 V127 L131 Q133 | L124-P129 VanDerWaalsContact O-CA 3.3Å; L124-P129 WeakPolarHBondContact O-CA 2.91Å; V127-P129 VanDerWaalsContact C-CD 3.49Å; P129-L131 VanDerWaalsContact C-N 3.28Å; P129-L131 PolarHBondContact O-N 3.04Å; P129-Q133 PolarHBondContact O-NE2 2.83Å |
| 130 | E | 79.9 | Confident | 78.1 | Confident | 190 Ų | 190 | 61.8 Ų | 61.8 | 89% | 0.888 | 35% | 0.353 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.4 | -12.2 | 178.3 | -58.4 | -176.2 | 175.7 | 0 | 0 | 114 | A128 | A128-E130 PolarHBondContact O-N 3.06Š|
| 131 | L | 83.4 | Confident | 77 | Confident | 64 Ų | 64 | 64.6 Ų | 64.6 | 34% | 0.335 | 37% | 0.37 | S | S | . | . | S | Bend | trans | -60.1 | 149.9 | 175.8 | -76.2 | 171.5 | 0 | 0 | 0 | 110.3 | L124 A128 P129 Q133 | L124-L131 HydrophobicContact CD2-CB 4.17Å; L124-L131 HydrophobicContact CD2-CD1 3.84Å; A128-L131 HydrophobicContact CB-CD1 3.61Å; A128-L131 HydrophobicContact CB-CG 3.87Å; A128-L131 PolarHBondContact O-N 2.98Å; P129-L131 VanDerWaalsContact C-N 3.28Å; P129-L131 PolarHBondContact O-N 3.04Å; L131-Q133 WeakPolarHBondContact O-CG 3.34Å; L131-Q133 PolarHBondContact O-N 3.16Å; L131-Q133 VanDerWaalsContact O-N 3.09Å |
| 132 | P | 79.6 | Confident | 76.1 | Confident | 100 Ų | 100 | 69 Ų | 69 | 65% | 0.649 | 39% | 0.394 | S | S | * | . | trans | -62.9 | 118.7 | 178.9 | 24.7 | -31.9 | 0 | 0 | 0 | 109.5 | Y152 | P132-Y152 PolarHBondContact O-OH 2.88Å; P132-Y152 VanDerWaalsContact O-OH 3.07Å | ||
| 133 | Q | 78.6 | Confident | 75.5 | Confident | 45 Ų | 45 | 73.5 Ų | 73.5 | 21% | 0.21 | 42% | 0.422 | C | S | . | . | trans | -119.6 | 153.2 | 177 | -62.3 | 175 | 23.3 | 0 | 0 | 108.2 | L124 P129 L131 T148 | L124-Q133 PolarHBondContact O-NE2 2.92Å; P129-Q133 PolarHBondContact O-NE2 2.83Å; L131-Q133 WeakPolarHBondContact O-CG 3.34Å; L131-Q133 PolarHBondContact O-N 3.16Å; L131-Q133 VanDerWaalsContact O-N 3.09Å; Q133-T148 HydrophobicContact CB-CG2 4.24Å; Q133-T148 HydrophobicContact CG-CG2 4Å | ||
| 134 | F | 75.7 | Confident | 75.1 | Confident | 100 Ų | 100 | 73 Ų | 73 | 44% | 0.439 | 42% | 0.419 | S | S | . | . | S | Bend | trans | -72.8 | 135.3 | 169.8 | -62.7 | -74.5 | 0 | 0 | 0 | 109 | D144 N147 T148 I151 | F134-D144 HydrophobicContact CB-CB 3.83Å; F134-D144 WeakPolarHBondContact O-CB 3.5Å; F134-N147 HydrophobicContact CD2-CB 3.87Å; F134-N147 HydrophobicContact CE2-CB 4.23Å; F134-T148 WeakPolarHBondContact CD2-OG1 3.43Å; F134-T148 PolarHBondContact N-OG1 3.31Å; F134-I151 HydrophobicContact CE2-CD1 3.6Å; F134-I151 HydrophobicContact CZ-CD1 3.8Å |
| 135 | G | 67.4 | Low | 74.7 | Confident | 40 Ų | 40 | 73.8 Ų | 73.8 | 41% | 0.412 | 42% | 0.423 | S | S | . | . | S | Bend | trans | 91.1 | 160.2 | -178.1 | 0 | 0 | 0 | 0 | 0 | 114.7 | ||
| 136 | N | 64.3 | Low | 74.6 | Confident | 122 Ų | 122 | 73.5 Ų | 73.5 | 65% | 0.652 | 42% | 0.423 | S | S | * | . | trans | -91.2 | 152.4 | 172.7 | -67.6 | -17.8 | 0 | 0 | 0 | 110 | L138 T139 R140 | N136-L138 PolarHBondContact O-N 2.89Å; N136-T139 CarbonylContact O-C 3.6Å; N136-T139 PolarHBondContact O-N 3.39Å; N136-R140 PolarHBondContact O-N 3.24Å; N136-R140 VanDerWaalsContact O-N 3.12Å | ||
| 137 | A | 57.9 | Low | 74.7 | Confident | 108 Ų | 108 | 75.4 Ų | 75.4 | 89% | 0.893 | 43% | 0.434 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -51.5 | -28.9 | -173 | 0 | 0 | 0 | 0 | 0 | 115.5 | ||
| 138 | L | 56.4 | Low | 74.8 | Confident | 102 Ų | 102 | 73 Ų | 73 | 53% | 0.534 | 42% | 0.42 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -95.7 | -21.9 | 179.9 | -68.3 | 159.9 | 0 | 0 | 0 | 113.8 | N136 | N136-L138 PolarHBondContact O-N 2.89Š|
| 139 | T | 59.4 | Low | 74.9 | Confident | 79 Ų | 79 | 72 Ų | 72 | 49% | 0.485 | 41% | 0.41 | S | S | . | . | S | Bend | trans | -115.3 | 23.1 | -174 | 68 | 0 | 0 | 0 | 0 | 112.2 | N136 T141 | N136-T139 CarbonylContact O-C 3.6Å; N136-T139 PolarHBondContact O-N 3.39Å; T139-T141 PolarHBondContact O-N 3.19Å; T139-T141 VanDerWaalsContact O-N 3.14Å |
| 140 | R | 64.2 | Low | 75.5 | Confident | 85 Ų | 85 | 72 Ų | 72 | 32% | 0.321 | 40% | 0.4 | S | S | . | . | trans | -65.2 | 112.8 | -178 | -175.5 | -172.7 | -174.5 | 124.1 | 1.4 | 109.1 | N136 M145 | N136-R140 PolarHBondContact O-N 3.24Å; N136-R140 VanDerWaalsContact O-N 3.12Å; R140-M145 PolarHBondContact NE-SD 3.49Å; R140-M145 PolarHBondContact NH2-SD 3.04Å | ||
| 141 | T | 69.3 | Low | 76.1 | Confident | 64 Ų | 64 | 66.6 Ų | 66.6 | 39% | 0.393 | 38% | 0.376 | S | S | . | . | trans | -82.8 | 152.6 | 169.4 | 70.2 | 0 | 0 | 0 | 0 | 109.9 | T139 T143 D144 M145 | T139-T141 PolarHBondContact O-N 3.19Å; T139-T141 VanDerWaalsContact O-N 3.14Å; T141-T143 PolarHBondContact O-N 3.49Å; T141-T143 VanDerWaalsContact O-N 3.15Å; T141-T143 PolarHBondContact OG1-OG1 2.97Å; T141-D144 PolarHBondContact N-OD2 2.99Å; T141-D144 PolarHBondContact O-N 2.66Å; T141-D144 PolarHBondContact OG1-N 3.14Å; T141-D144 PolarHBondContact OG1-OD2 2.97Å; T141-M145 PolarHBondContact O-N 3.38Å | ||
| 142 | D | 70 | Confident | 76.6 | Confident | 97 Ų | 97 | 66.3 Ų | 66.3 | 52% | 0.519 | 37% | 0.371 | S | S | . | . | H | α-helix | trans | -57.9 | -30.5 | 175.2 | -60.5 | -42.5 | 0 | 0 | 0 | 111.7 | M145 A146 | D142-M145 PolarHBondContact O-N 2.96Å; D142-A146 WeakPolarHBondContact O-CB 3.49Å; D142-A146 PolarHBondContact O-N 3.11Å |
| 143 | T | 77.4 | Confident | 77.2 | Confident | 93 Ų | 93 | 61.6 Ų | 61.6 | 57% | 0.571 | 34% | 0.34 | S | S | * | . | H | α-helix | trans | -67.8 | -37.2 | 177.3 | 63.6 | 0 | 0 | 0 | 0 | 113.1 | T141 A146 N147 | T141-T143 PolarHBondContact O-N 3.49Å; T141-T143 VanDerWaalsContact O-N 3.15Å; T141-T143 PolarHBondContact OG1-OG1 2.97Å; T143-A146 PolarHBondContact O-N 3.07Å; T143-N147 VanDerWaalsContact O-CG 3.31Å; T143-N147 PolarHBondContact O-N 3.13Å; T143-N147 PolarHBondContact O-ND2 3.2Å |
| 144 | D | 81.7 | Confident | 78 | Confident | 42 Ų | 42 | 60.6 Ų | 60.6 | 23% | 0.225 | 34% | 0.338 | C | S | . | . | H | α-helix | trans | -69.3 | -39.5 | 178.1 | -63.8 | -39.6 | 0 | 0 | 0 | 110.9 | F134 T141 N147 T148 | F134-D144 HydrophobicContact CB-CB 3.83Å; F134-D144 WeakPolarHBondContact O-CB 3.5Å; T141-D144 PolarHBondContact N-OD2 2.99Å; T141-D144 PolarHBondContact O-N 2.66Å; T141-D144 PolarHBondContact OG1-N 3.14Å; T141-D144 PolarHBondContact OG1-OD2 2.97Å; D144-N147 PolarHBondContact O-N 3.36Å; D144-T148 PolarHBondContact O-N 2.91Å; D144-T148 PolarHBondContact O-OG1 3.27Å |
| 145 | M | 79.5 | Confident | 78.9 | Confident | 18 Ų | 18 | 62.8 Ų | 62.8 | 9% | 0.089 | 35% | 0.348 | C | S | . | . | H | α-helix | trans | -62.9 | -46.3 | 174.1 | -178.4 | 162.1 | 77.4 | 0 | 0 | 111.6 | R140 T141 D142 N147 T148 F149 Y374 | R140-M145 PolarHBondContact NE-SD 3.49Å; R140-M145 PolarHBondContact NH2-SD 3.04Å; T141-M145 PolarHBondContact O-N 3.38Å; D142-M145 PolarHBondContact O-N 2.96Å; M145-N147 VanDerWaalsContact C-N 3.32Å; M145-N147 PolarHBondContact O-N 3.37Å; M145-T148 WeakPolarHBondContact O-CB 3.44Å; M145-T148 PolarHBondContact O-N 3.01Å; M145-T148 VanDerWaalsContact O-N 3.14Å; M145-F149 HydrophobicContact CE-CE2 3.99Å; M145-F149 HydrophobicContact CE-CZ 4.32Å; M145-F149 HydrophobicContact CG-CD1 4.44Å; M145-F149 HydrophobicContact CG-CD2 3.95Å; M145-F149 HydrophobicContact CG-CE1 3.89Å; M145-F149 HydrophobicContact CG-CE2 3.33Å; M145-F149 HydrophobicContact CG-CG 4.47Å; M145-F149 HydrophobicContact CG-CZ 3.3Å; M145-F149 WeakPolarHBondContact O-CG 3.39Å; M145-F149 PolarHBondContact O-N 3.26Å; M145-F149 HydrophobicContact SD-CE1 4.47Å; M145-F149 HydrophobicContact SD-CE2 3.78Å; M145-F149 HydrophobicContact SD-CZ 3.54Å; M145-F149 VanDerWaalsContact SD-CZ 3.54Å; M145-Y374 HydrophobicContact CE-CE1 4.22Å; M145-Y374 HydrophobicContact CE-CE2 4.37Å; M145-Y374 WeakPolarHBondContact CE-OH 3.27Å |
| 146 | A | 82.2 | Confident | 80.2 | Confident | 14 Ų | 14 | 62.1 Ų | 62.1 | 12% | 0.116 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -60.1 | -41.4 | 177.3 | 0 | 0 | 0 | 0 | 0 | 112 | D142 T143 T148 F149 R150 | D142-A146 WeakPolarHBondContact O-CB 3.49Å; D142-A146 PolarHBondContact O-N 3.11Å; T143-A146 PolarHBondContact O-N 3.07Å; A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 3.17Å; A146-F149 PolarHBondContact O-N 3.43Å; A146-R150 VanDerWaalsContact O-CG 3.22Å; A146-R150 WeakPolarHBondContact O-CG 3.29Å; A146-R150 PolarHBondContact O-N 3.27Å |
| 147 | N | 87.7 | Confident | 81.7 | Confident | 60 Ų | 60 | 56.3 Ų | 56.3 | 32% | 0.321 | 30% | 0.304 | S | S | . | . | H | α-helix | trans | -62.3 | -39.4 | 175.5 | -73.4 | -28.4 | 0 | 0 | 0 | 112.5 | F134 T143 D144 M145 R150 I151 | F134-N147 HydrophobicContact CD2-CB 3.87Å; F134-N147 HydrophobicContact CE2-CB 4.23Å; T143-N147 VanDerWaalsContact O-CG 3.31Å; T143-N147 PolarHBondContact O-N 3.13Å; T143-N147 PolarHBondContact O-ND2 3.2Å; D144-N147 PolarHBondContact O-N 3.36Å; M145-N147 VanDerWaalsContact C-N 3.32Å; M145-N147 PolarHBondContact O-N 3.37Å; N147-R150 PolarHBondContact O-N 3.18Å; N147-R150 PolarHBondContact OD1-NH1 2.97Å; N147-I151 PolarHBondContact O-N 3.09Å |
| 148 | T | 89.9 | Confident | 83.5 | Confident | 2 Ų | 2 | 53.9 Ų | 53.9 | 1% | 0.012 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 175.1 | -54.3 | 0 | 0 | 0 | 0 | 110.4 | L124 Q133 F134 D144 M145 A146 R150 I151 Y152 | L124-T148 HydrophobicContact CD1-CG2 3.58Å; Q133-T148 HydrophobicContact CB-CG2 4.24Å; Q133-T148 HydrophobicContact CG-CG2 4Å; F134-T148 WeakPolarHBondContact CD2-OG1 3.43Å; F134-T148 PolarHBondContact N-OG1 3.31Å; D144-T148 PolarHBondContact O-N 2.91Å; D144-T148 PolarHBondContact O-OG1 3.27Å; M145-T148 WeakPolarHBondContact O-CB 3.44Å; M145-T148 PolarHBondContact O-N 3.01Å; M145-T148 VanDerWaalsContact O-N 3.14Å; A146-T148 VanDerWaalsContact C-N 3.31Å; A146-T148 PolarHBondContact O-N 3.17Å; T148-R150 VanDerWaalsContact C-N 3.3Å; T148-R150 PolarHBondContact O-N 2.83Å; T148-I151 PolarHBondContact O-N 3.02Å; T148-Y152 HydrophobicContact CG2-CD2 3.69Å; T148-Y152 HydrophobicContact CG2-CE2 3.72Å; T148-Y152 WeakPolarHBondContact O-CD2 3.32Å; T148-Y152 PolarHBondContact O-N 3.27Å; T148-Y152 VanDerWaalsContact O-N 3.16Å |
| 149 | F | 89.4 | Confident | 85.2 | Confident | 7 Ų | 7 | 54.3 Ų | 54.3 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -61.4 | -35.4 | 178.3 | -65.4 | -18.1 | 0 | 0 | 0 | 113.3 | V117 I120 E121 L124 M145 A146 G153 G460 | V117-F149 HydrophobicContact CG1-CB 4.36Å; V117-F149 HydrophobicContact CG1-CD2 4.42Å; I120-F149 HydrophobicContact CG2-CD1 3.91Å; E121-F149 HydrophobicContact CB-CE1 4.42Å; E121-F149 HydrophobicContact CB-CZ 4.1Å; E121-F149 HydrophobicContact CG-CZ 4.04Å; L124-F149 HydrophobicContact CD1-CD1 3.96Å; L124-F149 HydrophobicContact CD1-CE1 4.08Å; M145-F149 HydrophobicContact CE-CE2 3.99Å; M145-F149 HydrophobicContact CE-CZ 4.32Å; M145-F149 HydrophobicContact CG-CD1 4.44Å; M145-F149 HydrophobicContact CG-CD2 3.95Å; M145-F149 HydrophobicContact CG-CE1 3.89Å; M145-F149 HydrophobicContact CG-CE2 3.33Å; M145-F149 HydrophobicContact CG-CG 4.47Å; M145-F149 HydrophobicContact CG-CZ 3.3Å; M145-F149 WeakPolarHBondContact O-CG 3.39Å; M145-F149 PolarHBondContact O-N 3.26Å; M145-F149 HydrophobicContact SD-CE1 4.47Å; M145-F149 HydrophobicContact SD-CE2 3.78Å; M145-F149 HydrophobicContact SD-CZ 3.54Å; M145-F149 VanDerWaalsContact SD-CZ 3.54Å; A146-F149 PolarHBondContact O-N 3.43Å; F149-G153 VanDerWaalsContact O-CA 3.28Å; F149-G153 WeakPolarHBondContact O-CA 3.17Å; F149-G153 PolarHBondContact O-N 2.92Å; F149-G460 WeakPolarHBondContact CD2-O 3.31Å |
| 150 | R | 92.2 | Very high | 86.9 | Confident | 81 Ų | 81 | 50.5 Ų | 50.5 | 31% | 0.306 | 25% | 0.252 | S | S | . | . | H | α-helix | trans | -60.1 | -53.7 | 174.9 | -70.5 | 165.1 | -175.1 | 160.9 | 0.8 | 111.3 | A146 N147 T148 G153 S154 L458 I459 | A146-R150 VanDerWaalsContact O-CG 3.22Å; A146-R150 WeakPolarHBondContact O-CG 3.29Å; A146-R150 PolarHBondContact O-N 3.27Å; N147-R150 PolarHBondContact O-N 3.18Å; N147-R150 PolarHBondContact OD1-NH1 2.97Å; T148-R150 VanDerWaalsContact C-N 3.3Å; T148-R150 PolarHBondContact O-N 2.83Å; R150-G153 PolarHBondContact O-N 2.88Å; R150-S154 PolarHBondContact O-N 2.74Å; R150-S154 PolarHBondContact O-OG 2.87Å; R150-L458 PolarHBondContact NE-O 2.88Å; R150-L458 PolarHBondContact NH2-O 3.01Å; R150-I459 PolarHBondContact NH2-O 3.23Å |
| 151 | I | 92.3 | Very high | 88.2 | Confident | 76 Ų | 76 | 47.6 Ų | 47.6 | 39% | 0.39 | 24% | 0.242 | S | C | . | . | H | α-helix | trans | -63.6 | -54.3 | -175.5 | -63.2 | -177.8 | 0 | 0 | 0 | 111.1 | F134 N147 T148 G153 S154 F155 | F134-I151 HydrophobicContact CE2-CD1 3.6Å; F134-I151 HydrophobicContact CZ-CD1 3.8Å; N147-I151 PolarHBondContact O-N 3.09Å; T148-I151 PolarHBondContact O-N 3.02Å; I151-G153 VanDerWaalsContact C-N 3.31Å; I151-G153 PolarHBondContact O-N 2.89Å; I151-S154 PolarHBondContact O-N 2.77Å; I151-F155 HydrophobicContact CG2-CD2 3.87Å; I151-F155 HydrophobicContact CG2-CE2 3.51Å; I151-F155 WeakPolarHBondContact O-CD2 3.5Å; I151-F155 PolarHBondContact O-N 2.86Å |
| 152 | Y | 93.4 | Very high | 89.3 | Confident | 58 Ų | 58 | 49.5 Ų | 49.5 | 23% | 0.227 | 25% | 0.249 | C | C | . | . | H | α-helix | trans | -67.2 | -33.9 | -178.9 | -73.7 | -79.6 | 0 | 0 | 0 | 112 | L124 P132 T148 F155 L156 | L124-Y152 HydrophobicContact CD1-CD2 3.89Å; L124-Y152 HydrophobicContact CD1-CE2 4.39Å; L124-Y152 HydrophobicContact CD1-CG 4.37Å; L124-Y152 HydrophobicContact CD2-CD2 4.27Å; L124-Y152 HydrophobicContact CD2-CE2 4.18Å; P132-Y152 PolarHBondContact O-OH 2.88Å; P132-Y152 VanDerWaalsContact O-OH 3.07Å; T148-Y152 HydrophobicContact CG2-CD2 3.69Å; T148-Y152 HydrophobicContact CG2-CE2 3.72Å; T148-Y152 WeakPolarHBondContact O-CD2 3.32Å; T148-Y152 PolarHBondContact O-N 3.27Å; T148-Y152 VanDerWaalsContact O-N 3.16Å; Y152-F155 PolarHBondContact O-N 3.01Å; Y152-L156 PolarHBondContact O-N 2.87Å |
| 153 | G | 93.2 | Very high | 90.2 | Very high | 0 Ų | 0 | 46 Ų | 46 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -61.6 | -47.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 112.4 | V116 F149 R150 I151 F155 L156 L157 | V116-G153 VanDerWaalsContact CG1-O 3.31Å; V116-G153 WeakPolarHBondContact CG1-O 3.35Å; F149-G153 VanDerWaalsContact O-CA 3.28Å; F149-G153 WeakPolarHBondContact O-CA 3.17Å; F149-G153 PolarHBondContact O-N 2.92Å; R150-G153 PolarHBondContact O-N 2.88Å; I151-G153 VanDerWaalsContact C-N 3.31Å; I151-G153 PolarHBondContact O-N 2.89Å; G153-F155 VanDerWaalsContact C-N 3.33Å; G153-F155 PolarHBondContact O-N 2.82Å; G153-L156 PolarHBondContact O-N 2.8Å; G153-L157 WeakPolarHBondContact O-CB 3.17Å; G153-L157 PolarHBondContact O-N 2.84Å |
| 154 | S | 94.4 | Very high | 90.7 | Very high | 24 Ų | 24 | 42 Ų | 42 | 17% | 0.168 | 21% | 0.206 | C | C | . | . | H | α-helix | trans | -60.5 | -41.8 | 176.1 | -60.7 | 0 | 0 | 0 | 0 | 111.8 | R150 I151 L157 V158 E454 | R150-S154 PolarHBondContact O-N 2.74Å; R150-S154 PolarHBondContact O-OG 2.87Å; I151-S154 PolarHBondContact O-N 2.77Å; S154-L157 PolarHBondContact O-N 2.87Å; S154-V158 VanDerWaalsContact O-CG2 3.3Å; S154-V158 WeakPolarHBondContact O-CG2 3.39Å; S154-V158 PolarHBondContact O-N 2.81Å; S154-E454 VanDerWaalsContact CB-OE1 3.3Å; S154-E454 WeakPolarHBondContact CB-OE1 3.36Å; S154-E454 PolarHBondContact OG-OE1 2.87Å; S154-E454 PolarHBondContact OG-OE2 3.48Å |
| 155 | F | 94.6 | Very high | 90.9 | Very high | 147 Ų | 147 | 41.6 Ų | 41.6 | 65% | 0.645 | 21% | 0.206 | S | C | * | . | H | α-helix | trans | -62.3 | -45.1 | 175.4 | -76.8 | -60.3 | 0 | 0 | 0 | 112.5 | I151 Y152 G153 V158 F159 | I151-F155 HydrophobicContact CG2-CD2 3.87Å; I151-F155 HydrophobicContact CG2-CE2 3.51Å; I151-F155 WeakPolarHBondContact O-CD2 3.5Å; I151-F155 PolarHBondContact O-N 2.86Å; Y152-F155 PolarHBondContact O-N 3.01Å; G153-F155 VanDerWaalsContact C-N 3.33Å; G153-F155 PolarHBondContact O-N 2.82Å; F155-V158 PolarHBondContact O-N 3.05Å; F155-F159 PolarHBondContact O-N 2.59Å |
| 156 | L | 94.6 | Very high | 91 | Very high | 26 Ų | 26 | 44.1 Ų | 44.1 | 14% | 0.136 | 23% | 0.23 | C | C | . | . | H | α-helix | trans | -66 | -38.6 | 177.9 | -177.8 | 61.3 | 0 | 0 | 0 | 111.8 | V116 N119 I120 Y152 G153 F159 M160 F404 | V116-L156 HydrophobicContact CG1-CB 4.16Å; V116-L156 HydrophobicContact CG1-CD2 4.14Å; V116-L156 HydrophobicContact CG1-CG 4.29Å; N119-L156 HydrophobicContact CB-CD2 3.91Å; N119-L156 WeakPolarHBondContact OD1-CD2 3.33Å; I120-L156 HydrophobicContact CD1-CB 4.06Å; I120-L156 HydrophobicContact CD1-CD2 3.76Å; I120-L156 HydrophobicContact CG1-CB 4.44Å; I120-L156 HydrophobicContact CG1-CD2 4Å; Y152-L156 PolarHBondContact O-N 2.87Å; G153-L156 PolarHBondContact O-N 2.8Å; L156-F159 HydrophobicContact CD1-CD1 4.43Å; L156-F159 WeakPolarHBondContact O-CB 3.47Å; L156-F159 PolarHBondContact O-N 2.74Å; L156-M160 HydrophobicContact CD2-CE 4.34Å; L156-M160 HydrophobicContact CG-CE 4.26Å; L156-M160 WeakPolarHBondContact O-CG 3.26Å; L156-M160 PolarHBondContact O-N 3.17Å; L156-F404 HydrophobicContact CD1-CD2 4.24Å; L156-F404 HydrophobicContact CD1-CE2 4.17Å |
| 157 | L | 95.4 | Very high | 90.5 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.231 | C | C | . | . | H | α-helix | trans | -63.9 | -41.8 | 175.9 | -176 | 68.2 | 0 | 0 | 0 | 111.6 | T112 V116 G153 S154 F159 M160 F161 Y450 A453 E454 I457 | T112-L157 HydrophobicContact CG2-CD1 3.82Å; V116-L157 HydrophobicContact CG1-CB 4.44Å; V116-L157 HydrophobicContact CG2-CD1 4.23Å; G153-L157 WeakPolarHBondContact O-CB 3.17Å; G153-L157 PolarHBondContact O-N 2.84Å; S154-L157 PolarHBondContact O-N 2.87Å; L157-F159 VanDerWaalsContact C-N 3.31Å; L157-F159 PolarHBondContact O-N 3.43Å; L157-M160 PolarHBondContact O-N 3.34Å; L157-F161 WeakPolarHBondContact O-CB 3.21Å; L157-F161 PolarHBondContact O-N 3.45Å; L157-Y450 HydrophobicContact CB-CE2 4.4Å; L157-Y450 HydrophobicContact CD1-CD2 4.44Å; L157-Y450 HydrophobicContact CD2-CD2 3.67Å; L157-Y450 HydrophobicContact CD2-CE2 3.64Å; L157-Y450 HydrophobicContact CG-CD2 3.68Å; L157-Y450 HydrophobicContact CG-CE2 3.67Å; L157-A453 HydrophobicContact CD1-CB 4.03Å; L157-A453 HydrophobicContact CD2-CB 3.83Å; L157-E454 HydrophobicContact CD2-CB 4.02Å; L157-E454 WeakPolarHBondContact CD2-OE2 3.38Å; L157-I457 HydrophobicContact CB-CD1 3.73Å; L157-I457 HydrophobicContact CD2-CD1 3.68Å; L157-I457 HydrophobicContact CG-CD1 4.14Å |
| 158 | V | 95.4 | Very high | 89.6 | Confident | 56 Ų | 56 | 41.4 Ų | 41.4 | 34% | 0.339 | 22% | 0.217 | S | C | . | . | H | α-helix | trans | -59.5 | -44.4 | 174 | 170.2 | 0 | 0 | 0 | 0 | 110.6 | S154 F155 F161 L162 Y450 | S154-V158 VanDerWaalsContact O-CG2 3.3Å; S154-V158 WeakPolarHBondContact O-CG2 3.39Å; S154-V158 PolarHBondContact O-N 2.81Å; F155-V158 PolarHBondContact O-N 3.05Å; V158-F161 WeakPolarHBondContact O-CB 3.42Å; V158-F161 PolarHBondContact O-N 3.2Å; V158-L162 HydrophobicContact CG1-CD1 4.32Å; V158-L162 WeakPolarHBondContact O-CG 3.21Å; V158-L162 PolarHBondContact O-N 3.34Å; V158-Y450 HydrophobicContact CG2-CE2 4.06Å; V158-Y450 VanDerWaalsContact CG2-OH 3.23Å; V158-Y450 WeakPolarHBondContact CG2-OH 3.4Å |
| 159 | F | 93.9 | Very high | 88.7 | Confident | 111 Ų | 111 | 51 Ų | 51 | 49% | 0.487 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -61.2 | -47.7 | 176.3 | 178.6 | -105.9 | 0 | 0 | 0 | 111.9 | F155 L156 L157 F161 L162 V163 F404 | F155-F159 PolarHBondContact O-N 2.59Å; L156-F159 HydrophobicContact CD1-CD1 4.43Å; L156-F159 WeakPolarHBondContact O-CB 3.47Å; L156-F159 PolarHBondContact O-N 2.74Å; L157-F159 VanDerWaalsContact C-N 3.31Å; L157-F159 PolarHBondContact O-N 3.43Å; F159-F161 VanDerWaalsContact C-N 3.32Å; F159-F161 PolarHBondContact O-N 3.21Å; F159-L162 PolarHBondContact O-N 2.89Å; F159-V163 HydrophobicContact CD1-CG2 4.47Å; F159-V163 HydrophobicContact CE1-CG2 4.1Å; F159-V163 HydrophobicContact CE2-CG2 4.36Å; F159-V163 HydrophobicContact CZ-CG2 4.04Å; F159-V163 WeakPolarHBondContact O-CG2 3.2Å; F159-V163 PolarHBondContact O-N 3.19Å; F159-F404 AromaticContact CD1-CE2 3.99Å; F159-F404 HydrophobicContact CD1-CE2 3.99Å; F159-F404 HydrophobicContact CD1-CZ 4.21Å; F159-F404 AromaticContact CE1-CE2 3.93Å; F159-F404 HydrophobicContact CE1-CE2 3.93Å; F159-F404 AromaticContact CE1-CZ 3.77Å; F159-F404 HydrophobicContact CE1-CZ 3.77Å |
| 160 | M | 93.4 | Very high | 87.9 | Confident | 0 Ų | 0 | 55.5 Ų | 55.5 | 0% | 0 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -58.9 | -42.5 | 175.2 | -75.1 | -170.4 | 179.4 | 0 | 0 | 112.2 | V116 L156 L157 L162 V163 V164 F404 L408 L411 | V116-M160 HydrophobicContact CG2-CE 4.03Å; V116-M160 HydrophobicContact CG2-SD 3.6Å; V116-M160 VanDerWaalsContact CG2-SD 3.6Å; L156-M160 HydrophobicContact CD2-CE 4.34Å; L156-M160 HydrophobicContact CG-CE 4.26Å; L156-M160 WeakPolarHBondContact O-CG 3.26Å; L156-M160 PolarHBondContact O-N 3.17Å; L157-M160 PolarHBondContact O-N 3.34Å; M160-L162 VanDerWaalsContact C-N 3.34Å; M160-L162 PolarHBondContact O-N 2.98Å; M160-V163 PolarHBondContact O-N 3.45Å; M160-V164 WeakPolarHBondContact O-CG2 3.45Å; M160-V164 PolarHBondContact O-N 3.45Å; M160-F404 HydrophobicContact CE-CB 4.27Å; M160-F404 HydrophobicContact CE-CD2 3.27Å; M160-F404 HydrophobicContact CE-CE2 3.75Å; M160-F404 HydrophobicContact CE-CG 3.98Å; M160-F404 HydrophobicContact CG-CD2 4.37Å; M160-F404 HydrophobicContact CG-CE2 3.86Å; M160-L408 HydrophobicContact CB-CD2 3.74Å; M160-L408 HydrophobicContact CG-CD2 3.78Å; M160-L408 HydrophobicContact CG-CG 4.18Å; M160-L408 HydrophobicContact SD-CD2 4.47Å; M160-L408 HydrophobicContact SD-CG 4.43Å; M160-L411 HydrophobicContact CB-CD2 4.42Å |
| 161 | F | 92.5 | Very high | 87 | Confident | 24 Ų | 24 | 51.9 Ų | 51.9 | 11% | 0.105 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -59.5 | -43.7 | 176.5 | 172.2 | -98.8 | 0 | 0 | 0 | 111.9 | L157 V158 F159 V164 C165 F443 L446 L447 Y450 | L157-F161 WeakPolarHBondContact O-CB 3.21Å; L157-F161 PolarHBondContact O-N 3.45Å; V158-F161 WeakPolarHBondContact O-CB 3.42Å; V158-F161 PolarHBondContact O-N 3.2Å; F159-F161 VanDerWaalsContact C-N 3.32Å; F159-F161 PolarHBondContact O-N 3.21Å; F161-V164 PolarHBondContact O-N 3.38Å; F161-C165 VanDerWaalsContact CZ-SG 3.56Å; F161-C165 WeakPolarHBondContact O-CB 3.4Å; F161-C165 PolarHBondContact O-N 2.89Å; F161-C165 PolarHBondContact O-SG 2.98Å; F161-F443 HydrophobicContact CE1-CE2 4.46Å; F161-F443 AromaticContact CZ-CE2 3.87Å; F161-F443 HydrophobicContact CZ-CE2 3.87Å; F161-F443 HydrophobicContact CZ-CZ 4.15Å; F161-L446 HydrophobicContact CD2-CD2 4.03Å; F161-L446 HydrophobicContact CD2-CG 3.82Å; F161-L446 HydrophobicContact CE2-CB 4.44Å; F161-L446 HydrophobicContact CE2-CD2 3.89Å; F161-L446 HydrophobicContact CE2-CG 3.69Å; F161-L447 HydrophobicContact CZ-CD1 4.24Å; F161-Y450 HydrophobicContact CB-CD2 3.82Å; F161-Y450 HydrophobicContact CB-CE2 4.32Å; F161-Y450 HydrophobicContact CB-CG 4.49Å; F161-Y450 HydrophobicContact CD2-CD2 4.13Å; F161-Y450 AromaticContact CD2-CG 3.94Å; F161-Y450 HydrophobicContact CD2-CG 3.94Å; F161-Y450 HydrophobicContact CE2-CG 4.43Å; F161-Y450 HydrophobicContact CG-CD2 4.04Å; F161-Y450 HydrophobicContact CG-CG 4.24Å |
| 162 | L | 91.5 | Very high | 86.1 | Confident | 103 Ų | 103 | 51.3 Ų | 51.3 | 54% | 0.539 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -64.3 | -40.1 | 176.6 | -68.6 | 174.8 | 0 | 0 | 0 | 112.1 | V158 F159 M160 C165 A166 | V158-L162 HydrophobicContact CG1-CD1 4.32Å; V158-L162 WeakPolarHBondContact O-CG 3.21Å; V158-L162 PolarHBondContact O-N 3.34Å; F159-L162 PolarHBondContact O-N 2.89Å; M160-L162 VanDerWaalsContact C-N 3.34Å; M160-L162 PolarHBondContact O-N 2.98Å; L162-C165 WeakPolarHBondContact O-CB 3.26Å; L162-C165 PolarHBondContact O-N 3.2Å; L162-A166 PolarHBondContact O-N 2.66Å |
| 163 | V | 89.5 | Confident | 85.2 | Confident | 25 Ų | 25 | 54.2 Ų | 54.2 | 15% | 0.152 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -62.6 | -45.9 | 176 | 173.2 | 0 | 0 | 0 | 0 | 111 | F159 M160 C165 A166 L408 | F159-V163 HydrophobicContact CD1-CG2 4.47Å; F159-V163 HydrophobicContact CE1-CG2 4.1Å; F159-V163 HydrophobicContact CE2-CG2 4.36Å; F159-V163 HydrophobicContact CZ-CG2 4.04Å; F159-V163 WeakPolarHBondContact O-CG2 3.2Å; F159-V163 PolarHBondContact O-N 3.19Å; M160-V163 PolarHBondContact O-N 3.45Å; V163-C165 VanDerWaalsContact C-N 3.31Å; V163-C165 PolarHBondContact O-N 2.57Å; V163-A166 PolarHBondContact O-N 3.02Å; V163-L408 HydrophobicContact CB-CD2 4.15Å; V163-L408 HydrophobicContact CG1-CD1 4.36Å; V163-L408 HydrophobicContact CG1-CD2 4.08Å |
| 164 | V | 87.7 | Confident | 84.5 | Confident | 7 Ų | 7 | 58.6 Ų | 58.6 | 4% | 0.042 | 29% | 0.292 | C | S | . | . | H | α-helix | trans | -66.8 | -34.2 | 177.3 | -179.4 | 0 | 0 | 0 | 0 | 111.2 | M160 F161 G167 L408 L411 F412 L446 | M160-V164 WeakPolarHBondContact O-CG2 3.45Å; M160-V164 PolarHBondContact O-N 3.45Å; F161-V164 PolarHBondContact O-N 3.38Å; V164-G167 PolarHBondContact O-N 3.2Å; V164-L408 HydrophobicContact CG2-CD2 3.85Å; V164-L411 HydrophobicContact CG2-CD2 4.26Å; V164-F412 HydrophobicContact CG1-CB 4.23Å; V164-F412 HydrophobicContact CG1-CD2 4.46Å; V164-L446 HydrophobicContact CB-CD1 4.25Å; V164-L446 HydrophobicContact CB-CD2 4.14Å; V164-L446 HydrophobicContact CG1-CD1 3.64Å; V164-L446 HydrophobicContact CG1-CD2 3.78Å; V164-L446 HydrophobicContact CG1-CG 4.37Å |
| 165 | C | 86.1 | Confident | 83.6 | Confident | 34 Ų | 34 | 58 Ų | 58 | 23% | 0.23 | 29% | 0.288 | C | S | . | . | H | α-helix | trans | -64.1 | -36.6 | 173.7 | -74.5 | 0 | 0 | 0 | 0 | 113.3 | F161 L162 V163 G167 L446 | F161-C165 VanDerWaalsContact CZ-SG 3.56Å; F161-C165 WeakPolarHBondContact O-CB 3.4Å; F161-C165 PolarHBondContact O-N 2.89Å; F161-C165 PolarHBondContact O-SG 2.98Å; L162-C165 WeakPolarHBondContact O-CB 3.26Å; L162-C165 PolarHBondContact O-N 3.2Å; V163-C165 VanDerWaalsContact C-N 3.31Å; V163-C165 PolarHBondContact O-N 2.57Å; C165-G167 PolarHBondContact O-N 2.95Å; C165-L446 VanDerWaalsContact SG-CD2 3.51Å |
| 166 | A | 82.4 | Confident | 83 | Confident | 71 Ų | 71 | 54.6 Ų | 54.6 | 59% | 0.587 | 28% | 0.281 | S | S | * | . | H | α-helix | trans | -64.3 | -25.8 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | L162 V163 F170 | L162-A166 PolarHBondContact O-N 2.66Å; V163-A166 PolarHBondContact O-N 3.02Å; A166-F170 HydrophobicContact CB-CD2 4.25Å; A166-F170 HydrophobicContact CB-CE2 4.42Å |
| 167 | G | 71.3 | Confident | 82.6 | Confident | 13 Ų | 13 | 58.2 Ų | 58.2 | 13% | 0.134 | 30% | 0.299 | C | S | . | . | trans | 140.5 | 151.3 | 165.7 | 0 | 0 | 0 | 0 | 0 | 113.4 | V164 C165 R169 F170 | V164-G167 PolarHBondContact O-N 3.2Å; C165-G167 PolarHBondContact O-N 2.95Å; G167-R169 PolarHBondContact O-N 2.99Å; G167-F170 WeakPolarHBondContact O-CB 3.41Å; G167-F170 PolarHBondContact O-N 3.37Å | ||
| 168 | V | 68.3 | Low | 82.2 | Confident | 5 Ų | 5 | 58.6 Ų | 58.6 | 3% | 0.03 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -64.7 | -26.2 | -174 | 175.8 | 0 | 0 | 0 | 0 | 113.1 | F170 T171 Q172 F412 E441 | V168-F170 PolarHBondContact O-N 3.35Å; V168-T171 PolarHBondContact O-N 3.4Å; V168-Q172 HydrophobicContact CG1-CG 4.07Å; V168-Q172 WeakPolarHBondContact O-CG 3.4Å; V168-Q172 PolarHBondContact O-N 3.23Å; V168-F412 HydrophobicContact CB-CD2 4.46Å; V168-F412 HydrophobicContact CB-CE2 3.85Å; V168-F412 HydrophobicContact CB-CZ 4.23Å; V168-F412 HydrophobicContact CG1-CD2 4.15Å; V168-F412 HydrophobicContact CG1-CE1 4.01Å; V168-F412 HydrophobicContact CG1-CE2 3.36Å; V168-F412 HydrophobicContact CG1-CZ 3.24Å; V168-F412 HydrophobicContact CG2-CD2 3.63Å; V168-F412 HydrophobicContact CG2-CE2 3.13Å; V168-F412 HydrophobicContact CG2-CZ 3.97Å; V168-E441 WeakPolarHBondContact CG2-OE1 3.34Å; V168-E441 WeakPolarHBondContact CG2-OE2 3.43Å |
| 169 | R | 70.9 | Confident | 81.8 | Confident | 204 Ų | 204 | 56.2 Ų | 56.2 | 77% | 0.77 | 29% | 0.287 | S | S | * | . | H | α-helix | trans | -57.4 | -37.9 | 174.6 | -68.5 | -175 | 179.7 | 176.3 | -1 | 111.5 | G167 M173 | G167-R169 PolarHBondContact O-N 2.99Å; R169-M173 WeakPolarHBondContact O-CG 3.48Å; R169-M173 PolarHBondContact O-N 3.07Å |
| 170 | F | 73.2 | Confident | 81.6 | Confident | 101 Ų | 101 | 53.5 Ų | 53.5 | 44% | 0.443 | 29% | 0.285 | S | S | . | . | H | α-helix | trans | -66.6 | -48.7 | 177.1 | -69.7 | -75 | 0 | 0 | 0 | 110.9 | A166 G167 V168 Q172 M173 F174 | A166-F170 HydrophobicContact CB-CD2 4.25Å; A166-F170 HydrophobicContact CB-CE2 4.42Å; G167-F170 WeakPolarHBondContact O-CB 3.41Å; G167-F170 PolarHBondContact O-N 3.37Å; V168-F170 PolarHBondContact O-N 3.35Å; F170-Q172 VanDerWaalsContact C-N 3.29Å; F170-Q172 PolarHBondContact O-N 3.25Å; F170-M173 HydrophobicContact CD1-CE 4.11Å; F170-M173 HydrophobicContact CE1-CE 4.43Å; F170-M173 PolarHBondContact O-N 2.7Å; F170-F174 WeakPolarHBondContact O-CD2 3.3Å; F170-F174 PolarHBondContact O-N 3.03Å |
| 171 | T | 73.7 | Confident | 81.4 | Confident | 4 Ų | 4 | 55.7 Ų | 55.7 | 3% | 0.025 | 30% | 0.3 | C | S | . | . | H | α-helix | trans | -56.3 | -43.1 | 177.2 | -49.3 | 0 | 0 | 0 | 0 | 112 | V168 M173 F174 A175 L408 F412 | V168-T171 PolarHBondContact O-N 3.4Å; T171-M173 VanDerWaalsContact C-N 3.35Å; T171-M173 PolarHBondContact O-N 2.79Å; T171-F174 PolarHBondContact O-N 3.12Å; T171-A175 PolarHBondContact O-N 3.31Å; T171-L408 HydrophobicContact CG2-CB 4.17Å; T171-F412 HydrophobicContact CG2-CB 4.42Å |
| 172 | Q | 71.9 | Confident | 81.3 | Confident | 64 Ų | 64 | 54.5 Ų | 54.5 | 30% | 0.299 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -68.4 | -29.6 | 177.6 | -71.6 | 178.5 | -23.2 | 0 | 0 | 113.4 | V168 F170 P176 | V168-Q172 HydrophobicContact CG1-CG 4.07Å; V168-Q172 WeakPolarHBondContact O-CG 3.4Å; V168-Q172 PolarHBondContact O-N 3.23Å; F170-Q172 VanDerWaalsContact C-N 3.29Å; F170-Q172 PolarHBondContact O-N 3.25Å; Q172-P176 VanDerWaalsContact O-CD 3.26Å; Q172-P176 WeakPolarHBondContact O-CD 3.12Å |
| 173 | M | 75.8 | Confident | 81.3 | Confident | 119 Ų | 119 | 54 Ų | 54 | 59% | 0.586 | 29% | 0.292 | S | S | * | . | H | α-helix | trans | -74.2 | -33 | 174.1 | -74.2 | -159.9 | -58.6 | 0 | 0 | 112.7 | R169 F170 T171 A175 P176 | R169-M173 WeakPolarHBondContact O-CG 3.48Å; R169-M173 PolarHBondContact O-N 3.07Å; F170-M173 HydrophobicContact CD1-CE 4.11Å; F170-M173 HydrophobicContact CE1-CE 4.43Å; F170-M173 PolarHBondContact O-N 2.7Å; T171-M173 VanDerWaalsContact C-N 3.35Å; T171-M173 PolarHBondContact O-N 2.79Å; M173-A175 VanDerWaalsContact C-N 3.34Å; M173-P176 WeakPolarHBondContact O-CD 3.39Å; M173-P176 WeakPolarHBondContact O-CG 3.37Å |
| 174 | F | 78.6 | Confident | 81.5 | Confident | 93 Ų | 93 | 56.9 Ų | 56.9 | 41% | 0.408 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -72.7 | -26.5 | 176.5 | -81.3 | -71.6 | 0 | 0 | 0 | 113.3 | F170 T171 I177 S178 | F170-F174 WeakPolarHBondContact O-CD2 3.3Å; F170-F174 PolarHBondContact O-N 3.03Å; T171-F174 PolarHBondContact O-N 3.12Å; F174-I177 PolarHBondContact O-N 3.3Å; F174-S178 PolarHBondContact O-N 3.33Å; F174-S178 PolarHBondContact O-OG 2.82Å |
| 175 | A | 76.1 | Confident | 81.7 | Confident | 12 Ų | 12 | 56.7 Ų | 56.7 | 10% | 0.099 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -50 | -59.3 | 179.5 | 0 | 0 | 0 | 0 | 0 | 114.3 | Q29 T171 M173 I177 S178 L179 | Q29-A175 VanDerWaalsContact OE1-CA 3.28Å; Q29-A175 PolarHBondContact OE1-O 3.04Å; T171-A175 PolarHBondContact O-N 3.31Å; M173-A175 VanDerWaalsContact C-N 3.34Å; A175-I177 VanDerWaalsContact C-N 3.29Å; A175-I177 PolarHBondContact O-N 3.38Å; A175-S178 PolarHBondContact O-N 3.02Å; A175-S178 PolarHBondContact O-OG 3.22Å; A175-L179 PolarHBondContact O-N 2.83Å |
| 176 | P | 81.6 | Confident | 81.9 | Confident | 75 Ų | 75 | 55.7 Ų | 55.7 | 49% | 0.487 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -63.7 | -32.8 | 179.7 | 25.8 | -35.9 | 0 | 0 | 0 | 113.1 | Q172 M173 L179 A180 | Q172-P176 VanDerWaalsContact O-CD 3.26Å; Q172-P176 WeakPolarHBondContact O-CD 3.12Å; M173-P176 WeakPolarHBondContact O-CD 3.39Å; M173-P176 WeakPolarHBondContact O-CG 3.37Å; P176-L179 PolarHBondContact O-N 2.64Å; P176-A180 WeakPolarHBondContact O-CB 3.31Å; P176-A180 PolarHBondContact O-N 2.97Å |
| 177 | I | 86 | Confident | 82.5 | Confident | 102 Ų | 102 | 54.2 Ų | 54.2 | 52% | 0.523 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.5 | -49.3 | 177.6 | -59.5 | 173.4 | 0 | 0 | 0 | 109.7 | F174 A175 L179 A180 C181 | F174-I177 PolarHBondContact O-N 3.3Å; A175-I177 VanDerWaalsContact C-N 3.29Å; A175-I177 PolarHBondContact O-N 3.38Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.44Å; I177-A180 PolarHBondContact O-N 3.32Å; I177-C181 PolarHBondContact O-N 3.39Å; I177-C181 PolarHBondContact O-SG 2.84Å |
| 178 | S | 86.2 | Confident | 83.5 | Confident | 7 Ų | 7 | 53.9 Ų | 53.9 | 5% | 0.049 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -61.4 | -41.2 | 178 | 68.5 | 0 | 0 | 0 | 0 | 112.1 | Q29 F174 A175 C181 V182 A401 | Q29-S178 VanDerWaalsContact CD-OG 3.29Å; Q29-S178 PolarHBondContact NE2-OG 3.32Å; F174-S178 PolarHBondContact O-N 3.33Å; F174-S178 PolarHBondContact O-OG 2.82Å; A175-S178 PolarHBondContact O-N 3.02Å; A175-S178 PolarHBondContact O-OG 3.22Å; S178-C181 WeakPolarHBondContact O-CB 3.25Å; S178-C181 PolarHBondContact O-N 3.14Å; S178-V182 WeakPolarHBondContact O-CG2 3.12Å; S178-V182 PolarHBondContact O-N 3.42Å; S178-V182 VanDerWaalsContact O-N 3.07Å; S178-A401 WeakPolarHBondContact CB-O 3.23Å |
| 179 | L | 86.7 | Confident | 84.6 | Confident | 6 Ų | 6 | 53.7 Ų | 53.7 | 3% | 0.031 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -67.1 | -38.1 | 178.4 | -177.7 | 62.3 | 0 | 0 | 0 | 112.3 | L25 I28 Q29 A175 P176 I177 C181 V182 I183 | L25-L179 HydrophobicContact CB-CD2 3.65Å; L25-L179 HydrophobicContact CD2-CD2 3.49Å; L25-L179 VanDerWaalsContact CD2-CD2 3.49Å; L25-L179 HydrophobicContact CG-CD2 4.04Å; I28-L179 HydrophobicContact CG2-CD1 3.79Å; Q29-L179 HydrophobicContact CB-CD1 4.26Å; Q29-L179 HydrophobicContact CG-CB 4.41Å; A175-L179 PolarHBondContact O-N 2.83Å; P176-L179 PolarHBondContact O-N 2.64Å; I177-L179 VanDerWaalsContact C-N 3.32Å; I177-L179 PolarHBondContact O-N 3.44Å; L179-C181 VanDerWaalsContact C-N 3.31Å; L179-C181 PolarHBondContact O-N 3.24Å; L179-V182 WeakPolarHBondContact O-CB 3.42Å; L179-V182 PolarHBondContact O-N 3.08Å; L179-I183 HydrophobicContact CD1-CD1 4.33Å; L179-I183 HydrophobicContact CD1-CG1 4.35Å; L179-I183 HydrophobicContact CG-CD1 3.98Å; L179-I183 HydrophobicContact CG-CG1 4.43Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.01Å |
| 180 | A | 90.2 | Very high | 85.6 | Confident | 54 Ų | 54 | 46.4 Ų | 46.4 | 45% | 0.446 | 26% | 0.255 | S | S | . | . | H | α-helix | trans | -59.6 | -44.1 | 174.9 | 0 | 0 | 0 | 0 | 0 | 111 | P176 I177 V182 I183 V184 | P176-A180 WeakPolarHBondContact O-CB 3.31Å; P176-A180 PolarHBondContact O-N 2.97Å; I177-A180 PolarHBondContact O-N 3.32Å; A180-V182 VanDerWaalsContact C-N 3.35Å; A180-V182 PolarHBondContact O-N 3.49Å; A180-I183 PolarHBondContact O-N 3.32Å; A180-V184 WeakPolarHBondContact O-CG2 3.34Å; A180-V184 PolarHBondContact O-N 3.23Å |
| 181 | C | 90.1 | Very high | 86.5 | Confident | 46 Ų | 46 | 45.2 Ų | 45.2 | 31% | 0.311 | 25% | 0.253 | S | S | . | . | H | α-helix | trans | -59.4 | -44.8 | 173.9 | -63.1 | 0 | 0 | 0 | 0 | 111.7 | I177 S178 L179 I183 V184 S185 A401 | I177-C181 PolarHBondContact O-N 3.39Å; I177-C181 PolarHBondContact O-SG 2.84Å; S178-C181 WeakPolarHBondContact O-CB 3.25Å; S178-C181 PolarHBondContact O-N 3.14Å; L179-C181 VanDerWaalsContact C-N 3.31Å; L179-C181 PolarHBondContact O-N 3.24Å; C181-I183 PolarHBondContact O-N 3.06Å; C181-V184 PolarHBondContact O-N 3.29Å; C181-S185 PolarHBondContact O-N 2.66Å; C181-S185 PolarHBondContact O-OG 3.18Å; C181-A401 HydrophobicContact CB-CB 3.87Å |
| 182 | V | 89.9 | Confident | 87.3 | Confident | 0 Ų | 0 | 45.1 Ų | 45.1 | 0% | 0 | 25% | 0.252 | C | S | . | . | H | α-helix | trans | -60.4 | -45.3 | 178.1 | 170.6 | 0 | 0 | 0 | 0 | 112.3 | F32 F37 S178 L179 A180 V184 S185 I186 S402 | F32-V182 HydrophobicContact CB-CG1 3.92Å; F32-V182 HydrophobicContact CD2-CG1 3.7Å; F32-V182 HydrophobicContact CG-CG1 4.15Å; F37-V182 HydrophobicContact CZ-CG1 4.18Å; S178-V182 WeakPolarHBondContact O-CG2 3.12Å; S178-V182 PolarHBondContact O-N 3.42Å; S178-V182 VanDerWaalsContact O-N 3.07Å; L179-V182 WeakPolarHBondContact O-CB 3.42Å; L179-V182 PolarHBondContact O-N 3.08Å; A180-V182 VanDerWaalsContact C-N 3.35Å; A180-V182 PolarHBondContact O-N 3.49Å; V182-V184 VanDerWaalsContact C-N 3.33Å; V182-V184 PolarHBondContact O-N 2.59Å; V182-S185 PolarHBondContact O-N 3.14Å; V182-I186 HydrophobicContact CG1-CD1 3.79Å; V182-I186 HydrophobicContact CG1-CG1 4.41Å; V182-I186 WeakPolarHBondContact O-CG1 3.39Å; V182-I186 PolarHBondContact O-N 3.2Å; V182-S402 VanDerWaalsContact CG2-OG 3.23Å; V182-S402 WeakPolarHBondContact CG2-OG 3.35Å |
| 183 | I | 91.5 | Very high | 88.2 | Confident | 92 Ų | 92 | 42.1 Ų | 42.1 | 47% | 0.472 | 24% | 0.238 | S | C | . | . | H | α-helix | trans | -63.1 | -42.9 | 179.4 | -68 | 168.1 | 0 | 0 | 0 | 110.4 | L179 A180 C181 S185 I186 A187 | L179-I183 HydrophobicContact CD1-CD1 4.33Å; L179-I183 HydrophobicContact CD1-CG1 4.35Å; L179-I183 HydrophobicContact CG-CD1 3.98Å; L179-I183 HydrophobicContact CG-CG1 4.43Å; L179-I183 WeakPolarHBondContact O-CG1 3.34Å; L179-I183 PolarHBondContact O-N 3.01Å; A180-I183 PolarHBondContact O-N 3.32Å; C181-I183 PolarHBondContact O-N 3.06Å; I183-S185 VanDerWaalsContact C-N 3.32Å; I183-S185 PolarHBondContact O-N 2.82Å; I183-I186 PolarHBondContact O-N 2.94Å; I183-A187 WeakPolarHBondContact O-CB 3.48Å; I183-A187 PolarHBondContact O-N 3.42Å |
| 184 | V | 92.9 | Very high | 88.8 | Confident | 86 Ų | 86 | 43.2 Ų | 43.2 | 52% | 0.521 | 24% | 0.24 | S | C | . | . | H | α-helix | trans | -61.2 | -42.3 | 175.3 | 172.2 | 0 | 0 | 0 | 0 | 110.8 | A180 C181 V182 A187 S188 | A180-V184 WeakPolarHBondContact O-CG2 3.34Å; A180-V184 PolarHBondContact O-N 3.23Å; C181-V184 PolarHBondContact O-N 3.29Å; V182-V184 VanDerWaalsContact C-N 3.33Å; V182-V184 PolarHBondContact O-N 2.59Å; V184-A187 PolarHBondContact O-N 2.91Å; V184-S188 WeakPolarHBondContact O-CB 3.32Å; V184-S188 PolarHBondContact O-N 3.15Å |
| 185 | S | 91.7 | Very high | 89.3 | Confident | 2 Ų | 2 | 42.5 Ų | 42.5 | 1% | 0.014 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -65.8 | -42.1 | 177.3 | -56 | 0 | 0 | 0 | 0 | 112.6 | C181 V182 I183 A187 S188 V189 T394 G398 | C181-S185 PolarHBondContact O-N 2.66Å; C181-S185 PolarHBondContact O-OG 3.18Å; V182-S185 PolarHBondContact O-N 3.14Å; I183-S185 VanDerWaalsContact C-N 3.32Å; I183-S185 PolarHBondContact O-N 2.82Å; S185-A187 PolarHBondContact O-N 2.8Å; S185-S188 WeakPolarHBondContact CA-OG 3.39Å; S185-S188 PolarHBondContact O-N 3.07Å; S185-S188 PolarHBondContact O-OG 3.03Å; S185-V189 PolarHBondContact O-N 2.99Å; S185-V189 VanDerWaalsContact O-N 3.11Å; S185-T394 PolarHBondContact OG-O 3.01Å; S185-G398 VanDerWaalsContact OG-CA 3.31Å; S185-G398 WeakPolarHBondContact OG-CA 3.42Å |
| 186 | I | 92.1 | Very high | 89.8 | Confident | 13 Ų | 13 | 43 Ų | 43 | 7% | 0.067 | 24% | 0.244 | C | C | . | . | H | α-helix | trans | -61.5 | -46.3 | 175.1 | -68.7 | 167 | 0 | 0 | 0 | 110.6 | F32 M36 F37 V182 I183 S188 V189 Y190 V353 F357 | F32-I186 HydrophobicContact CD2-CD1 3.94Å; F32-I186 HydrophobicContact CE1-CD1 4.46Å; F32-I186 HydrophobicContact CE2-CD1 3.63Å; F32-I186 HydrophobicContact CG-CD1 4.47Å; F32-I186 HydrophobicContact CZ-CD1 3.94Å; M36-I186 HydrophobicContact CE-CD1 4.03Å; M36-I186 HydrophobicContact CE-CG1 3.82Å; F37-I186 HydrophobicContact CE1-CG1 4.45Å; F37-I186 HydrophobicContact CZ-CG1 4.44Å; V182-I186 HydrophobicContact CG1-CD1 3.79Å; V182-I186 HydrophobicContact CG1-CG1 4.41Å; V182-I186 WeakPolarHBondContact O-CG1 3.39Å; V182-I186 PolarHBondContact O-N 3.2Å; I183-I186 PolarHBondContact O-N 2.94Å; I186-S188 VanDerWaalsContact C-N 3.29Å; I186-S188 PolarHBondContact O-N 3.15Å; I186-V189 PolarHBondContact O-N 3.07Å; I186-Y190 HydrophobicContact CG2-CD2 3.76Å; I186-Y190 HydrophobicContact CG2-CE2 3.37Å; I186-Y190 WeakPolarHBondContact O-CD2 3.45Å; I186-Y190 PolarHBondContact O-N 3.15Å; I186-V353 HydrophobicContact CD1-CG1 4.35Å; I186-V353 HydrophobicContact CG2-CG1 4.36Å; I186-F357 HydrophobicContact CB-CZ 4.38Å; I186-F357 HydrophobicContact CG1-CZ 4.22Å; I186-F357 HydrophobicContact CG2-CE2 4.05Å; I186-F357 HydrophobicContact CG2-CZ 4.07Å |
| 187 | A | 93.2 | Very high | 89.8 | Confident | 41 Ų | 41 | 43.5 Ų | 43.5 | 34% | 0.339 | 24% | 0.243 | S | C | . | . | H | α-helix | trans | -61.3 | -38.4 | 176.2 | 0 | 0 | 0 | 0 | 0 | 112 | I183 V184 S185 V189 Y190 I191 | I183-A187 WeakPolarHBondContact O-CB 3.48Å; I183-A187 PolarHBondContact O-N 3.42Å; V184-A187 PolarHBondContact O-N 2.91Å; S185-A187 PolarHBondContact O-N 2.8Å; A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 2.83Å; A187-Y190 PolarHBondContact O-N 3.09Å; A187-I191 VanDerWaalsContact O-CG1 3.32Å; A187-I191 WeakPolarHBondContact O-CG1 3.13Å; A187-I191 PolarHBondContact O-N 3.07Å |
| 188 | S | 92.7 | Very high | 89.5 | Confident | 5 Ų | 5 | 41.6 Ų | 41.6 | 4% | 0.035 | 24% | 0.236 | C | C | . | . | H | α-helix | trans | -63 | -38.1 | 178 | 74.6 | 0 | 0 | 0 | 0 | 113 | V184 S185 I186 G192 W389 | V184-S188 WeakPolarHBondContact O-CB 3.32Å; V184-S188 PolarHBondContact O-N 3.15Å; S185-S188 WeakPolarHBondContact CA-OG 3.39Å; S185-S188 PolarHBondContact O-N 3.07Å; S185-S188 PolarHBondContact O-OG 3.03Å; I186-S188 VanDerWaalsContact C-N 3.29Å; I186-S188 PolarHBondContact O-N 3.15Å; S188-G192 PolarHBondContact O-N 3.07Å; S188-W389 WeakPolarHBondContact CA-O 3.3Å; S188-W389 WeakPolarHBondContact CB-O 3.49Å; S188-W389 PolarHBondContact O-N 3Å |
| 189 | V | 90.9 | Very high | 89.3 | Confident | 1 Ų | 1 | 47.3 Ų | 47.3 | 1% | 0.006 | 27% | 0.271 | C | S | . | . | H | α-helix | trans | -70.4 | -44.6 | 175.1 | 175.1 | 0 | 0 | 0 | 0 | 110.4 | S185 I186 A187 I191 G192 V193 F357 I387 A388 M395 | S185-V189 PolarHBondContact O-N 2.99Å; S185-V189 VanDerWaalsContact O-N 3.11Å; I186-V189 PolarHBondContact O-N 3.07Å; A187-V189 VanDerWaalsContact C-N 3.35Å; A187-V189 PolarHBondContact O-N 2.83Å; V189-I191 PolarHBondContact O-N 2.98Å; V189-G192 PolarHBondContact O-N 3.24Å; V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 VanDerWaalsContact O-CG2 3.24Å; V189-V193 WeakPolarHBondContact O-CG2 3.49Å; V189-V193 PolarHBondContact O-N 3.17Å; V189-F357 HydrophobicContact CB-CZ 4.15Å; V189-F357 HydrophobicContact CG1-CE1 4.32Å; V189-F357 HydrophobicContact CG1-CZ 4.15Å; V189-I387 HydrophobicContact CG1-CG2 4.46Å; V189-A388 HydrophobicContact CG2-CB 4.37Å; V189-M395 HydrophobicContact CG2-CE 3.66Å; V189-M395 HydrophobicContact CG2-SD 4.12Å |
| 190 | Y | 92.8 | Very high | 89.2 | Confident | 52 Ų | 52 | 51.5 Ų | 51.5 | 20% | 0.204 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -59.7 | -47 | 177.6 | -74.1 | -41.3 | 0 | 0 | 0 | 112.6 | I186 A187 G192 F194 S356 F357 F360 | I186-Y190 HydrophobicContact CG2-CD2 3.76Å; I186-Y190 HydrophobicContact CG2-CE2 3.37Å; I186-Y190 WeakPolarHBondContact O-CD2 3.45Å; I186-Y190 PolarHBondContact O-N 3.15Å; A187-Y190 PolarHBondContact O-N 3.09Å; Y190-G192 VanDerWaalsContact C-N 3.33Å; Y190-F194 WeakPolarHBondContact O-CD2 3.47Å; Y190-S356 WeakPolarHBondContact CE1-OG 3.32Å; Y190-S356 PolarHBondContact OH-OG 2.97Å; Y190-F357 HydrophobicContact CD1-CE2 4.21Å; Y190-F357 AromaticContact CE1-CD2 3.86Å; Y190-F357 HydrophobicContact CE1-CD2 3.86Å; Y190-F357 AromaticContact CE1-CE2 3.61Å; Y190-F357 HydrophobicContact CE1-CE2 3.61Å; Y190-F357 HydrophobicContact CE2-CE2 4.3Å; Y190-F357 AromaticContact CZ-CE2 3.71Å; Y190-F360 AromaticContact CD1-CD2 3.69Å; Y190-F360 HydrophobicContact CD1-CD2 3.69Å; Y190-F360 AromaticContact CD1-CE2 3.3Å; Y190-F360 HydrophobicContact CD1-CE2 3.3Å; Y190-F360 HydrophobicContact CD1-CZ 4.41Å; Y190-F360 AromaticContact CE1-CD2 3.7Å; Y190-F360 HydrophobicContact CE1-CD2 3.7Å; Y190-F360 AromaticContact CE1-CE2 3.33Å; Y190-F360 HydrophobicContact CE1-CE2 3.33Å |
| 191 | I | 93 | Very high | 88.9 | Confident | 76 Ų | 76 | 49.6 Ų | 49.6 | 39% | 0.39 | 28% | 0.28 | S | S | . | . | H | α-helix | trans | -63.9 | -44.5 | 176.1 | -64.8 | 165.7 | 0 | 0 | 0 | 109.8 | A187 V189 V193 F194 V195 W389 | A187-I191 VanDerWaalsContact O-CG1 3.32Å; A187-I191 WeakPolarHBondContact O-CG1 3.13Å; A187-I191 PolarHBondContact O-N 3.07Å; V189-I191 PolarHBondContact O-N 2.98Å; I191-V193 VanDerWaalsContact C-N 3.35Å; I191-V193 PolarHBondContact O-N 3.32Å; I191-F194 PolarHBondContact O-N 2.73Å; I191-F194 VanDerWaalsContact O-N 3.1Å; I191-V195 HydrophobicContact CG2-CG2 3.91Å; I191-V195 VanDerWaalsContact O-CG2 3.3Å; I191-V195 WeakPolarHBondContact O-CG2 3.36Å; I191-V195 PolarHBondContact O-N 2.86Å; I191-V195 VanDerWaalsContact O-N 3.07Å; I191-W389 HydrophobicContact CB-CE3 4.48Å; I191-W389 HydrophobicContact CG2-CB 4.28Å; I191-W389 HydrophobicContact CG2-CD2 4.04Å; I191-W389 HydrophobicContact CG2-CE3 3.64Å; I191-W389 HydrophobicContact CG2-CG 4.33Å; I191-W389 HydrophobicContact CG2-CZ3 4.32Å |
| 192 | G | 90.4 | Very high | 88.7 | Confident | 1 Ų | 1 | 48.5 Ų | 48.5 | 1% | 0.01 | 27% | 0.272 | C | S | . | . | H | α-helix | trans | -55.6 | -43.7 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.4 | S188 V189 Y190 F194 V195 I196 I387 | S188-G192 PolarHBondContact O-N 3.07Å; V189-G192 PolarHBondContact O-N 3.24Å; Y190-G192 VanDerWaalsContact C-N 3.33Å; G192-F194 VanDerWaalsContact C-N 3.25Å; G192-F194 PolarHBondContact O-N 2.86Å; G192-V195 PolarHBondContact O-N 2.78Å; G192-V195 VanDerWaalsContact O-N 3.16Å; G192-I196 WeakPolarHBondContact O-CB 3.42Å; G192-I196 WeakPolarHBondContact O-CG2 3.49Å; G192-I196 PolarHBondContact O-N 2.71Å; G192-I387 CarbonylContact C-O 3.51Å; G192-I387 WeakPolarHBondContact CA-O 3.47Å |
| 193 | V | 89.3 | Confident | 88.6 | Confident | 1 Ų | 1 | 53 Ų | 53 | 1% | 0.006 | 29% | 0.293 | C | S | . | . | H | α-helix | trans | -58.2 | -34 | 176.5 | 164.2 | 0 | 0 | 0 | 0 | 112.9 | V189 I191 L269 F360 T364 I387 | V189-V193 HydrophobicContact CG1-CG2 4.31Å; V189-V193 VanDerWaalsContact O-CG2 3.24Å; V189-V193 WeakPolarHBondContact O-CG2 3.49Å; V189-V193 PolarHBondContact O-N 3.17Å; I191-V193 VanDerWaalsContact C-N 3.35Å; I191-V193 PolarHBondContact O-N 3.32Å; V193-L269 HydrophobicContact CG1-CD1 3.85Å; V193-L269 HydrophobicContact CG1-CD2 4.29Å; V193-L269 HydrophobicContact CG1-CG 4.08Å; V193-F360 HydrophobicContact CG1-CB 4.07Å; V193-F360 HydrophobicContact CG1-CD1 3.7Å; V193-F360 HydrophobicContact CG1-CD2 4.48Å; V193-F360 HydrophobicContact CG1-CE1 4.24Å; V193-F360 HydrophobicContact CG1-CG 3.84Å; V193-F360 HydrophobicContact CG2-CB 3.89Å; V193-F360 HydrophobicContact CG2-CG 4.23Å; V193-T364 HydrophobicContact CG1-CG2 3.86Å; V193-I387 HydrophobicContact CG2-CG2 3.75Å |
| 194 | F | 88.6 | Confident | 88.6 | Confident | 142 Ų | 142 | 48.6 Ų | 48.6 | 62% | 0.623 | 27% | 0.271 | S | S | * | . | H | α-helix | trans | -88.8 | -20.3 | 178.8 | -69.7 | -69.9 | 0 | 0 | 0 | 113.8 | Y190 I191 G192 L269 F360 | Y190-F194 WeakPolarHBondContact O-CD2 3.47Å; I191-F194 PolarHBondContact O-N 2.73Å; I191-F194 VanDerWaalsContact O-N 3.1Å; G192-F194 VanDerWaalsContact C-N 3.25Å; G192-F194 PolarHBondContact O-N 2.86Å; F194-L269 HydrophobicContact CD1-CD1 3.51Å; F194-L269 HydrophobicContact CE1-CD1 3.61Å; F194-L269 HydrophobicContact CG-CD1 4.37Å; F194-F360 HydrophobicContact CE2-CZ 4.47Å; F194-F360 HydrophobicContact CZ-CE1 4.41Å; F194-F360 HydrophobicContact CZ-CZ 4.32Å |
| 195 | V | 89.9 | Confident | 88.5 | Confident | 79 Ų | 79 | 44.6 Ų | 44.6 | 48% | 0.479 | 25% | 0.246 | S | C | . | . | H | α-helix | trans | -93.4 | -30.8 | -177.5 | 173.1 | 0 | 0 | 0 | 0 | 111.8 | I191 G192 D197 | I191-V195 HydrophobicContact CG2-CG2 3.91Å; I191-V195 VanDerWaalsContact O-CG2 3.3Å; I191-V195 WeakPolarHBondContact O-CG2 3.36Å; I191-V195 PolarHBondContact O-N 2.86Å; I191-V195 VanDerWaalsContact O-N 3.07Å; G192-V195 PolarHBondContact O-N 2.78Å; G192-V195 VanDerWaalsContact O-N 3.16Å; V195-D197 PolarHBondContact O-N 2.97Å |
| 196 | I | 85.8 | Confident | 88.5 | Confident | 21 Ų | 21 | 44.5 Ų | 44.5 | 11% | 0.108 | 25% | 0.246 | C | C | . | . | trans | -68.5 | 128 | -175.4 | -162.1 | 150.3 | 0 | 0 | 0 | 111.3 | G192 V266 | G192-I196 WeakPolarHBondContact O-CB 3.42Å; G192-I196 WeakPolarHBondContact O-CG2 3.49Å; G192-I196 PolarHBondContact O-N 2.71Å; I196-V266 HydrophobicContact CD1-CB 3.86Å; I196-V266 HydrophobicContact CD1-CG1 3.58Å; I196-V266 HydrophobicContact CG1-CB 4.36Å; I196-V266 HydrophobicContact CG1-CG1 3.97Å; I196-V266 HydrophobicContact CG2-CG1 3.84Å | ||
| 197 | D | 81.5 | Confident | 88.4 | Confident | 87 Ų | 87 | 43.9 Ų | 43.9 | 47% | 0.465 | 24% | 0.243 | S | C | . | . | trans | -130.5 | 167.1 | 176.4 | -165.4 | 8.2 | 0 | 0 | 0 | 109.1 | V195 T199 T200 S201 | V195-D197 PolarHBondContact O-N 2.97Å; D197-T199 PolarHBondContact O-N 2.93Å; D197-T200 PolarHBondContact N-OG1 2.82Å; D197-T200 PolarHBondContact O-N 3.05Å; D197-T200 PolarHBondContact O-OG1 2.95Å; D197-S201 PolarHBondContact O-N 2.84Å | ||
| 198 | V | 80.8 | Confident | 88.1 | Confident | 62 Ų | 62 | 42.5 Ų | 42.5 | 38% | 0.376 | 23% | 0.232 | S | C | . | . | G | 310 helix | trans | -49.5 | -37.8 | -177.3 | -177.3 | 0 | 0 | 0 | 0 | 111.8 | T200 S201 D264 P267 | V198-T200 VanDerWaalsContact C-N 3.31Å; V198-T200 PolarHBondContact O-N 2.78Å; V198-S201 WeakPolarHBondContact O-CB 3.22Å; V198-S201 PolarHBondContact O-N 2.97Å; V198-S201 PolarHBondContact O-OG 3.37Å; V198-D264 HydrophobicContact CG1-CB 4.35Å; V198-D264 VanDerWaalsContact CG1-OD2 3.29Å; V198-D264 WeakPolarHBondContact CG1-OD2 3.42Å; V198-P267 HydrophobicContact CG2-CB 4.07Å |
| 199 | T | 81.5 | Confident | 87.9 | Confident | 127 Ų | 127 | 47.6 Ų | 47.6 | 78% | 0.779 | 26% | 0.255 | S | S | * | . | G | 310 helix | trans | -67.4 | -26.7 | -178.9 | 59.1 | 0 | 0 | 0 | 0 | 114.7 | D197 | D197-T199 PolarHBondContact O-N 2.93Š|
| 200 | T | 83.6 | Confident | 87.8 | Confident | 94 Ų | 94 | 48 Ų | 48 | 58% | 0.577 | 26% | 0.257 | S | S | * | . | G | 310 helix | trans | -101.8 | -2.1 | 179.7 | 52 | 0 | 0 | 0 | 0 | 112.8 | D197 V198 | D197-T200 PolarHBondContact N-OG1 2.82Å; D197-T200 PolarHBondContact O-N 3.05Å; D197-T200 PolarHBondContact O-OG1 2.95Å; V198-T200 VanDerWaalsContact C-N 3.31Å; V198-T200 PolarHBondContact O-N 2.78Å |
| 201 | S | 84.6 | Confident | 87.7 | Confident | 13 Ų | 13 | 45.8 Ų | 45.8 | 9% | 0.091 | 25% | 0.249 | C | C | . | . | P | Polyproline II helix | trans | -71 | 143.7 | -172.8 | 75.1 | 0 | 0 | 0 | 0 | 111.8 | D197 V198 D264 V266 | D197-S201 PolarHBondContact O-N 2.84Å; V198-S201 WeakPolarHBondContact O-CB 3.22Å; V198-S201 PolarHBondContact O-N 2.97Å; V198-S201 PolarHBondContact O-OG 3.37Å; S201-D264 WeakPolarHBondContact OG-CB 3.38Å; S201-V266 WeakPolarHBondContact CB-O 3.12Å |
| 202 | P | 86.2 | Confident | 87.5 | Confident | 23 Ų | 23 | 42.2 Ų | 42.2 | 15% | 0.149 | 23% | 0.231 | C | C | . | . | P | Polyproline II helix | trans | -73.4 | 138.1 | 171.9 | 29.2 | -31.6 | 0 | 0 | 0 | 110.4 | A265 V266 L378 K386 | P202-A265 HydrophobicContact CG-CB 4.4Å; P202-A265 VanDerWaalsContact O-CB 3.27Å; P202-A265 WeakPolarHBondContact O-CB 3.18Å; P202-A265 PolarHBondContact O-N 3.16Å; P202-V266 HydrophobicContact CG-CG2 4.02Å; P202-L378 HydrophobicContact CB-CD2 3.67Å; P202-L378 HydrophobicContact CG-CD2 4.09Å; P202-K386 HydrophobicContact CG-CB 4.4Å |
| 203 | Q | 88.4 | Confident | 87.4 | Confident | 94 Ų | 94 | 44.4 Ų | 44.4 | 44% | 0.439 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -93.1 | 137.6 | 178.8 | -65 | -173.6 | -34.6 | 0 | 0 | 111.3 | L223 I262 I263 D264 | Q203-L223 HydrophobicContact CB-CD2 3.99Å; Q203-I262 HydrophobicContact CB-CG2 3.96Å; Q203-I262 HydrophobicContact CG-CG2 4.35Å; Q203-I263 WeakPolarHBondContact CA-O 3.38Å; Q203-D264 WeakPolarHBondContact CG-OD1 3.3Å; Q203-D264 PolarHBondContact NE2-OD1 3.47Å |
| 204 | I | 90.1 | Very high | 87.2 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.2 | 150.6 | 174.9 | 64 | 176.8 | 0 | 0 | 0 | 111.2 | L206 I262 I263 A265 P368 L369 L378 | I204-L206 HydrophobicContact CD1-CD1 4.42Å; I204-L206 HydrophobicContact CG1-CD1 4.21Å; I204-I262 WeakPolarHBondContact O-CA 3.29Å; I204-I263 HydrophobicContact CD1-CD1 4Å; I204-I263 HydrophobicContact CD1-CG1 3.93Å; I204-I263 HydrophobicContact CG1-CD1 4.12Å; I204-I263 HydrophobicContact CG1-CG1 3.48Å; I204-I263 VanDerWaalsContact CG1-CG1 3.48Å; I204-I263 PolarHBondContact N-O 2.95Å; I204-I263 PolarHBondContact O-N 2.91Å; I204-A265 HydrophobicContact CD1-CB 3.97Å; I204-A265 HydrophobicContact CG1-CB 4.05Å; I204-A265 HydrophobicContact CG2-CB 4.08Å; I204-P368 HydrophobicContact CD1-CB 4.26Å; I204-L369 HydrophobicContact CD1-CB 4.25Å; I204-L378 HydrophobicContact CG2-CD2 4.09Å |
| 205 | C | 91.9 | Very high | 86.7 | Confident | 2 Ų | 2 | 43.6 Ų | 43.6 | 1% | 0.014 | 25% | 0.248 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.1 | 130.7 | 180 | -177.7 | 0 | 0 | 0 | 0 | 110.7 | I212 L217 L223 C227 | C205-I212 HydrophobicContact CB-CB 4.31Å; C205-I212 PolarHBondContact O-N 2.9Å; C205-L217 HydrophobicContact CB-CD1 3.76Å; C205-L223 HydrophobicContact CB-CD2 4.42Å; C205-C227 VanDerWaalsContact CA-SG 3.55Å; C205-C227 HydrophobicContact CB-CB 3.76Å; C205-C227 WeakPolarHBondContact CB-SG 3.28Å; C205-C227 WeakPolarHBondContact SG-CB 3.45Å; C205-C227 CovalentContact SG-SG 2.02Å; C205-C227 PolarHBondContact SG-SG 2.91Å |
| 206 | L | 90.5 | Very high | 86.3 | Confident | 0 Ų | 0 | 40.6 Ų | 40.6 | 0% | 0 | 23% | 0.231 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -124.2 | 142.2 | 172.7 | -62.1 | 109.6 | 0 | 0 | 0 | 111.9 | I204 K210 V211 V260 R261 I263 P368 | I204-L206 HydrophobicContact CD1-CD1 4.42Å; I204-L206 HydrophobicContact CG1-CD1 4.21Å; L206-K210 CarbonylContact C-O 3.56Å; L206-K210 VanDerWaalsContact CA-O 3.26Å; L206-K210 WeakPolarHBondContact CA-O 2.93Å; L206-V211 HydrophobicContact CD2-CG2 3.82Å; L206-V211 HydrophobicContact CG-CG2 4.43Å; L206-V260 CarbonylContact O-C 3.56Å; L206-V260 VanDerWaalsContact O-CA 3.31Å; L206-V260 WeakPolarHBondContact O-CA 3.31Å; L206-R261 HydrophobicContact CB-CG 3.92Å; L206-R261 HydrophobicContact CD1-CG 4.31Å; L206-R261 PolarHBondContact N-O 2.69Å; L206-R261 PolarHBondContact O-N 3.31Å; L206-I263 HydrophobicContact CD1-CB 4.22Å; L206-I263 HydrophobicContact CD1-CD1 3.43Å; L206-I263 VanDerWaalsContact CD1-CD1 3.43Å; L206-I263 HydrophobicContact CD1-CG1 3.46Å; L206-I263 VanDerWaalsContact CD1-CG1 3.46Å; L206-I263 HydrophobicContact CD1-CG2 3.84Å; L206-P368 HydrophobicContact CD2-CB 3.79Å; L206-P368 HydrophobicContact CD2-CG 3.87Å |
| 207 | V | 89.8 | Confident | 86 | Confident | 0 Ų | 0 | 39.8 Ų | 39.8 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -103.8 | 103.1 | 164 | 179.1 | 0 | 0 | 0 | 0 | 106.3 | E209 K210 I212 L235 Y239 Y254 F255 V260 | V207-E209 PolarHBondContact O-N 3Å; V207-K210 PolarHBondContact N-O 2.75Å; V207-K210 PolarHBondContact O-N 3.48Å; V207-I212 HydrophobicContact CB-CD1 4.34Å; V207-I212 HydrophobicContact CG2-CD1 3.67Å; V207-I212 HydrophobicContact CG2-CG1 3.89Å; V207-L235 HydrophobicContact CG2-CD2 4.05Å; V207-Y239 HydrophobicContact CG2-CE2 4.17Å; V207-Y254 HydrophobicContact CG1-CD1 4.25Å; V207-Y254 HydrophobicContact CG1-CE1 4.17Å; V207-Y254 WeakPolarHBondContact O-CE1 2.83Å; V207-F255 HydrophobicContact CG1-CD2 3.82Å; V207-F255 HydrophobicContact CG2-CD2 4.17Å; V207-F255 HydrophobicContact CG2-CE2 4.31Å; V207-V260 HydrophobicContact CG2-CG2 4.08Å |
| 208 | G | 88.2 | Confident | 85.5 | Confident | 12 Ų | 12 | 36.8 Ų | 36.8 | 12% | 0.124 | 22% | 0.217 | C | C | . | . | T | Hydrogen-bonded Turn | trans | 59.6 | -109.6 | -169.9 | 0 | 0 | 0 | 0 | 0 | 112.1 | D259 R261 | G208-D259 PolarHBondContact N-O 2.96Å; G208-R261 PolarHBondContact O-NE 3.45Å; G208-R261 VanDerWaalsContact O-NE 3.12Å; G208-R261 PolarHBondContact O-NH2 3.22Å |
| 209 | E | 87.2 | Confident | 84.7 | Confident | 111 Ų | 111 | 39.4 Ų | 39.4 | 52% | 0.519 | 23% | 0.229 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -99.4 | -14.2 | 176.3 | -63 | -169.3 | 159.8 | 0 | 0 | 113.4 | V207 Y254 A289 | V207-E209 PolarHBondContact O-N 3Å; E209-Y254 PolarHBondContact N-OH 3.32Å; E209-A289 HydrophobicContact CB-CB 3.97Å |
| 210 | K | 89.7 | Confident | 84 | Confident | 10 Ų | 10 | 40.3 Ų | 40.3 | 4% | 0.043 | 23% | 0.229 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -82.2 | 129.7 | -175.7 | -61.1 | -171.7 | 172 | -164.2 | 0 | 111.4 | L206 V207 Y254 S288 A289 T293 E299 | L206-K210 CarbonylContact C-O 3.56Å; L206-K210 VanDerWaalsContact CA-O 3.26Å; L206-K210 WeakPolarHBondContact CA-O 2.93Å; V207-K210 PolarHBondContact N-O 2.75Å; V207-K210 PolarHBondContact O-N 3.48Å; K210-Y254 HydrophobicContact CB-CE1 4.34Å; K210-Y254 HydrophobicContact CD-CD1 3.98Å; K210-Y254 HydrophobicContact CD-CE1 3.59Å; K210-Y254 HydrophobicContact CG-CE1 3.68Å; K210-S288 VanDerWaalsContact CD-OG 3.31Å; K210-S288 WeakPolarHBondContact CD-OG 3.36Å; K210-S288 WeakPolarHBondContact CE-OG 3.34Å; K210-A289 HydrophobicContact CG-CB 4.22Å; K210-T293 PolarHBondContact NZ-O 3.45Å; K210-E299 HydrophobicContact CD-CG 4.41Å; K210-E299 WeakPolarHBondContact CD-OE1 3.43Å; K210-E299 WeakPolarHBondContact CD-OE2 3.43Å; K210-E299 IonicContact NZ-OE1 2.73Å; K210-E299 PolarHBondContact NZ-OE1 3.19Å; K210-E299 IonicContact NZ-OE2 3.35Å; K210-E299 PolarHBondContact NZ-OE2 2.91Å |
| 211 | V | 90.2 | Very high | 83.4 | Confident | 6 Ų | 6 | 41 Ų | 41 | 4% | 0.036 | 23% | 0.225 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -84.5 | 133.7 | 176.9 | -176.4 | 0 | 0 | 0 | 0 | 110.1 | L206 E299 V300 P368 | L206-V211 HydrophobicContact CD2-CG2 3.82Å; L206-V211 HydrophobicContact CG-CG2 4.43Å; V211-E299 CarbonylContact O-C 3.59Å; V211-E299 WeakPolarHBondContact O-CA 3.4Å; V211-V300 HydrophobicContact CB-CB 4.19Å; V211-V300 HydrophobicContact CB-CG2 4.04Å; V211-V300 HydrophobicContact CG1-CB 4.5Å; V211-V300 HydrophobicContact CG1-CG2 3.83Å; V211-V300 PolarHBondContact O-N 3.47Å; V211-P368 HydrophobicContact CG2-CB 3.35Å |
| 212 | I | 90.1 | Very high | 83 | Confident | 1 Ų | 1 | 44.3 Ų | 44.3 | 1% | 0.005 | 25% | 0.247 | C | C | . | . | B | Isolated β-bridge | trans | -94.3 | 136.1 | 179.6 | -53.8 | -56.8 | 0 | 0 | 0 | 110.4 | C205 V207 L217 L235 Y239 V298 E299 | C205-I212 HydrophobicContact CB-CB 4.31Å; C205-I212 PolarHBondContact O-N 2.9Å; V207-I212 HydrophobicContact CB-CD1 4.34Å; V207-I212 HydrophobicContact CG2-CD1 3.67Å; V207-I212 HydrophobicContact CG2-CG1 3.89Å; I212-L217 HydrophobicContact CB-CD1 4.46Å; I212-L217 HydrophobicContact CG2-CD1 4.03Å; I212-L217 HydrophobicContact CG2-CD2 4.15Å; I212-L217 HydrophobicContact CG2-CG 3.86Å; I212-L235 HydrophobicContact CD1-CD1 4.29Å; I212-L235 HydrophobicContact CG1-CD1 4.21Å; I212-L235 HydrophobicContact CG2-CD1 3.98Å; I212-Y239 HydrophobicContact CD1-CE2 4.31Å; I212-Y239 WeakPolarHBondContact CD1-OH 3.33Å; I212-V298 HydrophobicContact CD1-CG1 4.32Å; I212-V298 HydrophobicContact CG2-CG1 4.26Å; I212-E299 HydrophobicContact CD1-CG 4.07Å |
| 213 | K | 87.9 | Confident | 82.6 | Confident | 46 Ų | 46 | 44.4 Ų | 44.4 | 20% | 0.2 | 25% | 0.246 | C | C | . | . | P | Polyproline II helix | trans | -66.2 | 134.3 | 173.7 | -65 | -172.6 | 169.2 | -178.3 | 0 | 109.7 | G215 A216 P296 V298 E299 V300 D376 | K213-G215 VanDerWaalsContact C-N 3.27Å; K213-G215 PolarHBondContact O-N 3.22Å; K213-A216 HydrophobicContact CB-CB 4.42Å; K213-A216 WeakPolarHBondContact O-CB 3.45Å; K213-A216 PolarHBondContact O-N 2.88Å; K213-A216 VanDerWaalsContact O-N 3.08Å; K213-P296 WeakPolarHBondContact CE-O 3.39Å; K213-P296 PolarHBondContact NZ-O 3.46Å; K213-V298 PolarHBondContact N-O 2.92Å; K213-E299 VanDerWaalsContact CE-O 3.24Å; K213-E299 WeakPolarHBondContact CE-O 3.47Å; K213-V300 HydrophobicContact CG-CG2 4.01Å; K213-D376 HydrophobicContact CD-CB 4.41Å; K213-D376 VanDerWaalsContact CE-OD2 3.3Å; K213-D376 WeakPolarHBondContact CE-OD2 3.37Å; K213-D376 HydrophobicContact CG-CB 4.03Å; K213-D376 IonicContact NZ-OD2 3.27Å |
| 214 | Y | 84.7 | Confident | 82.1 | Confident | 80 Ų | 80 | 45.3 Ų | 45.3 | 31% | 0.314 | 25% | 0.254 | S | S | . | . | G | 310 helix | trans | -59.9 | -38.9 | 179.4 | -174.3 | -93.5 | 0 | 0 | 0 | 112 | A216 L217 L223 D376 | Y214-A216 PolarHBondContact O-N 3.15Å; Y214-L217 WeakPolarHBondContact O-CB 3.41Å; Y214-L217 PolarHBondContact O-N 3.46Å; Y214-L223 HydrophobicContact CD2-CD1 4.41Å; Y214-L223 HydrophobicContact CE2-CD1 4.29Å; Y214-D376 VanDerWaalsContact CB-O 3.28Å; Y214-D376 WeakPolarHBondContact CB-O 3.35Å; Y214-D376 PolarHBondContact N-O 3.15Å |
| 215 | G | 79 | Confident | 81.5 | Confident | 47 Ų | 47 | 49.2 Ų | 49.2 | 49% | 0.485 | 28% | 0.277 | S | S | . | . | G | 310 helix | trans | -61.1 | -26.2 | 177.6 | 0 | 0 | 0 | 0 | 0 | 114.2 | K213 L217 | K213-G215 VanDerWaalsContact C-N 3.27Å; K213-G215 PolarHBondContact O-N 3.22Å; G215-L217 VanDerWaalsContact C-N 3.34Å |
| 216 | A | 80.5 | Confident | 81.1 | Confident | 16 Ų | 16 | 49.4 Ų | 49.4 | 13% | 0.132 | 28% | 0.279 | C | S | . | . | G | 310 helix | trans | -78.7 | -17.9 | 176 | 0 | 0 | 0 | 0 | 0 | 112.9 | K213 Y214 I234 V298 | K213-A216 HydrophobicContact CB-CB 4.42Å; K213-A216 WeakPolarHBondContact O-CB 3.45Å; K213-A216 PolarHBondContact O-N 2.88Å; K213-A216 VanDerWaalsContact O-N 3.08Å; Y214-A216 PolarHBondContact O-N 3.15Å; A216-I234 WeakPolarHBondContact O-CG2 3.47Å; A216-V298 HydrophobicContact CB-CB 4.43Å; A216-V298 HydrophobicContact CB-CG1 4.14Å |
| 217 | L | 79.3 | Confident | 80.8 | Confident | 4 Ų | 4 | 49.8 Ų | 49.8 | 2% | 0.021 | 28% | 0.281 | C | S | . | . | G | 310 helix | trans | -86 | -7.6 | -179.8 | -69.7 | 161.9 | 0 | 0 | 0 | 113.2 | C205 I212 Y214 G215 L223 T226 C227 I234 L235 | C205-L217 HydrophobicContact CB-CD1 3.76Å; I212-L217 HydrophobicContact CB-CD1 4.46Å; I212-L217 HydrophobicContact CG2-CD1 4.03Å; I212-L217 HydrophobicContact CG2-CD2 4.15Å; I212-L217 HydrophobicContact CG2-CG 3.86Å; Y214-L217 WeakPolarHBondContact O-CB 3.41Å; Y214-L217 PolarHBondContact O-N 3.46Å; G215-L217 VanDerWaalsContact C-N 3.34Å; L217-L223 HydrophobicContact CD1-CD1 3.92Å; L217-T226 WeakPolarHBondContact O-CB 3.48Å; L217-T226 WeakPolarHBondContact O-CG2 3.05Å; L217-C227 HydrophobicContact CD2-CB 4.49Å; L217-I234 VanDerWaalsContact O-CD1 3.25Å; L217-I234 WeakPolarHBondContact O-CD1 3.28Å; L217-L235 HydrophobicContact CD2-CD1 4.29Å |
| 218 | G | 70.5 | Confident | 80.6 | Confident | 24 Ų | 24 | 51.4 Ų | 51.4 | 25% | 0.247 | 29% | 0.292 | C | S | . | . | trans | 76.3 | 136 | -179.1 | 0 | 0 | 0 | 0 | 0 | 113.1 | D220 | G218-D220 VanDerWaalsContact C-N 3.33Å; G218-D220 PolarHBondContact O-N 3.32Å | ||
| 219 | N | 65.3 | Low | 80.4 | Confident | 117 Ų | 117 | 54.2 Ų | 54.2 | 63% | 0.626 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.5 | -13.5 | -168 | -70.6 | -13.1 | 0 | 0 | 0 | 115.2 | ||
| 220 | D | 66.4 | Low | 80.2 | Confident | 146 Ų | 146 | 51.3 Ų | 51.3 | 78% | 0.781 | 30% | 0.296 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -105.2 | 2.2 | -161.3 | -62.9 | -35.5 | 0 | 0 | 0 | 115 | G218 | G218-D220 VanDerWaalsContact C-N 3.33Å; G218-D220 PolarHBondContact O-N 3.32Å |
| 221 | Q | 70.5 | Confident | 79.7 | Confident | 108 Ų | 108 | 56.1 Ų | 56.1 | 51% | 0.505 | 33% | 0.326 | S | S | . | . | S | Bend | trans | -132.5 | 146 | -174 | -67 | -64.7 | -64.6 | 0 | 0 | 112.1 | T226 | Q221-T226 HydrophobicContact CB-CG2 3.43Å; Q221-T226 VanDerWaalsContact CB-CG2 3.43Å; Q221-T226 HydrophobicContact CG-CG2 4.45Å |
| 222 | P | 76.5 | Confident | 79.2 | Confident | 82 Ų | 82 | 60.3 Ų | 60.3 | 53% | 0.532 | 35% | 0.348 | S | S | . | . | trans | -61.9 | 144.2 | 177.3 | 25.9 | -33.3 | 0 | 0 | 0 | 110.9 | N224 V225 T226 | P222-N224 PolarHBondContact O-N 3.27Å; P222-V225 HydrophobicContact CG-CB 4.46Å; P222-V225 HydrophobicContact CG-CG2 3.91Å; P222-V225 PolarHBondContact O-N 3.42Å; P222-T226 PolarHBondContact O-N 2.96Å | ||
| 223 | L | 78.8 | Confident | 78.7 | Confident | 25 Ų | 25 | 61.2 Ų | 61.2 | 13% | 0.131 | 36% | 0.358 | C | S | . | . | H | α-helix | trans | -54.3 | -32.5 | -174.8 | -149.6 | 85.2 | 0 | 0 | 0 | 112.8 | Q203 C205 Y214 L217 V225 T226 C227 I262 | Q203-L223 HydrophobicContact CB-CD2 3.99Å; C205-L223 HydrophobicContact CB-CD2 4.42Å; Y214-L223 HydrophobicContact CD2-CD1 4.41Å; Y214-L223 HydrophobicContact CE2-CD1 4.29Å; L217-L223 HydrophobicContact CD1-CD1 3.92Å; L223-V225 PolarHBondContact O-N 3.5Å; L223-T226 WeakPolarHBondContact CA-OG1 2.99Å; L223-T226 PolarHBondContact O-N 2.9Å; L223-T226 PolarHBondContact O-OG1 3.37Å; L223-C227 HydrophobicContact CG-CB 4.31Å; L223-C227 WeakPolarHBondContact O-CB 3.41Å; L223-C227 PolarHBondContact O-N 3.24Å; L223-I262 HydrophobicContact CD2-CD1 4.49Å; L223-I262 HydrophobicContact CD2-CG1 4.32Å; L223-I262 HydrophobicContact CD2-CG2 3.95Å |
| 224 | N | 77 | Confident | 78.6 | Confident | 114 Ų | 114 | 62.6 Ų | 62.6 | 61% | 0.61 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -59.5 | -26.3 | 176.5 | -71.8 | -2.3 | 0 | 0 | 0 | 114 | P222 I262 | P222-N224 PolarHBondContact O-N 3.27Å; N224-I262 VanDerWaalsContact OD1-CD1 3.24Å; N224-I262 WeakPolarHBondContact OD1-CD1 3.45Å |
| 225 | V | 78.6 | Confident | 78.6 | Confident | 82 Ų | 82 | 58.8 Ų | 58.8 | 50% | 0.497 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -91.8 | -43.1 | 179.1 | 178.3 | 0 | 0 | 0 | 0 | 110.4 | P222 L223 S228 | P222-V225 HydrophobicContact CG-CB 4.46Å; P222-V225 HydrophobicContact CG-CG2 3.91Å; P222-V225 PolarHBondContact O-N 3.42Å; L223-V225 PolarHBondContact O-N 3.5Å; V225-S228 PolarHBondContact O-OG 3.34Å |
| 226 | T | 82.1 | Confident | 78.9 | Confident | 7 Ų | 7 | 57.9 Ų | 57.9 | 4% | 0.043 | 33% | 0.334 | C | S | . | . | H | α-helix | trans | -77.3 | -35.2 | -174 | 57.9 | 0 | 0 | 0 | 0 | 112.9 | L217 Q221 P222 L223 S228 I234 | L217-T226 WeakPolarHBondContact O-CB 3.48Å; L217-T226 WeakPolarHBondContact O-CG2 3.05Å; Q221-T226 HydrophobicContact CB-CG2 3.43Å; Q221-T226 VanDerWaalsContact CB-CG2 3.43Å; Q221-T226 HydrophobicContact CG-CG2 4.45Å; P222-T226 PolarHBondContact O-N 2.96Å; L223-T226 WeakPolarHBondContact CA-OG1 2.99Å; L223-T226 PolarHBondContact O-N 2.9Å; L223-T226 PolarHBondContact O-OG1 3.37Å; T226-S228 VanDerWaalsContact C-N 3.25Å; T226-S228 PolarHBondContact O-N 3.27Å; T226-S228 VanDerWaalsContact O-N 3.12Å; T226-I234 HydrophobicContact CG2-CD1 4.08Å |
| 227 | C | 84.4 | Confident | 79.1 | Confident | 8 Ų | 8 | 63.6 Ų | 63.6 | 5% | 0.054 | 36% | 0.356 | C | S | . | . | S | Bend | trans | -86.3 | 57.6 | 175.9 | -170.1 | 0 | 0 | 0 | 0 | 111 | C205 L217 L223 V260 I262 | C205-C227 VanDerWaalsContact CA-SG 3.55Å; C205-C227 HydrophobicContact CB-CB 3.76Å; C205-C227 WeakPolarHBondContact CB-SG 3.28Å; C205-C227 WeakPolarHBondContact SG-CB 3.45Å; C205-C227 CovalentContact SG-SG 2.02Å; C205-C227 PolarHBondContact SG-SG 2.91Å; L217-C227 HydrophobicContact CD2-CB 4.49Å; L223-C227 HydrophobicContact CG-CB 4.31Å; L223-C227 WeakPolarHBondContact O-CB 3.41Å; L223-C227 PolarHBondContact O-N 3.24Å; C227-V260 HydrophobicContact CB-CG1 4.46Å; C227-V260 WeakPolarHBondContact O-CG1 3.48Å; C227-V260 WeakPolarHBondContact SG-CG1 3.12Å; C227-I262 HydrophobicContact CB-CD1 4.09Å; C227-I262 HydrophobicContact CB-CG1 3.96Å |
| 228 | S | 85 | Confident | 79.3 | Confident | 34 Ų | 34 | 64.9 Ų | 64.9 | 24% | 0.238 | 37% | 0.365 | C | S | . | . | S | Bend | trans | -135.9 | 153.6 | 178.4 | 71.9 | 0 | 0 | 0 | 0 | 111.7 | V225 T226 A230 | V225-S228 PolarHBondContact O-OG 3.34Å; T226-S228 VanDerWaalsContact C-N 3.25Å; T226-S228 PolarHBondContact O-N 3.27Å; T226-S228 VanDerWaalsContact O-N 3.12Å; S228-A230 PolarHBondContact O-N 2.97Å; S228-A230 WeakPolarHBondContact OG-CB 3.34Å |
| 229 | K | 84.9 | Confident | 80.1 | Confident | 71 Ų | 71 | 64 Ų | 64 | 31% | 0.309 | 35% | 0.354 | S | S | . | . | trans | -78.2 | 20.5 | 172 | -66.2 | -170.7 | 173.8 | -178.9 | 0 | 113 | V231 F255 M256 N258 D259 V260 | K229-V231 PolarHBondContact O-N 2.83Å; K229-F255 HydrophobicContact CB-CZ 4.34Å; K229-F255 WeakPolarHBondContact CE-O 3.19Å; K229-F255 HydrophobicContact CG-CE1 4.32Å; K229-F255 HydrophobicContact CG-CE2 4.35Å; K229-F255 HydrophobicContact CG-CZ 3.87Å; K229-F255 PolarHBondContact NZ-O 3.35Å; K229-M256 PolarHBondContact NZ-O 2.83Å; K229-N258 WeakPolarHBondContact CE-O 3.41Å; K229-N258 PolarHBondContact NZ-O 3.28Å; K229-D259 IonicContact NZ-OD1 3.91Å; K229-V260 HydrophobicContact CD-CG2 4.26Å; K229-V260 HydrophobicContact CG-CB 4.27Å; K229-V260 HydrophobicContact CG-CG2 3.51Å | ||
| 230 | A | 83.7 | Confident | 81.2 | Confident | 50 Ų | 50 | 58.8 Ų | 58.8 | 41% | 0.413 | 33% | 0.327 | S | S | . | . | trans | -61.8 | 132.4 | -178.4 | 0 | 0 | 0 | 0 | 0 | 110.9 | S228 D232 G233 W236 | S228-A230 PolarHBondContact O-N 2.97Å; S228-A230 WeakPolarHBondContact OG-CB 3.34Å; A230-D232 PolarHBondContact O-N 3.07Å; A230-G233 WeakPolarHBondContact O-CA 3.5Å; A230-G233 PolarHBondContact O-N 2.98Å; A230-W236 WeakPolarHBondContact O-CB 3.46Å | ||
| 231 | V | 79.3 | Confident | 82 | Confident | 110 Ų | 110 | 55 Ų | 55 | 67% | 0.667 | 32% | 0.316 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -58.8 | 133.6 | 176.7 | -176.5 | 0 | 0 | 0 | 0 | 108.9 | K229 G233 W236 | K229-V231 PolarHBondContact O-N 2.83Å; V231-G233 PolarHBondContact O-N 2.72Å; V231-W236 HydrophobicContact CG1-CH2 4.25Å; V231-W236 HydrophobicContact CG1-CZ2 4Å |
| 232 | D | 78.1 | Confident | 82.5 | Confident | 95 Ų | 95 | 56 Ų | 56 | 51% | 0.508 | 32% | 0.319 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 64.6 | 8 | -171.9 | -63.6 | -44.4 | 0 | 0 | 0 | 116.5 | A230 W236 K237 | A230-D232 PolarHBondContact O-N 3.07Å; D232-W236 VanDerWaalsContact OD1-CZ3 3.26Å; D232-W236 WeakPolarHBondContact OD1-CZ3 3.27Å; D232-K237 WeakPolarHBondContact O-CE 3.3Å; D232-K237 PolarHBondContact O-NZ 3.1Å |
| 233 | G | 81 | Confident | 82.6 | Confident | 20 Ų | 20 | 55.4 Ų | 55.4 | 21% | 0.206 | 31% | 0.311 | C | S | . | . | trans | -64.2 | 163.2 | 168.8 | 0 | 0 | 0 | 0 | 0 | 113 | A230 V231 L235 W236 K237 | A230-G233 WeakPolarHBondContact O-CA 3.5Å; A230-G233 PolarHBondContact O-N 2.98Å; V231-G233 PolarHBondContact O-N 2.72Å; G233-L235 PolarHBondContact O-N 3.44Å; G233-W236 PolarHBondContact O-N 2.98Å; G233-K237 WeakPolarHBondContact O-CG 3.26Å; G233-K237 PolarHBondContact O-N 3.13Å | ||
| 234 | I | 84.1 | Confident | 82.4 | Confident | 74 Ų | 74 | 61.6 Ų | 61.6 | 38% | 0.379 | 34% | 0.344 | S | S | . | . | H | α-helix | trans | -59.8 | -49 | -177.9 | -59.6 | 172.4 | 0 | 0 | 0 | 110.4 | A216 L217 T226 W236 K237 S238 | A216-I234 WeakPolarHBondContact O-CG2 3.47Å; L217-I234 VanDerWaalsContact O-CD1 3.25Å; L217-I234 WeakPolarHBondContact O-CD1 3.28Å; T226-I234 HydrophobicContact CG2-CD1 4.08Å; I234-W236 VanDerWaalsContact C-N 3.35Å; I234-W236 PolarHBondContact O-N 3.21Å; I234-K237 PolarHBondContact O-N 3.47Å; I234-S238 PolarHBondContact O-N 3.35Å |
| 235 | L | 85.3 | Confident | 82.2 | Confident | 1 Ų | 1 | 63.4 Ų | 63.4 | 1% | 0.005 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -65.9 | -36.2 | 177 | -165.8 | 68.5 | 0 | 0 | 0 | 112.1 | V207 I212 L217 G233 K237 S238 Y239 F255 V260 V298 | V207-L235 HydrophobicContact CG2-CD2 4.05Å; I212-L235 HydrophobicContact CD1-CD1 4.29Å; I212-L235 HydrophobicContact CG1-CD1 4.21Å; I212-L235 HydrophobicContact CG2-CD1 3.98Å; L217-L235 HydrophobicContact CD2-CD1 4.29Å; G233-L235 PolarHBondContact O-N 3.44Å; L235-K237 VanDerWaalsContact C-N 3.35Å; L235-K237 PolarHBondContact O-N 3.21Å; L235-S238 PolarHBondContact O-N 3.03Å; L235-S238 PolarHBondContact O-OG 3.42Å; L235-Y239 HydrophobicContact CD1-CD2 4.23Å; L235-Y239 HydrophobicContact CD1-CE2 3.76Å; L235-Y239 HydrophobicContact CG-CD2 4.22Å; L235-Y239 HydrophobicContact CG-CE2 4.16Å; L235-Y239 WeakPolarHBondContact O-CD2 3.47Å; L235-Y239 PolarHBondContact O-N 3.26Å; L235-F255 HydrophobicContact CD2-CE2 3.9Å; L235-F255 HydrophobicContact CG-CE2 3.93Å; L235-F255 HydrophobicContact CG-CZ 4.47Å; L235-V260 HydrophobicContact CD2-CG1 4Å; L235-V260 HydrophobicContact CD2-CG2 4.13Å; L235-V298 HydrophobicContact CD1-CG1 4.46Å |
| 236 | W | 86.3 | Confident | 81.9 | Confident | 27 Ų | 27 | 63.3 Ų | 63.3 | 10% | 0.102 | 35% | 0.354 | C | S | . | . | H | α-helix | trans | -64.5 | -40.8 | 176.5 | -175 | 89.6 | 0 | 0 | 0 | 111.5 | A230 V231 D232 G233 I234 S238 Y239 C240 V249 | A230-W236 WeakPolarHBondContact O-CB 3.46Å; V231-W236 HydrophobicContact CG1-CH2 4.25Å; V231-W236 HydrophobicContact CG1-CZ2 4Å; D232-W236 VanDerWaalsContact OD1-CZ3 3.26Å; D232-W236 WeakPolarHBondContact OD1-CZ3 3.27Å; G233-W236 PolarHBondContact O-N 2.98Å; I234-W236 VanDerWaalsContact C-N 3.35Å; I234-W236 PolarHBondContact O-N 3.21Å; W236-S238 VanDerWaalsContact C-N 3.25Å; W236-S238 PolarHBondContact O-N 2.83Å; W236-Y239 PolarHBondContact O-N 3.43Å; W236-C240 HydrophobicContact CD2-CB 3.97Å; W236-C240 HydrophobicContact CE3-CB 4.38Å; W236-C240 HydrophobicContact CG-CB 4.44Å; W236-C240 HydrophobicContact CH2-CB 4.45Å; W236-C240 HydrophobicContact CZ2-CB 4.03Å; W236-C240 PolarHBondContact NE1-SG 3.36Å; W236-C240 VanDerWaalsContact NE1-SG 3.44Å; W236-C240 VanDerWaalsContact O-CB 3.27Å; W236-C240 WeakPolarHBondContact O-CB 3.35Å; W236-C240 PolarHBondContact O-N 3.11Å; W236-V249 HydrophobicContact CH2-CG1 4.07Å; W236-V249 HydrophobicContact CH2-CG2 4.39Å; W236-V249 HydrophobicContact CZ2-CG1 3.6Å; W236-V249 HydrophobicContact CZ2-CG2 4.34Å |
| 237 | K | 85 | Confident | 81.6 | Confident | 137 Ų | 137 | 65 Ų | 65 | 60% | 0.596 | 37% | 0.373 | S | S | * | . | H | α-helix | trans | -64.8 | -26 | 176.2 | -73.3 | 172.7 | 178.8 | 165.5 | 0 | 113.6 | D232 G233 I234 L235 | D232-K237 WeakPolarHBondContact O-CE 3.3Å; D232-K237 PolarHBondContact O-NZ 3.1Å; G233-K237 WeakPolarHBondContact O-CG 3.26Å; G233-K237 PolarHBondContact O-N 3.13Å; I234-K237 PolarHBondContact O-N 3.47Å; L235-K237 VanDerWaalsContact C-N 3.35Å; L235-K237 PolarHBondContact O-N 3.21Å |
| 238 | S | 83.6 | Confident | 81.4 | Confident | 31 Ų | 31 | 69.5 Ų | 69.5 | 22% | 0.217 | 40% | 0.396 | C | S | . | . | H | α-helix | trans | -80 | -25.8 | 178.3 | 66.9 | 0 | 0 | 0 | 0 | 113.2 | I234 L235 W236 R295 | I234-S238 PolarHBondContact O-N 3.35Å; L235-S238 PolarHBondContact O-N 3.03Å; L235-S238 PolarHBondContact O-OG 3.42Å; W236-S238 VanDerWaalsContact C-N 3.25Å; W236-S238 PolarHBondContact O-N 2.83Å; S238-R295 PolarHBondContact O-NH1 2.92Å |
| 239 | Y | 86.9 | Confident | 81.2 | Confident | 5 Ų | 5 | 71 Ų | 71 | 2% | 0.02 | 40% | 0.403 | C | S | . | . | H | α-helix | trans | -104.4 | -23.5 | 180 | -74.1 | -78.3 | 0 | 0 | 0 | 114.7 | V207 I212 L235 W236 D252 F255 V298 E299 | V207-Y239 HydrophobicContact CG2-CE2 4.17Å; I212-Y239 HydrophobicContact CD1-CE2 4.31Å; I212-Y239 WeakPolarHBondContact CD1-OH 3.33Å; L235-Y239 HydrophobicContact CD1-CD2 4.23Å; L235-Y239 HydrophobicContact CD1-CE2 3.76Å; L235-Y239 HydrophobicContact CG-CD2 4.22Å; L235-Y239 HydrophobicContact CG-CE2 4.16Å; L235-Y239 WeakPolarHBondContact O-CD2 3.47Å; L235-Y239 PolarHBondContact O-N 3.26Å; W236-Y239 PolarHBondContact O-N 3.43Å; Y239-D252 HydrophobicContact CD1-CB 3.93Å; Y239-D252 PolarHBondContact O-N 3.02Å; Y239-F255 HydrophobicContact CD1-CB 3.85Å; Y239-F255 HydrophobicContact CD1-CD2 4.32Å; Y239-F255 HydrophobicContact CD1-CG 4.26Å; Y239-F255 HydrophobicContact CD2-CB 4.43Å; Y239-F255 AromaticContact CD2-CD2 3.42Å; Y239-F255 HydrophobicContact CD2-CD2 3.42Å; Y239-F255 VanDerWaalsContact CD2-CD2 3.42Å; Y239-F255 AromaticContact CD2-CE2 3.76Å; Y239-F255 HydrophobicContact CD2-CE2 3.76Å; Y239-F255 AromaticContact CD2-CG 3.96Å; Y239-F255 HydrophobicContact CD2-CG 3.96Å; Y239-F255 AromaticContact CE2-CD2 3.9Å; Y239-F255 HydrophobicContact CE2-CD2 3.9Å; Y239-F255 HydrophobicContact CE2-CE2 4.28Å; Y239-F255 HydrophobicContact CG-CB 3.79Å; Y239-F255 HydrophobicContact CG-CD1 4.4Å; Y239-F255 AromaticContact CG-CD2 3.66Å; Y239-F255 HydrophobicContact CG-CD2 3.66Å; Y239-F255 HydrophobicContact CG-CE2 4.34Å; Y239-F255 AromaticContact CG-CG 3.69Å; Y239-F255 HydrophobicContact CG-CG 3.69Å; Y239-V298 HydrophobicContact CE2-CG1 4.02Å; Y239-E299 WeakPolarHBondContact CE1-OE1 3.4Å; Y239-E299 VanDerWaalsContact CZ-OE1 3.29Å; Y239-E299 VanDerWaalsContact OH-CD 3.23Å; Y239-E299 WeakPolarHBondContact OH-CG 3.42Å; Y239-E299 PolarHBondContact OH-OE1 3.22Å |
| 240 | C | 87.9 | Confident | 81.2 | Confident | 8 Ų | 8 | 73 Ų | 73 | 5% | 0.054 | 42% | 0.417 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -116.4 | 128.4 | -177 | -59 | 0 | 0 | 0 | 0 | 111.3 | W236 V249 N250 C251 | W236-C240 HydrophobicContact CD2-CB 3.97Å; W236-C240 HydrophobicContact CE3-CB 4.38Å; W236-C240 HydrophobicContact CG-CB 4.44Å; W236-C240 HydrophobicContact CH2-CB 4.45Å; W236-C240 HydrophobicContact CZ2-CB 4.03Å; W236-C240 PolarHBondContact NE1-SG 3.36Å; W236-C240 VanDerWaalsContact NE1-SG 3.44Å; W236-C240 VanDerWaalsContact O-CB 3.27Å; W236-C240 WeakPolarHBondContact O-CB 3.35Å; W236-C240 PolarHBondContact O-N 3.11Å; C240-V249 HydrophobicContact CB-CG1 3.96Å; C240-N250 WeakPolarHBondContact CA-O 3.38Å; C240-C251 HydrophobicContact CB-CB 4.08Å; C240-C251 WeakPolarHBondContact CB-SG 3.42Å; C240-C251 WeakPolarHBondContact SG-CB 3.3Å; C240-C251 CovalentContact SG-SG 2.04Å; C240-C251 PolarHBondContact SG-SG 3.49Å |
| 241 | A | 84 | Confident | 81.3 | Confident | 66 Ų | 66 | 72.3 Ų | 72.3 | 55% | 0.545 | 41% | 0.409 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 130.6 | 171.6 | 0 | 0 | 0 | 0 | 0 | 109.6 | N250 | A241-N250 PolarHBondContact N-O 2.9Å; A241-N250 PolarHBondContact O-N 3.08Å |
| 242 | K | 80.4 | Confident | 81.6 | Confident | 130 Ų | 130 | 68.5 Ų | 68.5 | 57% | 0.565 | 39% | 0.385 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 118 | 172.8 | -167.7 | 174.3 | -175.2 | 175.3 | 0 | 108.6 | N244 V249 | K242-N244 PolarHBondContact O-N 3.41Å; K242-V249 HydrophobicContact CG-CG2 4.41Å |
| 243 | D | 77.6 | Confident | 82 | Confident | 68 Ų | 68 | 68 Ų | 68 | 36% | 0.364 | 39% | 0.387 | S | S | . | . | trans | -73.1 | 115.4 | 175.7 | -177.3 | 9.8 | 0 | 0 | 0 | 109.3 | N245 T246 G247 N248 | D243-N245 PolarHBondContact O-N 2.85Å; D243-N245 VanDerWaalsContact O-N 3.14Å; D243-N245 PolarHBondContact OD1-N 3.06Å; D243-T246 WeakPolarHBondContact CB-OG1 3.48Å; D243-T246 PolarHBondContact O-N 3.36Å; D243-T246 PolarHBondContact OD2-OG1 3.01Å; D243-G247 WeakPolarHBondContact O-CA 3.44Å; D243-G247 PolarHBondContact O-N 3.2Å; D243-N248 PolarHBondContact N-O 3.49Å | ||
| 244 | N | 74.9 | Confident | 82.3 | Confident | 155 Ų | 155 | 68.6 Ų | 68.6 | 83% | 0.829 | 38% | 0.383 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.1 | -23.8 | -174.6 | -75.3 | -16.6 | 0 | 0 | 0 | 112.9 | K242 | K242-N244 PolarHBondContact O-N 3.41Š|
| 245 | N | 72.5 | Confident | 82.5 | Confident | 152 Ų | 152 | 65.1 Ų | 65.1 | 81% | 0.813 | 37% | 0.366 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91 | -32.8 | -174.5 | -68.3 | -16.5 | 0 | 0 | 0 | 113.4 | D243 | D243-N245 PolarHBondContact O-N 2.85Å; D243-N245 VanDerWaalsContact O-N 3.14Å; D243-N245 PolarHBondContact OD1-N 3.06Å |
| 246 | T | 73.4 | Confident | 82.6 | Confident | 81 Ų | 81 | 70.5 Ų | 70.5 | 50% | 0.497 | 39% | 0.392 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -108.6 | -16.3 | -174.5 | 57.3 | 0 | 0 | 0 | 0 | 113 | D243 N248 | D243-T246 WeakPolarHBondContact CB-OG1 3.48Å; D243-T246 PolarHBondContact O-N 3.36Å; D243-T246 PolarHBondContact OD2-OG1 3.01Å; T246-N248 PolarHBondContact O-N 3.41Å; T246-N248 WeakPolarHBondContact OG1-CB 3.34Å; T246-N248 PolarHBondContact OG1-N 3.47Å |
| 247 | G | 75.7 | Confident | 82.8 | Confident | 43 Ų | 43 | 76.6 Ų | 76.6 | 44% | 0.443 | 42% | 0.422 | S | S | . | . | trans | 68.8 | 0.4 | -169.6 | 0 | 0 | 0 | 0 | 0 | 113.4 | D243 | D243-G247 WeakPolarHBondContact O-CA 3.44Å; D243-G247 PolarHBondContact O-N 3.2Å | ||
| 248 | N | 79.3 | Confident | 83 | Confident | 102 Ų | 102 | 72.4 Ų | 72.4 | 55% | 0.545 | 41% | 0.406 | S | S | . | . | trans | -70 | 135.5 | 176.6 | -77.7 | -12.3 | 0 | 0 | 0 | 109.8 | D243 T246 | D243-N248 PolarHBondContact N-O 3.49Å; T246-N248 PolarHBondContact O-N 3.41Å; T246-N248 WeakPolarHBondContact OG1-CB 3.34Å; T246-N248 PolarHBondContact OG1-N 3.47Å | ||
| 249 | V | 80.7 | Confident | 83.3 | Confident | 65 Ų | 65 | 77.1 Ų | 77.1 | 39% | 0.394 | 43% | 0.429 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -96 | 116 | 174.9 | -179.1 | 0 | 0 | 0 | 0 | 107.6 | W236 C240 K242 C251 | W236-V249 HydrophobicContact CH2-CG1 4.07Å; W236-V249 HydrophobicContact CH2-CG2 4.39Å; W236-V249 HydrophobicContact CZ2-CG1 3.6Å; W236-V249 HydrophobicContact CZ2-CG2 4.34Å; C240-V249 HydrophobicContact CB-CG1 3.96Å; K242-V249 HydrophobicContact CG-CG2 4.41Å; V249-C251 VanDerWaalsContact CG1-SG 3.57Å |
| 250 | N | 84.8 | Confident | 83.5 | Confident | 113 Ų | 113 | 78.4 Ų | 78.4 | 60% | 0.604 | 44% | 0.437 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -99 | 102.4 | 172.7 | -70.6 | -7.3 | 0 | 0 | 0 | 108.2 | C240 A241 | C240-N250 WeakPolarHBondContact CA-O 3.38Å; A241-N250 PolarHBondContact N-O 2.9Å; A241-N250 PolarHBondContact O-N 3.08Å |
| 251 | C | 85.8 | Confident | 83.6 | Confident | 36 Ų | 36 | 83.8 Ų | 83.8 | 24% | 0.243 | 46% | 0.456 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 150.6 | 174.8 | -68.5 | 0 | 0 | 0 | 0 | 111.4 | C240 V249 M256 | C240-C251 HydrophobicContact CB-CB 4.08Å; C240-C251 WeakPolarHBondContact CB-SG 3.42Å; C240-C251 WeakPolarHBondContact SG-CB 3.3Å; C240-C251 CovalentContact SG-SG 2.04Å; C240-C251 PolarHBondContact SG-SG 3.49Å; V249-C251 VanDerWaalsContact CG1-SG 3.57Å; C251-M256 HydrophobicContact CB-CG 3.72Å; C251-M256 HydrophobicContact CB-SD 3.97Å |
| 252 | D | 85.7 | Confident | 83.8 | Confident | 29 Ų | 29 | 83.3 Ų | 83.3 | 16% | 0.155 | 44% | 0.444 | C | S | . | . | trans | -59.5 | 126.6 | 168.8 | -163.2 | -45.6 | 0 | 0 | 0 | 110.2 | Y239 Y254 F255 M256 R295 | Y239-D252 HydrophobicContact CD1-CB 3.93Å; Y239-D252 PolarHBondContact O-N 3.02Å; D252-Y254 PolarHBondContact O-N 3.22Å; D252-Y254 PolarHBondContact OD1-N 2.83Å; D252-F255 HydrophobicContact CB-CB 4.25Å; D252-F255 PolarHBondContact O-N 2.88Å; D252-F255 VanDerWaalsContact O-N 3.17Å; D252-M256 PolarHBondContact O-N 3.47Å; D252-R295 IonicContact OD2-CZ 2.61Å; D252-R295 IonicContact OD2-NE 2.96Å; D252-R295 PolarHBondContact OD2-NE 3.22Å; D252-R295 IonicContact OD2-NH2 3.63Å; D252-R295 PolarHBondContact OD2-NH2 2.74Å | ||
| 253 | P | 87.1 | Confident | 84.3 | Confident | 86 Ų | 86 | 78.6 Ų | 78.6 | 56% | 0.558 | 43% | 0.425 | S | S | * | . | H | α-helix | trans | -56.2 | -36.9 | 179.7 | 22.1 | -34.1 | 0 | 0 | 0 | 112.3 | F255 M256 E257 | P253-F255 VanDerWaalsContact C-N 3.32Å; P253-F255 PolarHBondContact O-N 2.71Å; P253-M256 PolarHBondContact O-N 3.38Å; P253-E257 WeakPolarHBondContact O-CB 3.35Å; P253-E257 WeakPolarHBondContact O-CG 3.47Å; P253-E257 PolarHBondContact O-N 2.81Å |
| 254 | Y | 87.2 | Confident | 84.8 | Confident | 31 Ų | 31 | 78 Ų | 78 | 12% | 0.122 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -64.5 | -37.9 | -178.6 | -173.8 | -92.6 | 0 | 0 | 0 | 112.4 | V207 E209 K210 D252 N258 L292 | V207-Y254 HydrophobicContact CG1-CD1 4.25Å; V207-Y254 HydrophobicContact CG1-CE1 4.17Å; V207-Y254 WeakPolarHBondContact O-CE1 2.83Å; E209-Y254 PolarHBondContact N-OH 3.32Å; K210-Y254 HydrophobicContact CB-CE1 4.34Å; K210-Y254 HydrophobicContact CD-CD1 3.98Å; K210-Y254 HydrophobicContact CD-CE1 3.59Å; K210-Y254 HydrophobicContact CG-CE1 3.68Å; D252-Y254 PolarHBondContact O-N 3.22Å; D252-Y254 PolarHBondContact OD1-N 2.83Å; Y254-N258 WeakPolarHBondContact CD2-ND2 3.29Å; Y254-N258 HydrophobicContact CE1-CB 4.47Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.25Å; Y254-N258 VanDerWaalsContact CZ-ND2 3.34Å; Y254-N258 WeakPolarHBondContact O-CB 3.45Å; Y254-N258 PolarHBondContact O-N 3.24Å; Y254-N258 VanDerWaalsContact O-N 3.14Å; Y254-N258 PolarHBondContact O-ND2 3.1Å; Y254-L292 HydrophobicContact CD2-CD1 4.32Å; Y254-L292 HydrophobicContact CD2-CD2 4.35Å; Y254-L292 HydrophobicContact CE2-CD1 3.51Å; Y254-L292 HydrophobicContact CE2-CD2 4.34Å |
| 255 | F | 88.7 | Confident | 85.4 | Confident | 1 Ų | 1 | 70.6 Ų | 70.6 | 0% | 0.004 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -70.4 | -34 | 178.8 | 179.5 | -102.6 | 0 | 0 | 0 | 112.1 | V207 K229 L235 Y239 D252 P253 V260 | V207-F255 HydrophobicContact CG1-CD2 3.82Å; V207-F255 HydrophobicContact CG2-CD2 4.17Å; V207-F255 HydrophobicContact CG2-CE2 4.31Å; K229-F255 HydrophobicContact CB-CZ 4.34Å; K229-F255 WeakPolarHBondContact CE-O 3.19Å; K229-F255 HydrophobicContact CG-CE1 4.32Å; K229-F255 HydrophobicContact CG-CE2 4.35Å; K229-F255 HydrophobicContact CG-CZ 3.87Å; K229-F255 PolarHBondContact NZ-O 3.35Å; L235-F255 HydrophobicContact CD2-CE2 3.9Å; L235-F255 HydrophobicContact CG-CE2 3.93Å; L235-F255 HydrophobicContact CG-CZ 4.47Å; Y239-F255 HydrophobicContact CD1-CB 3.85Å; Y239-F255 HydrophobicContact CD1-CD2 4.32Å; Y239-F255 HydrophobicContact CD1-CG 4.26Å; Y239-F255 HydrophobicContact CD2-CB 4.43Å; Y239-F255 AromaticContact CD2-CD2 3.42Å; Y239-F255 HydrophobicContact CD2-CD2 3.42Å; Y239-F255 VanDerWaalsContact CD2-CD2 3.42Å; Y239-F255 AromaticContact CD2-CE2 3.76Å; Y239-F255 HydrophobicContact CD2-CE2 3.76Å; Y239-F255 AromaticContact CD2-CG 3.96Å; Y239-F255 HydrophobicContact CD2-CG 3.96Å; Y239-F255 AromaticContact CE2-CD2 3.9Å; Y239-F255 HydrophobicContact CE2-CD2 3.9Å; Y239-F255 HydrophobicContact CE2-CE2 4.28Å; Y239-F255 HydrophobicContact CG-CB 3.79Å; Y239-F255 HydrophobicContact CG-CD1 4.4Å; Y239-F255 AromaticContact CG-CD2 3.66Å; Y239-F255 HydrophobicContact CG-CD2 3.66Å; Y239-F255 HydrophobicContact CG-CE2 4.34Å; Y239-F255 AromaticContact CG-CG 3.69Å; Y239-F255 HydrophobicContact CG-CG 3.69Å; D252-F255 HydrophobicContact CB-CB 4.25Å; D252-F255 PolarHBondContact O-N 2.88Å; D252-F255 VanDerWaalsContact O-N 3.17Å; P253-F255 VanDerWaalsContact C-N 3.32Å; P253-F255 PolarHBondContact O-N 2.71Å; F255-V260 HydrophobicContact CE2-CG2 3.98Å |
| 256 | M | 87.6 | Confident | 86.2 | Confident | 115 Ų | 115 | 63.4 Ų | 63.4 | 57% | 0.567 | 34% | 0.343 | S | S | * | . | H | α-helix | trans | -72.9 | -43.8 | 177.4 | -67.4 | -61.3 | -68.9 | 0 | 0 | 111.5 | K229 C251 D252 P253 | K229-M256 PolarHBondContact NZ-O 2.83Å; C251-M256 HydrophobicContact CB-CG 3.72Å; C251-M256 HydrophobicContact CB-SD 3.97Å; D252-M256 PolarHBondContact O-N 3.47Å; P253-M256 PolarHBondContact O-N 3.38Å |
| 257 | E | 89.8 | Confident | 86.8 | Confident | 154 Ų | 154 | 60.5 Ų | 60.5 | 72% | 0.72 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -71.5 | -35.1 | -177 | -72.3 | 175.3 | -175.8 | 0 | 0 | 113.8 | P253 | P253-E257 WeakPolarHBondContact O-CB 3.35Å; P253-E257 WeakPolarHBondContact O-CG 3.47Å; P253-E257 PolarHBondContact O-N 2.81Å |
| 258 | N | 90 | Very high | 87.1 | Confident | 49 Ų | 49 | 58.6 Ų | 58.6 | 26% | 0.262 | 31% | 0.306 | S | S | . | . | S | Bend | trans | -105.3 | 138.7 | -172.5 | -63.6 | -68 | 0 | 0 | 0 | 113.1 | K229 Y254 | K229-N258 WeakPolarHBondContact CE-O 3.41Å; K229-N258 PolarHBondContact NZ-O 3.28Å; Y254-N258 WeakPolarHBondContact CD2-ND2 3.29Å; Y254-N258 HydrophobicContact CE1-CB 4.47Å; Y254-N258 WeakPolarHBondContact CE2-ND2 3.25Å; Y254-N258 VanDerWaalsContact CZ-ND2 3.34Å; Y254-N258 WeakPolarHBondContact O-CB 3.45Å; Y254-N258 PolarHBondContact O-N 3.24Å; Y254-N258 VanDerWaalsContact O-N 3.14Å; Y254-N258 PolarHBondContact O-ND2 3.1Å |
| 259 | D | 90.3 | Very high | 87.3 | Confident | 131 Ų | 131 | 56.7 Ų | 56.7 | 70% | 0.701 | 30% | 0.296 | S | S | * | . | trans | -71 | 148.9 | 179 | -69.7 | -30.5 | 0 | 0 | 0 | 113.4 | G208 K229 | G208-D259 PolarHBondContact N-O 2.96Å; K229-D259 IonicContact NZ-OD1 3.91Å | ||
| 260 | V | 89.6 | Confident | 87.3 | Confident | 32 Ų | 32 | 61.8 Ų | 61.8 | 19% | 0.194 | 32% | 0.321 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -92.1 | 123.5 | 173.5 | -179 | 0 | 0 | 0 | 0 | 108.2 | L206 V207 C227 K229 L235 F255 | L206-V260 CarbonylContact O-C 3.56Å; L206-V260 VanDerWaalsContact O-CA 3.31Å; L206-V260 WeakPolarHBondContact O-CA 3.31Å; V207-V260 HydrophobicContact CG2-CG2 4.08Å; C227-V260 HydrophobicContact CB-CG1 4.46Å; C227-V260 WeakPolarHBondContact O-CG1 3.48Å; C227-V260 WeakPolarHBondContact SG-CG1 3.12Å; K229-V260 HydrophobicContact CD-CG2 4.26Å; K229-V260 HydrophobicContact CG-CB 4.27Å; K229-V260 HydrophobicContact CG-CG2 3.51Å; L235-V260 HydrophobicContact CD2-CG1 4Å; L235-V260 HydrophobicContact CD2-CG2 4.13Å; F255-V260 HydrophobicContact CE2-CG2 3.98Å |
| 261 | R | 90.6 | Very high | 87 | Confident | 121 Ų | 121 | 58 Ų | 58 | 46% | 0.457 | 30% | 0.303 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -128.2 | 145 | -177.1 | 61.4 | -179.5 | 171.3 | 169.7 | -2 | 111.3 | L206 G208 I263 | L206-R261 HydrophobicContact CB-CG 3.92Å; L206-R261 HydrophobicContact CD1-CG 4.31Å; L206-R261 PolarHBondContact N-O 2.69Å; L206-R261 PolarHBondContact O-N 3.31Å; G208-R261 PolarHBondContact O-NE 3.45Å; G208-R261 VanDerWaalsContact O-NE 3.12Å; G208-R261 PolarHBondContact O-NH2 3.22Å; R261-I263 HydrophobicContact CG-CG2 4.2Å |
| 262 | I | 89.4 | Confident | 87 | Confident | 56 Ų | 56 | 62 Ų | 62 | 29% | 0.287 | 32% | 0.322 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -102.1 | 126.4 | 168.9 | -60.7 | 170.9 | 0 | 0 | 0 | 106.5 | Q203 I204 L223 N224 C227 | Q203-I262 HydrophobicContact CB-CG2 3.96Å; Q203-I262 HydrophobicContact CG-CG2 4.35Å; I204-I262 WeakPolarHBondContact O-CA 3.29Å; L223-I262 HydrophobicContact CD2-CD1 4.49Å; L223-I262 HydrophobicContact CD2-CG1 4.32Å; L223-I262 HydrophobicContact CD2-CG2 3.95Å; N224-I262 VanDerWaalsContact OD1-CD1 3.24Å; N224-I262 WeakPolarHBondContact OD1-CD1 3.45Å; C227-I262 HydrophobicContact CB-CD1 4.09Å; C227-I262 HydrophobicContact CB-CG1 3.96Å |
| 263 | I | 89.8 | Confident | 87.1 | Confident | 31 Ų | 31 | 60.8 Ų | 60.8 | 16% | 0.159 | 32% | 0.316 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -120.1 | 144.9 | 175.6 | 74.6 | 173.8 | 0 | 0 | 0 | 110.5 | Q203 I204 L206 R261 A265 E366 P368 | Q203-I263 WeakPolarHBondContact CA-O 3.38Å; I204-I263 HydrophobicContact CD1-CD1 4Å; I204-I263 HydrophobicContact CD1-CG1 3.93Å; I204-I263 HydrophobicContact CG1-CD1 4.12Å; I204-I263 HydrophobicContact CG1-CG1 3.48Å; I204-I263 VanDerWaalsContact CG1-CG1 3.48Å; I204-I263 PolarHBondContact N-O 2.95Å; I204-I263 PolarHBondContact O-N 2.91Å; L206-I263 HydrophobicContact CD1-CB 4.22Å; L206-I263 HydrophobicContact CD1-CD1 3.43Å; L206-I263 VanDerWaalsContact CD1-CD1 3.43Å; L206-I263 HydrophobicContact CD1-CG1 3.46Å; L206-I263 VanDerWaalsContact CD1-CG1 3.46Å; L206-I263 HydrophobicContact CD1-CG2 3.84Å; R261-I263 HydrophobicContact CG-CG2 4.2Å; I263-A265 PolarHBondContact O-N 3.29Å; I263-E366 HydrophobicContact CD1-CB 4.17Å; I263-E366 HydrophobicContact CD1-CG 4.21Å; I263-P368 HydrophobicContact CD1-CG 4.28Å |
| 264 | D | 89.1 | Confident | 87 | Confident | 55 Ų | 55 | 58.9 Ų | 58.9 | 29% | 0.294 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -75.8 | 108.6 | 169.5 | -68 | -30.9 | 0 | 0 | 0 | 107.9 | V198 S201 Q203 V266 | V198-D264 HydrophobicContact CG1-CB 4.35Å; V198-D264 VanDerWaalsContact CG1-OD2 3.29Å; V198-D264 WeakPolarHBondContact CG1-OD2 3.42Å; S201-D264 WeakPolarHBondContact OG-CB 3.38Å; Q203-D264 WeakPolarHBondContact CG-OD1 3.3Å; Q203-D264 PolarHBondContact NE2-OD1 3.47Å; D264-V266 VanDerWaalsContact C-N 3.31Å; D264-V266 PolarHBondContact O-N 3.28Å |
| 265 | A | 87.6 | Confident | 87.1 | Confident | 0 Ų | 0 | 63.2 Ų | 63.2 | 0% | 0 | 33% | 0.328 | C | S | . | . | S | Bend | trans | -76.5 | -18.6 | -165.8 | 0 | 0 | 0 | 0 | 0 | 113.8 | P202 I204 I263 E366 L369 | P202-A265 HydrophobicContact CG-CB 4.4Å; P202-A265 VanDerWaalsContact O-CB 3.27Å; P202-A265 WeakPolarHBondContact O-CB 3.18Å; P202-A265 PolarHBondContact O-N 3.16Å; I204-A265 HydrophobicContact CD1-CB 3.97Å; I204-A265 HydrophobicContact CG1-CB 4.05Å; I204-A265 HydrophobicContact CG2-CB 4.08Å; I263-A265 PolarHBondContact O-N 3.29Å; A265-E366 PolarHBondContact O-N 2.97Å; A265-L369 HydrophobicContact CB-CB 4.17Å; A265-L369 HydrophobicContact CB-CD2 3.56Å; A265-L369 HydrophobicContact CB-CG 4.43Å |
| 266 | V | 89.2 | Confident | 87.2 | Confident | 0 Ų | 0 | 71.1 Ų | 71.1 | 0% | 0 | 36% | 0.358 | C | S | . | . | trans | -133 | 75 | 178.4 | -166.4 | 0 | 0 | 0 | 0 | 109.8 | I196 S201 P202 D264 G268 T364 V365 L369 I387 | I196-V266 HydrophobicContact CD1-CB 3.86Å; I196-V266 HydrophobicContact CD1-CG1 3.58Å; I196-V266 HydrophobicContact CG1-CB 4.36Å; I196-V266 HydrophobicContact CG1-CG1 3.97Å; I196-V266 HydrophobicContact CG2-CG1 3.84Å; S201-V266 WeakPolarHBondContact CB-O 3.12Å; P202-V266 HydrophobicContact CG-CG2 4.02Å; D264-V266 VanDerWaalsContact C-N 3.31Å; D264-V266 PolarHBondContact O-N 3.28Å; V266-G268 PolarHBondContact O-N 2.81Å; V266-T364 WeakPolarHBondContact CA-O 3.23Å; V266-T364 WeakPolarHBondContact CG1-O 3.38Å; V266-V365 HydrophobicContact CG2-CG1 4.47Å; V266-L369 HydrophobicContact CG2-CD2 4.19Å; V266-I387 HydrophobicContact CG1-CG1 4.39Å; V266-I387 HydrophobicContact CG2-CG1 4.49Å | ||
| 267 | P | 84.3 | Confident | 87.4 | Confident | 21 Ų | 21 | 65.7 Ų | 65.7 | 14% | 0.136 | 33% | 0.332 | C | S | . | . | trans | -73.1 | -6.8 | -177.6 | 30.8 | -37 | 0 | 0 | 0 | 113.7 | V198 L273 T364 | V198-P267 HydrophobicContact CG2-CB 4.07Å; P267-L273 HydrophobicContact CG-CD1 3.54Å; P267-L273 HydrophobicContact CG-CG 4.17Å; P267-T364 WeakPolarHBondContact CD-O 3.38Å | ||
| 268 | G | 83.6 | Confident | 87.5 | Confident | 3 Ų | 3 | 62 Ų | 62 | 3% | 0.031 | 31% | 0.313 | C | S | . | . | trans | 90.6 | 179.5 | 178 | 0 | 0 | 0 | 0 | 0 | 114.4 | V266 N270 S271 | V266-G268 PolarHBondContact O-N 2.81Å; G268-N270 VanDerWaalsContact C-N 3.33Å; G268-N270 PolarHBondContact O-N 3.43Å; G268-S271 PolarHBondContact O-OG 3.3Å | ||
| 269 | L | 83.6 | Confident | 87.6 | Confident | 62 Ų | 62 | 67.5 Ų | 67.5 | 33% | 0.325 | 33% | 0.33 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -66.8 | -22.7 | -170 | -81.3 | 163.5 | 0 | 0 | 0 | 115.5 | V193 F194 S271 C363 T364 | V193-L269 HydrophobicContact CG1-CD1 3.85Å; V193-L269 HydrophobicContact CG1-CD2 4.29Å; V193-L269 HydrophobicContact CG1-CG 4.08Å; F194-L269 HydrophobicContact CD1-CD1 3.51Å; F194-L269 HydrophobicContact CE1-CD1 3.61Å; F194-L269 HydrophobicContact CG-CD1 4.37Å; L269-S271 PolarHBondContact O-N 3.03Å; L269-C363 HydrophobicContact CD2-CB 4.07Å; L269-T364 HydrophobicContact CB-CG2 4.49Å; L269-T364 HydrophobicContact CD2-CG2 3.79Å; L269-T364 HydrophobicContact CG-CG2 3.66Å |
| 270 | N | 79.5 | Confident | 87.6 | Confident | 172 Ų | 172 | 63.1 Ų | 63.1 | 92% | 0.92 | 31% | 0.309 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -80.3 | -0.3 | -175.2 | -71 | -20.2 | 0 | 0 | 0 | 113.6 | G268 | G268-N270 VanDerWaalsContact C-N 3.33Å; G268-N270 PolarHBondContact O-N 3.43Å |
| 271 | S | 78.7 | Confident | 87.5 | Confident | 34 Ų | 34 | 64.1 Ų | 64.1 | 24% | 0.238 | 31% | 0.312 | C | S | . | . | S | Bend | trans | -89.3 | 155.7 | -176.7 | 62.6 | 0 | 0 | 0 | 0 | 112.3 | G268 L269 L273 | G268-S271 PolarHBondContact O-OG 3.3Å; L269-S271 PolarHBondContact O-N 3.03Å; S271-L273 PolarHBondContact O-N 3.32Å; S271-L273 VanDerWaalsContact OG-CD1 3.23Å; S271-L273 WeakPolarHBondContact OG-CD1 3.29Å; S271-L273 WeakPolarHBondContact OG-CG 3.35Å |
| 272 | D | 86.3 | Confident | 87.5 | Confident | 120 Ų | 120 | 61.3 Ų | 61.3 | 64% | 0.642 | 30% | 0.301 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | 21.7 | 176.9 | -65.4 | -33.9 | 0 | 0 | 0 | 113.6 | S274 I275 R276 | D272-S274 VanDerWaalsContact C-N 3.28Å; D272-S274 PolarHBondContact O-N 3.28Å; D272-I275 PolarHBondContact O-N 2.97Å; D272-R276 PolarHBondContact O-N 2.92Å |
| 273 | L | 87.3 | Confident | 87.6 | Confident | 2 Ų | 2 | 58.8 Ų | 58.8 | 1% | 0.01 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -60.8 | -34.3 | -177.5 | -81.3 | -179.4 | 0 | 0 | 0 | 113.2 | P267 S271 I275 R276 N277 T364 E366 | P267-L273 HydrophobicContact CG-CD1 3.54Å; P267-L273 HydrophobicContact CG-CG 4.17Å; S271-L273 PolarHBondContact O-N 3.32Å; S271-L273 VanDerWaalsContact OG-CD1 3.23Å; S271-L273 WeakPolarHBondContact OG-CD1 3.29Å; S271-L273 WeakPolarHBondContact OG-CG 3.35Å; L273-I275 PolarHBondContact O-N 2.91Å; L273-R276 PolarHBondContact O-N 3.47Å; L273-R276 VanDerWaalsContact O-N 3.1Å; L273-N277 WeakPolarHBondContact O-CB 3.28Å; L273-N277 PolarHBondContact O-N 3.31Å; L273-T364 WeakPolarHBondContact CD1-O 3.5Å; L273-E366 HydrophobicContact CD2-CB 4.46Å; L273-E366 HydrophobicContact CD2-CG 3.81Å; L273-E366 WeakPolarHBondContact CD2-OE1 2.85Å; L273-E366 WeakPolarHBondContact CD2-OE2 3.36Å |
| 274 | S | 85.3 | Confident | 87.6 | Confident | 46 Ų | 46 | 62.2 Ų | 62.2 | 32% | 0.322 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.6 | -33.6 | -179.4 | 64.9 | 0 | 0 | 0 | 0 | 112.3 | D272 F278 | D272-S274 VanDerWaalsContact C-N 3.28Å; D272-S274 PolarHBondContact O-N 3.28Å; S274-F278 PolarHBondContact O-N 2.9Å |
| 275 | I | 89.6 | Confident | 87.5 | Confident | 123 Ų | 123 | 65.6 Ų | 65.6 | 63% | 0.631 | 32% | 0.321 | S | S | * | . | H | α-helix | trans | -77.6 | -41.9 | 178.6 | -60.3 | 174.1 | 0 | 0 | 0 | 110 | D272 L273 F278 | D272-I275 PolarHBondContact O-N 2.97Å; L273-I275 PolarHBondContact O-N 2.91Å; I275-F278 WeakPolarHBondContact O-CB 3.32Å; I275-F278 PolarHBondContact O-N 3.49Å |
| 276 | R | 89.1 | Confident | 87.5 | Confident | 167 Ų | 167 | 67 Ų | 67 | 63% | 0.63 | 34% | 0.335 | S | S | * | . | H | α-helix | trans | -66.3 | -39.6 | 179.8 | -66.5 | -177.2 | 177.2 | -177.4 | -0.3 | 112.7 | D272 L273 F278 E366 | D272-R276 PolarHBondContact O-N 2.92Å; L273-R276 PolarHBondContact O-N 3.47Å; L273-R276 VanDerWaalsContact O-N 3.1Å; R276-F278 VanDerWaalsContact C-N 3.3Å; R276-F278 PolarHBondContact O-N 3.25Å; R276-E366 IonicContact NH1-OE1 3.35Å; R276-E366 PolarHBondContact NH1-OE1 3.46Å |
| 277 | N | 92.3 | Very high | 87.6 | Confident | 1 Ų | 1 | 68 Ų | 68 | 1% | 0.005 | 34% | 0.34 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -86.2 | 2.8 | -178.9 | -69 | -19.1 | 0 | 0 | 0 | 113.5 | G48 L49 L273 G362 V365 R367 | G48-N277 CarbonylContact C-O 3.42Å; G48-N277 WeakPolarHBondContact CA-O 3.45Å; L49-N277 PolarHBondContact N-O 3.49Å; L273-N277 WeakPolarHBondContact O-CB 3.28Å; L273-N277 PolarHBondContact O-N 3.31Å; N277-G362 WeakPolarHBondContact CB-O 3.29Å; N277-G362 PolarHBondContact ND2-O 3.12Å; N277-V365 PolarHBondContact ND2-O 3.48Å; N277-R367 WeakPolarHBondContact OD1-CB 3.45Å |
| 278 | F | 92.2 | Very high | 87.6 | Confident | 76 Ų | 76 | 67.6 Ų | 67.6 | 33% | 0.333 | 34% | 0.337 | S | S | . | . | S | Bend | trans | -67.2 | -44 | -171.3 | -169 | -99.6 | 0 | 0 | 0 | 113.5 | L49 F50 S274 I275 R276 | L49-F278 HydrophobicContact CD2-CD2 4.43Å; F50-F278 HydrophobicContact CB-CD1 4.42Å; F50-F278 HydrophobicContact CB-CE1 3.99Å; F50-F278 HydrophobicContact CB-CE2 4.16Å; F50-F278 HydrophobicContact CB-CZ 3.85Å; F50-F278 HydrophobicContact CD2-CZ 4.02Å; F50-F278 HydrophobicContact CG-CE1 4.29Å; F50-F278 HydrophobicContact CG-CZ 4.08Å; F50-F278 PolarHBondContact N-O 3.32Å; S274-F278 PolarHBondContact O-N 2.9Å; I275-F278 WeakPolarHBondContact O-CB 3.32Å; I275-F278 PolarHBondContact O-N 3.49Å; R276-F278 VanDerWaalsContact C-N 3.3Å; R276-F278 PolarHBondContact O-N 3.25Å |
| 279 | W | 92.5 | Very high | 87.7 | Confident | 165 Ų | 165 | 67.5 Ų | 67.5 | 63% | 0.625 | 34% | 0.336 | S | S | * | . | S | Bend | trans | -92.3 | 148.3 | -172.4 | -70 | 110.2 | 0 | 0 | 0 | 112.9 | R367 | W279-R367 VanDerWaalsContact O-CZ 3.24Å; W279-R367 PolarHBondContact O-NH1 3.22Å; W279-R367 PolarHBondContact O-NH2 3.02Å |
| 280 | P | 90.5 | Very high | 87.7 | Confident | 39 Ų | 39 | 66.7 Ų | 66.7 | 25% | 0.253 | 33% | 0.334 | S | S | . | . | trans | -65.4 | 155.7 | 179.2 | 28.7 | -34.1 | 0 | 0 | 0 | 112.6 | A47 Y282 | A47-P280 WeakPolarHBondContact O-CA 3.23Å; A47-P280 VanDerWaalsContact O-CB 3.3Å; A47-P280 WeakPolarHBondContact O-CB 3.29Å; P280-Y282 HydrophobicContact CB-CD2 4.11Å; P280-Y282 HydrophobicContact CB-CE2 3.54Å; P280-Y282 HydrophobicContact CG-CE2 4.18Å | ||
| 281 | H | 87.3 | Confident | 87.9 | Confident | 53 Ų | 53 | 69.5 Ų | 69.5 | 25% | 0.245 | 33% | 0.332 | C | S | . | . | trans | -148.1 | 71.1 | -180 | -165 | 89.1 | 0 | 0 | 0 | 109.3 | M46 P290 R367 | M46-H281 CarbonylContact O-C 3.6Å; M46-H281 PolarHBondContact O-N 3.02Å; H281-P290 WeakPolarHBondContact CE1-CG 3.5Å; H281-P290 VanDerWaalsContact NE2-CD 3.27Å; H281-P290 WeakPolarHBondContact NE2-CD 3.34Å; H281-P290 WeakPolarHBondContact NE2-CG 3.38Å; H281-R367 VanDerWaalsContact CB-NH1 3.29Å | ||
| 282 | Y | 91.1 | Very high | 88.2 | Confident | 62 Ų | 62 | 70.7 Ų | 70.7 | 24% | 0.243 | 34% | 0.336 | C | S | . | . | trans | -72.3 | 134.7 | 179.3 | -60.8 | -61.6 | 0 | 0 | 0 | 110.8 | H51 P280 S306 L311 | H51-Y282 PolarHBondContact ND1-OH 2.83Å; H51-Y282 VanDerWaalsContact ND1-OH 3.09Å; P280-Y282 HydrophobicContact CB-CD2 4.11Å; P280-Y282 HydrophobicContact CB-CE2 3.54Å; P280-Y282 HydrophobicContact CG-CE2 4.18Å; Y282-S306 WeakPolarHBondContact CB-O 3.25Å; Y282-L311 HydrophobicContact CD1-CD1 4.35Å; Y282-L311 HydrophobicContact CE1-CD1 3.74Å | ||
| 283 | L | 90.2 | Very high | 88.2 | Confident | 3 Ų | 3 | 70.3 Ų | 70.3 | 2% | 0.016 | 34% | 0.338 | C | S | . | . | trans | -117.5 | 143.7 | 179 | -67.9 | 165.9 | 0 | 0 | 0 | 109.5 | M46 E287 A289 P290 Q302 S306 | M46-L283 HydrophobicContact CE-CB 4Å; M46-L283 HydrophobicContact CE-CD1 4.08Å; M46-L283 HydrophobicContact CE-CG 4.45Å; M46-L283 HydrophobicContact SD-CB 4.45Å; M46-L283 HydrophobicContact SD-CD1 4.04Å; M46-L283 HydrophobicContact SD-CG 4.38Å; L283-E287 HydrophobicContact CB-CB 4.44Å; L283-E287 HydrophobicContact CD2-CB 4.19Å; L283-A289 VanDerWaalsContact CD2-C 3.43Å; L283-P290 HydrophobicContact CD2-CG 4.23Å; L283-Q302 HydrophobicContact CB-CG 3.72Å; L283-Q302 HydrophobicContact CD1-CG 3.68Å; L283-Q302 HydrophobicContact CG-CG 4.34Å; L283-S306 PolarHBondContact N-OG 3.37Å; L283-S306 PolarHBondContact O-N 3.02Å; L283-S306 PolarHBondContact O-OG 3.02Å | ||
| 284 | L | 90.9 | Very high | 88 | Confident | 102 Ų | 102 | 70.9 Ų | 70.9 | 53% | 0.534 | 35% | 0.345 | S | S | . | . | trans | -82.3 | 162.8 | 171.9 | -62.2 | 168.5 | 0 | 0 | 0 | 110.8 | G286 E287 T305 | L284-G286 PolarHBondContact O-N 3.49Å; L284-E287 HydrophobicContact CB-CG 3.97Å; L284-E287 PolarHBondContact N-OE2 3.3Å; L284-E287 WeakPolarHBondContact O-CB 3.4Å; L284-E287 PolarHBondContact O-N 2.95Å; L284-T305 HydrophobicContact CB-CG2 4.4Å; L284-T305 HydrophobicContact CD2-CG2 3.99Å | ||
| 285 | E | 87 | Confident | 88 | Confident | 127 Ų | 127 | 73.5 Ų | 73.5 | 59% | 0.593 | 35% | 0.347 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -57.5 | 130.6 | 174.5 | -177.8 | -178.3 | 163.6 | 0 | 0 | 110.4 | E287 T305 | E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.29Å; E285-T305 HydrophobicContact CB-CG2 3.83Å |
| 286 | G | 86.9 | Confident | 87.5 | Confident | 29 Ų | 29 | 71.5 Ų | 71.5 | 30% | 0.299 | 34% | 0.342 | S | S | . | . | T | Hydrogen-bonded Turn | trans | 81 | -5.4 | -176.2 | 0 | 0 | 0 | 0 | 0 | 115.4 | L284 G294 Q302 | L284-G286 PolarHBondContact O-N 3.49Å; G286-G294 PolarHBondContact O-N 3.36Å; G286-Q302 PolarHBondContact N-O 2.93Å |
| 287 | E | 90.3 | Very high | 87.1 | Confident | 21 Ų | 21 | 69.4 Ų | 69.4 | 10% | 0.098 | 34% | 0.339 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -77.7 | 143.8 | 173.7 | -66.7 | -173 | 156.9 | 0 | 0 | 111.6 | L283 L284 E285 R291 L292 Q302 | L283-E287 HydrophobicContact CB-CB 4.44Å; L283-E287 HydrophobicContact CD2-CB 4.19Å; L284-E287 HydrophobicContact CB-CG 3.97Å; L284-E287 PolarHBondContact N-OE2 3.3Å; L284-E287 WeakPolarHBondContact O-CB 3.4Å; L284-E287 PolarHBondContact O-N 2.95Å; E285-E287 VanDerWaalsContact C-N 3.29Å; E285-E287 PolarHBondContact O-N 3.29Å; E287-R291 WeakPolarHBondContact OE1-CA 3.43Å; E287-R291 PolarHBondContact OE1-N 2.8Å; E287-L292 WeakPolarHBondContact CA-O 3.39Å; E287-Q302 PolarHBondContact O-N 3.3Å |
| 288 | S | 85.8 | Confident | 86.7 | Confident | 12 Ų | 12 | 69.8 Ų | 69.8 | 8% | 0.084 | 34% | 0.342 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.6 | -25.9 | 172.2 | 50.7 | 0 | 0 | 0 | 0 | 112.3 | K210 L292 G294 V300 | K210-S288 VanDerWaalsContact CD-OG 3.31Å; K210-S288 WeakPolarHBondContact CD-OG 3.36Å; K210-S288 WeakPolarHBondContact CE-OG 3.34Å; S288-L292 PolarHBondContact N-O 3.28Å; S288-L292 PolarHBondContact OG-O 3.04Å; S288-G294 VanDerWaalsContact OG-CA 3.22Å; S288-G294 WeakPolarHBondContact OG-CA 3.2Å; S288-G294 PolarHBondContact OG-N 2.91Å; S288-V300 WeakPolarHBondContact CA-O 3.34Å; S288-V300 VanDerWaalsContact CB-O 3.31Å; S288-V300 WeakPolarHBondContact CB-O 3.37Å |
| 289 | A | 85 | Confident | 86.5 | Confident | 2 Ų | 2 | 66.2 Ų | 66.2 | 2% | 0.017 | 33% | 0.326 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -146.3 | 163.4 | 171.5 | 0 | 0 | 0 | 0 | 0 | 107.6 | E209 K210 L283 R291 L292 | E209-A289 HydrophobicContact CB-CB 3.97Å; K210-A289 HydrophobicContact CG-CB 4.22Å; L283-A289 VanDerWaalsContact CD2-C 3.43Å; A289-R291 PolarHBondContact O-N 3Å; A289-R291 VanDerWaalsContact O-N 3.17Å; A289-L292 HydrophobicContact CB-CB 4.2Å; A289-L292 HydrophobicContact CB-CD1 4.01Å; A289-L292 PolarHBondContact O-N 3.36Å |
| 290 | P | 83.4 | Confident | 86.3 | Confident | 44 Ų | 44 | 58.8 Ų | 58.8 | 29% | 0.286 | 30% | 0.299 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -56.9 | 124.5 | -172.5 | -24 | 32.4 | 0 | 0 | 0 | 112 | H281 L283 L292 | H281-P290 WeakPolarHBondContact CE1-CG 3.5Å; H281-P290 VanDerWaalsContact NE2-CD 3.27Å; H281-P290 WeakPolarHBondContact NE2-CD 3.34Å; H281-P290 WeakPolarHBondContact NE2-CG 3.38Å; L283-P290 HydrophobicContact CD2-CG 4.23Å; P290-L292 PolarHBondContact O-N 2.87Å |
| 291 | R | 83.2 | Confident | 86.2 | Confident | 232 Ų | 232 | 58.7 Ų | 58.7 | 88% | 0.875 | 30% | 0.298 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 63.9 | 14.3 | -179 | -48.4 | 176.7 | -178.7 | 161.6 | 0.6 | 114.4 | E287 A289 | E287-R291 WeakPolarHBondContact OE1-CA 3.43Å; E287-R291 PolarHBondContact OE1-N 2.8Å; A289-R291 PolarHBondContact O-N 3Å; A289-R291 VanDerWaalsContact O-N 3.17Å |
| 292 | L | 86.3 | Confident | 86.2 | Confident | 59 Ų | 59 | 56.5 Ų | 56.5 | 31% | 0.309 | 29% | 0.288 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -122.6 | 107.9 | 179.8 | -68.4 | 168.2 | 0 | 0 | 0 | 109.4 | Y254 E287 S288 A289 P290 G294 | Y254-L292 HydrophobicContact CD2-CD1 4.32Å; Y254-L292 HydrophobicContact CD2-CD2 4.35Å; Y254-L292 HydrophobicContact CE2-CD1 3.51Å; Y254-L292 HydrophobicContact CE2-CD2 4.34Å; E287-L292 WeakPolarHBondContact CA-O 3.39Å; S288-L292 PolarHBondContact N-O 3.28Å; S288-L292 PolarHBondContact OG-O 3.04Å; A289-L292 HydrophobicContact CB-CB 4.2Å; A289-L292 HydrophobicContact CB-CD1 4.01Å; A289-L292 PolarHBondContact O-N 3.36Å; P290-L292 PolarHBondContact O-N 2.87Å; L292-G294 PolarHBondContact O-N 3.32Å |
| 293 | T | 85.9 | Confident | 85.9 | Confident | 111 Ų | 111 | 55.4 Ų | 55.4 | 68% | 0.681 | 29% | 0.286 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -63.1 | 135.1 | 173.6 | 52.6 | 0 | 0 | 0 | 0 | 109.9 | K210 | K210-T293 PolarHBondContact NZ-O 3.45Å |
| 294 | G | 82.2 | Confident | 85.7 | Confident | 15 Ų | 15 | 56.7 Ų | 56.7 | 16% | 0.155 | 29% | 0.293 | C | S | . | . | trans | -95.5 | 156.5 | 179 | 0 | 0 | 0 | 0 | 0 | 113 | G286 S288 L292 P296 E299 | G286-G294 PolarHBondContact O-N 3.36Å; S288-G294 VanDerWaalsContact OG-CA 3.22Å; S288-G294 WeakPolarHBondContact OG-CA 3.2Å; S288-G294 PolarHBondContact OG-N 2.91Å; L292-G294 PolarHBondContact O-N 3.32Å; G294-P296 WeakPolarHBondContact O-CD 3.39Å; G294-E299 WeakPolarHBondContact CA-OE2 3.33Å | ||
| 295 | R | 85.4 | Confident | 85.6 | Confident | 101 Ų | 101 | 54.9 Ų | 54.9 | 38% | 0.381 | 29% | 0.286 | S | S | . | . | trans | -87.1 | 110.7 | 167.9 | -65.6 | -173.8 | -174.4 | -166.5 | 1.3 | 108.8 | S238 D252 E297 V298 E299 | S238-R295 PolarHBondContact O-NH1 2.92Å; D252-R295 IonicContact OD2-CZ 2.61Å; D252-R295 IonicContact OD2-NE 2.96Å; D252-R295 PolarHBondContact OD2-NE 3.22Å; D252-R295 IonicContact OD2-NH2 3.63Å; D252-R295 PolarHBondContact OD2-NH2 2.74Å; R295-E297 PolarHBondContact O-N 3.11Å; R295-V298 PolarHBondContact O-N 3.12Å; R295-V298 VanDerWaalsContact O-N 3.09Å; R295-E299 PolarHBondContact N-OE2 3.15Å; R295-E299 WeakPolarHBondContact O-CB 3.37Å; R295-E299 PolarHBondContact O-N 3.09Å | ||
| 296 | P | 79.5 | Confident | 85.7 | Confident | 81 Ų | 81 | 49.3 Ų | 49.3 | 53% | 0.526 | 26% | 0.261 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -63.4 | -20.5 | -171.4 | 25.6 | -35.3 | 0 | 0 | 0 | 113.9 | K213 G294 | K213-P296 WeakPolarHBondContact CE-O 3.39Å; K213-P296 PolarHBondContact NZ-O 3.46Å; G294-P296 WeakPolarHBondContact O-CD 3.39Å |
| 297 | E | 80.5 | Confident | 85.9 | Confident | 122 Ų | 122 | 51.7 Ų | 51.7 | 57% | 0.57 | 27% | 0.267 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -73.9 | -28.2 | 178.8 | -61 | 178.6 | 179.9 | 0 | 0 | 113.1 | R295 | R295-E297 PolarHBondContact O-N 3.11Š|
| 298 | V | 85.4 | Confident | 86 | Confident | 10 Ų | 10 | 52.4 Ų | 52.4 | 6% | 0.061 | 27% | 0.27 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -122.6 | -38.7 | -168.4 | -175.8 | 0 | 0 | 0 | 0 | 111.6 | I212 K213 A216 L235 Y239 R295 | I212-V298 HydrophobicContact CD1-CG1 4.32Å; I212-V298 HydrophobicContact CG2-CG1 4.26Å; K213-V298 PolarHBondContact N-O 2.92Å; A216-V298 HydrophobicContact CB-CB 4.43Å; A216-V298 HydrophobicContact CB-CG1 4.14Å; L235-V298 HydrophobicContact CD1-CG1 4.46Å; Y239-V298 HydrophobicContact CE2-CG1 4.02Å; R295-V298 PolarHBondContact O-N 3.12Å; R295-V298 VanDerWaalsContact O-N 3.09Å |
| 299 | E | 88 | Confident | 86.2 | Confident | 0 Ų | 0 | 55.4 Ų | 55.4 | 0% | 0 | 28% | 0.282 | C | S | . | . | B | Isolated β-bridge | trans | -105.7 | 148.4 | -172 | -60 | 171.6 | 164.7 | 0 | 0 | 110 | K210 V211 I212 K213 Y239 G294 R295 T301 | K210-E299 HydrophobicContact CD-CG 4.41Å; K210-E299 WeakPolarHBondContact CD-OE1 3.43Å; K210-E299 WeakPolarHBondContact CD-OE2 3.43Å; K210-E299 IonicContact NZ-OE1 2.73Å; K210-E299 PolarHBondContact NZ-OE1 3.19Å; K210-E299 IonicContact NZ-OE2 3.35Å; K210-E299 PolarHBondContact NZ-OE2 2.91Å; V211-E299 CarbonylContact O-C 3.59Å; V211-E299 WeakPolarHBondContact O-CA 3.4Å; I212-E299 HydrophobicContact CD1-CG 4.07Å; K213-E299 VanDerWaalsContact CE-O 3.24Å; K213-E299 WeakPolarHBondContact CE-O 3.47Å; Y239-E299 WeakPolarHBondContact CE1-OE1 3.4Å; Y239-E299 VanDerWaalsContact CZ-OE1 3.29Å; Y239-E299 VanDerWaalsContact OH-CD 3.23Å; Y239-E299 WeakPolarHBondContact OH-CG 3.42Å; Y239-E299 PolarHBondContact OH-OE1 3.22Å; G294-E299 WeakPolarHBondContact CA-OE2 3.33Å; R295-E299 PolarHBondContact N-OE2 3.15Å; R295-E299 WeakPolarHBondContact O-CB 3.37Å; R295-E299 PolarHBondContact O-N 3.09Å; E299-T301 PolarHBondContact O-N 3.03Å |
| 300 | V | 87.1 | Confident | 86.4 | Confident | 10 Ų | 10 | 57.1 Ų | 57.1 | 6% | 0.061 | 29% | 0.291 | C | S | . | . | trans | -72.4 | 115.2 | 171.4 | -178.3 | 0 | 0 | 0 | 0 | 108.3 | V211 K213 S288 D372 D376 | V211-V300 HydrophobicContact CB-CB 4.19Å; V211-V300 HydrophobicContact CB-CG2 4.04Å; V211-V300 HydrophobicContact CG1-CB 4.5Å; V211-V300 HydrophobicContact CG1-CG2 3.83Å; V211-V300 PolarHBondContact O-N 3.47Å; K213-V300 HydrophobicContact CG-CG2 4.01Å; S288-V300 WeakPolarHBondContact CA-O 3.34Å; S288-V300 VanDerWaalsContact CB-O 3.31Å; S288-V300 WeakPolarHBondContact CB-O 3.37Å; V300-D372 HydrophobicContact CG1-CB 4.29Å; V300-D376 HydrophobicContact CG2-CB 4.29Å | ||
| 301 | T | 88.6 | Confident | 86.8 | Confident | 36 Ų | 36 | 55 Ų | 55 | 22% | 0.221 | 28% | 0.278 | C | S | . | . | trans | -111.9 | 150.3 | 179.1 | 51.2 | 0 | 0 | 0 | 0 | 110.7 | E299 | E299-T301 PolarHBondContact O-N 3.03Š| ||
| 302 | Q | 88.7 | Confident | 87.2 | Confident | 8 Ų | 8 | 44.2 Ų | 44.2 | 4% | 0.037 | 24% | 0.237 | C | C | . | . | trans | -82.7 | 136.2 | 176.5 | -57.9 | -59.7 | -40 | 0 | 0 | 111.8 | W42 M46 L283 G286 E287 T371 | W42-Q302 VanDerWaalsContact NE1-OE1 3.09Å; M46-Q302 HydrophobicContact CE-CG 3.73Å; L283-Q302 HydrophobicContact CB-CG 3.72Å; L283-Q302 HydrophobicContact CD1-CG 3.68Å; L283-Q302 HydrophobicContact CG-CG 4.34Å; G286-Q302 PolarHBondContact N-O 2.93Å; E287-Q302 PolarHBondContact O-N 3.3Å; Q302-T371 PolarHBondContact NE2-O 3.33Å | ||
| 303 | D | 83.1 | Confident | 87.3 | Confident | 38 Ų | 38 | 41.5 Ų | 41.5 | 20% | 0.203 | 22% | 0.223 | C | C | . | . | S | Bend | trans | -88.9 | -17.7 | -178.4 | 58.9 | -7.1 | 0 | 0 | 0 | 113.7 | K373 Y374 | D303-K373 IonicContact OD1-NZ 3.81Å; D303-K373 PolarHBondContact OD1-NZ 3.33Å; D303-K373 IonicContact OD2-NZ 2.68Å; D303-K373 PolarHBondContact OD2-NZ 2.9Å; D303-Y374 PolarHBondContact OD2-OH 2.87Å |
| 304 | I | 86 | Confident | 87.5 | Confident | 30 Ų | 30 | 36.3 Ų | 36.3 | 15% | 0.154 | 19% | 0.192 | C | C | . | . | S | Bend | trans | -137.6 | 144.9 | 177.6 | -170.5 | 171.3 | 0 | 0 | 0 | 110.9 | W42 S306 V310 | W42-I304 HydrophobicContact CH2-CG2 3.76Å; W42-I304 HydrophobicContact CZ2-CG2 4.08Å; I304-S306 PolarHBondContact O-N 3.45Å; I304-V310 HydrophobicContact CD1-CG1 4.2Å |
| 305 | T | 89.3 | Confident | 87.9 | Confident | 65 Ų | 65 | 35.6 Ų | 35.6 | 40% | 0.399 | 18% | 0.184 | S | C | . | . | trans | -61.1 | 124.5 | 167.4 | 54.3 | 0 | 0 | 0 | 0 | 110.5 | L284 E285 | L284-T305 HydrophobicContact CB-CG2 4.4Å; L284-T305 HydrophobicContact CD2-CG2 3.99Å; E285-T305 HydrophobicContact CB-CG2 3.83Å | ||
| 306 | S | 88.9 | Confident | 88.2 | Confident | 9 Ų | 9 | 30.8 Ų | 30.8 | 6% | 0.063 | 17% | 0.166 | C | C | . | . | trans | -102 | 126.4 | -178.7 | 58.6 | 0 | 0 | 0 | 0 | 110.8 | M46 Y282 L283 I304 | M46-S306 WeakPolarHBondContact CE-OG 3.39Å; Y282-S306 WeakPolarHBondContact CB-O 3.25Å; L283-S306 PolarHBondContact N-OG 3.37Å; L283-S306 PolarHBondContact O-N 3.02Å; L283-S306 PolarHBondContact O-OG 3.02Å; I304-S306 PolarHBondContact O-N 3.45Å | ||
| 307 | D | 90.9 | Very high | 88.7 | Confident | 80 Ų | 80 | 27 Ų | 27 | 43% | 0.428 | 14% | 0.142 | S | C | . | . | trans | -139 | 165.1 | 169.3 | -170.3 | 20.1 | 0 | 0 | 0 | 108.8 | F309 V310 L311 | D307-F309 PolarHBondContact O-N 3.33Å; D307-V310 HydrophobicContact CB-CG2 4.45Å; D307-V310 PolarHBondContact O-N 3.48Å; D307-V310 VanDerWaalsContact O-N 3.12Å; D307-L311 WeakPolarHBondContact O-CG 3.48Å; D307-L311 PolarHBondContact O-N 2.92Å | ||
| 308 | F | 92 | Very high | 89.2 | Confident | 36 Ų | 36 | 21.4 Ų | 21.4 | 16% | 0.158 | 12% | 0.116 | C | C | . | . | H | α-helix | trans | -51.4 | -43.6 | -177.2 | 178.6 | -95.3 | 0 | 0 | 0 | 112.7 | H51 I54 I55 L58 L312 | H51-F308 HydrophobicContact CB-CD2 4.14Å; H51-F308 HydrophobicContact CB-CE2 4.2Å; H51-F308 AromaticContact ND1-CD2 3.46Å; H51-F308 WeakPolarHBondContact ND1-CD2 3.48Å; H51-F308 AromaticContact ND1-CE2 3.97Å; I54-F308 HydrophobicContact CG2-CE2 4.33Å; I54-F308 HydrophobicContact CG2-CZ 4Å; I55-F308 HydrophobicContact CD1-CD2 3.95Å; I55-F308 HydrophobicContact CD1-CE2 3.95Å; I55-F308 HydrophobicContact CG1-CD2 3.91Å; I55-F308 HydrophobicContact CG1-CE2 3.4Å; I55-F308 VanDerWaalsContact CG1-CE2 3.4Å; I55-F308 HydrophobicContact CG1-CZ 3.77Å; L58-F308 HydrophobicContact CD1-CZ 4.35Å; F308-L312 HydrophobicContact CE1-CD1 4.18Å; F308-L312 WeakPolarHBondContact O-CB 3.27Å; F308-L312 PolarHBondContact O-N 3.06Å |
| 309 | F | 90.9 | Very high | 89.6 | Confident | 75 Ų | 75 | 20.9 Ų | 20.9 | 33% | 0.329 | 11% | 0.113 | S | C | . | . | H | α-helix | trans | -75.2 | -34.3 | -178.2 | -61.1 | -68.6 | 0 | 0 | 0 | 113.1 | D307 L312 A313 A520 | D307-F309 PolarHBondContact O-N 3.33Å; F309-L312 PolarHBondContact O-N 3.39Å; F309-A313 PolarHBondContact O-N 2.78Å; F309-A520 HydrophobicContact CD1-CB 3.66Å; F309-A520 HydrophobicContact CE1-CB 3.64Å; F309-A520 HydrophobicContact CG-CB 4.49Å; F309-A520 HydrophobicContact CZ-CB 4.45Å |
| 310 | V | 88.9 | Confident | 89.7 | Confident | 37 Ų | 37 | 20.9 Ų | 20.9 | 22% | 0.224 | 11% | 0.113 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 174.7 | 177.3 | 0 | 0 | 0 | 0 | 109.8 | I304 D307 L312 A313 I314 | I304-V310 HydrophobicContact CD1-CG1 4.2Å; D307-V310 HydrophobicContact CB-CG2 4.45Å; D307-V310 PolarHBondContact O-N 3.48Å; D307-V310 VanDerWaalsContact O-N 3.12Å; V310-L312 VanDerWaalsContact C-N 3.29Å; V310-L312 PolarHBondContact O-N 2.83Å; V310-A313 PolarHBondContact O-N 2.68Å; V310-I314 HydrophobicContact CG1-CD1 3.87Å; V310-I314 WeakPolarHBondContact O-CG1 3.45Å; V310-I314 PolarHBondContact O-N 2.63Å |
| 311 | L | 91.6 | Very high | 89.6 | Confident | 0 Ų | 0 | 20.4 Ų | 20.4 | 0% | 0 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -63.7 | -36.5 | 175.6 | -65.5 | -179.6 | 0 | 0 | 0 | 112.2 | W42 V43 M46 A47 I55 Y282 D307 A313 I314 F315 | W42-L311 HydrophobicContact CE3-CD2 4.08Å; W42-L311 HydrophobicContact CH2-CD2 3.86Å; W42-L311 HydrophobicContact CZ3-CD2 3.51Å; V43-L311 HydrophobicContact CG2-CD2 4.39Å; M46-L311 HydrophobicContact CB-CD1 3.76Å; M46-L311 HydrophobicContact CB-CD2 4.42Å; A47-L311 HydrophobicContact CB-CD1 3.83Å; I55-L311 HydrophobicContact CD1-CB 3.99Å; Y282-L311 HydrophobicContact CD1-CD1 4.35Å; Y282-L311 HydrophobicContact CE1-CD1 3.74Å; D307-L311 WeakPolarHBondContact O-CG 3.48Å; D307-L311 PolarHBondContact O-N 2.92Å; L311-A313 VanDerWaalsContact C-N 3.34Å; L311-I314 PolarHBondContact O-N 3.06Å; L311-F315 WeakPolarHBondContact O-CB 3.24Å; L311-F315 PolarHBondContact O-N 3.33Å |
| 312 | L | 91.5 | Very high | 89.7 | Confident | 5 Ų | 5 | 18.7 Ų | 18.7 | 3% | 0.026 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -62.8 | -41.1 | 175.1 | -173.2 | 148.3 | 0 | 0 | 0 | 111.7 | I55 L58 F308 F309 V310 F315 F316 I517 | I55-L312 HydrophobicContact CG1-CB 4.45Å; I55-L312 HydrophobicContact CG2-CB 4.1Å; I55-L312 HydrophobicContact CG2-CG 4.2Å; L58-L312 HydrophobicContact CD1-CD1 4.37Å; F308-L312 HydrophobicContact CE1-CD1 4.18Å; F308-L312 WeakPolarHBondContact O-CB 3.27Å; F308-L312 PolarHBondContact O-N 3.06Å; F309-L312 PolarHBondContact O-N 3.39Å; V310-L312 VanDerWaalsContact C-N 3.29Å; V310-L312 PolarHBondContact O-N 2.83Å; L312-F315 PolarHBondContact O-N 2.74Å; L312-F316 WeakPolarHBondContact O-CB 3.34Å; L312-F316 PolarHBondContact O-N 2.93Å; L312-I517 HydrophobicContact CD2-CB 4.34Å; L312-I517 HydrophobicContact CD2-CD1 4.36Å; L312-I517 HydrophobicContact CD2-CG1 4.22Å; L312-I517 HydrophobicContact CD2-CG2 3.35Å |
| 313 | A | 88.6 | Confident | 89.5 | Confident | 2 Ų | 2 | 18.4 Ų | 18.4 | 2% | 0.017 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -72.9 | -28.5 | 175.1 | 0 | 0 | 0 | 0 | 0 | 113.5 | F309 V310 L311 F315 P317 P467 D470 T521 | F309-A313 PolarHBondContact O-N 2.78Å; V310-A313 PolarHBondContact O-N 2.68Å; L311-A313 VanDerWaalsContact C-N 3.34Å; A313-F315 VanDerWaalsContact C-N 3.32Å; A313-P317 WeakPolarHBondContact O-CD 3.31Å; A313-P467 HydrophobicContact CB-CB 4.47Å; A313-P467 HydrophobicContact CB-CG 4.33Å; A313-D470 WeakPolarHBondContact CA-OD2 3.48Å; A313-T521 HydrophobicContact CB-CG2 3.38Å |
| 314 | I | 89.5 | Confident | 89.4 | Confident | 3 Ų | 3 | 16.6 Ų | 16.6 | 2% | 0.015 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -73.6 | -32.1 | 172.5 | -67.2 | 168.3 | 0 | 0 | 0 | 110.2 | I35 R39 W42 V310 L311 P317 D463 | I35-I314 WeakPolarHBondContact CD1-O 3.34Å; R39-I314 HydrophobicContact CB-CG2 4.49Å; W42-I314 HydrophobicContact CH2-CD1 4.14Å; W42-I314 HydrophobicContact CZ3-CD1 3.78Å; V310-I314 HydrophobicContact CG1-CD1 3.87Å; V310-I314 WeakPolarHBondContact O-CG1 3.45Å; V310-I314 PolarHBondContact O-N 2.63Å; L311-I314 PolarHBondContact O-N 3.06Å; I314-P317 WeakPolarHBondContact O-CD 3.49Å; I314-D463 HydrophobicContact CD1-CB 4.45Å |
| 315 | F | 91.8 | Very high | 89 | Confident | 0 Ų | 0 | 15.2 Ų | 15.2 | 0% | 0 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -83.3 | -34.8 | -178.7 | -176.8 | -97.4 | 0 | 0 | 0 | 114.1 | I35 L40 I55 V56 C59 L311 L312 A313 P317 A318 V319 F354 | I35-F315 HydrophobicContact CG2-CD2 4.43Å; L40-F315 HydrophobicContact CD1-CD2 4.19Å; L40-F315 HydrophobicContact CD1-CE2 3.8Å; I55-F315 HydrophobicContact CG2-CB 4.09Å; I55-F315 HydrophobicContact CG2-CD1 4.13Å; I55-F315 HydrophobicContact CG2-CG 4.29Å; V56-F315 HydrophobicContact CB-CE1 3.9Å; V56-F315 HydrophobicContact CB-CZ 4.08Å; V56-F315 HydrophobicContact CG1-CE1 3.96Å; V56-F315 HydrophobicContact CG1-CZ 3.87Å; V56-F315 HydrophobicContact CG2-CD1 3.82Å; V56-F315 HydrophobicContact CG2-CD2 4.2Å; V56-F315 HydrophobicContact CG2-CE1 3.33Å; V56-F315 HydrophobicContact CG2-CE2 3.76Å; V56-F315 HydrophobicContact CG2-CG 4.24Å; V56-F315 HydrophobicContact CG2-CZ 3.3Å; C59-F315 HydrophobicContact CB-CD1 4.13Å; C59-F315 HydrophobicContact CB-CE1 4.13Å; L311-F315 WeakPolarHBondContact O-CB 3.24Å; L311-F315 PolarHBondContact O-N 3.33Å; L312-F315 PolarHBondContact O-N 2.74Å; A313-F315 VanDerWaalsContact C-N 3.32Å; F315-P317 VanDerWaalsContact C-N 3.35Å; F315-A318 HydrophobicContact CD2-CB 4.33Å; F315-A318 HydrophobicContact CE2-CB 4.07Å; F315-A318 HydrophobicContact CZ-CB 4.28Å; F315-A318 WeakPolarHBondContact O-CB 3.28Å; F315-A318 PolarHBondContact O-N 3.33Å; F315-V319 HydrophobicContact CE1-CG1 3.83Å; F315-V319 HydrophobicContact CZ-CG1 4.29Å; F315-F354 HydrophobicContact CZ-CB 4.39Å; F315-F354 HydrophobicContact CZ-CD2 4.27Å; F315-F354 HydrophobicContact CZ-CG 4.17Å |
| 316 | F | 91.5 | Very high | 88.5 | Confident | 0 Ų | 0 | 12.1 Ų | 12.1 | 0% | 0 | 6% | 0.063 | C | C | . | . | G | 310 helix | trans | -54.4 | -36.9 | -172.6 | -173.1 | -91 | 0 | 0 | 0 | 115.1 | C59 V62 L312 A318 V319 T320 D470 F473 L474 Y477 | C59-F316 HydrophobicContact CB-CD2 4.08Å; V62-F316 HydrophobicContact CB-CE2 4.36Å; V62-F316 HydrophobicContact CG1-CE2 4.22Å; V62-F316 HydrophobicContact CG1-CZ 4.33Å; L312-F316 WeakPolarHBondContact O-CB 3.34Å; L312-F316 PolarHBondContact O-N 2.93Å; F316-A318 PolarHBondContact O-N 3.3Å; F316-V319 HydrophobicContact CD2-CG2 4.02Å; F316-V319 HydrophobicContact CE2-CG2 4.13Å; F316-V319 HydrophobicContact CG-CG2 4.39Å; F316-V319 WeakPolarHBondContact O-CG2 2.95Å; F316-V319 PolarHBondContact O-N 2.98Å; F316-T320 HydrophobicContact CD1-CG2 3.9Å; F316-T320 HydrophobicContact CE1-CG2 3.71Å; F316-T320 WeakPolarHBondContact O-CG2 3.35Å; F316-D470 WeakPolarHBondContact CB-OD2 3.23Å; F316-D470 HydrophobicContact CD1-CB 4.07Å; F316-D470 WeakPolarHBondContact CD1-OD1 3.28Å; F316-F473 HydrophobicContact CE1-CB 4.28Å; F316-L474 HydrophobicContact CD1-CD2 4.42Å; F316-L474 HydrophobicContact CD1-CG 4.15Å; F316-L474 HydrophobicContact CD2-CD2 4.25Å; F316-L474 HydrophobicContact CE1-CD1 4.42Å; F316-L474 HydrophobicContact CE1-CD2 3.73Å; F316-L474 HydrophobicContact CE1-CG 3.61Å; F316-L474 HydrophobicContact CE2-CD2 3.54Å; F316-L474 HydrophobicContact CE2-CG 4.3Å; F316-L474 HydrophobicContact CZ-CD2 3.24Å; F316-L474 HydrophobicContact CZ-CG 3.7Å; F316-Y477 HydrophobicContact CE1-CD2 4.5Å; F316-Y477 HydrophobicContact CE1-CE2 4.23Å; F316-Y477 AromaticContact CZ-CD2 4Å; F316-Y477 HydrophobicContact CZ-CD2 4Å; F316-Y477 AromaticContact CZ-CE2 3.99Å; F316-Y477 HydrophobicContact CZ-CE2 3.99Å |
| 317 | P | 90.4 | Very high | 87.9 | Confident | 2 Ų | 2 | 12.9 Ų | 12.9 | 1% | 0.013 | 7% | 0.066 | C | C | . | . | G | 310 helix | trans | -61.8 | -21.1 | 177.8 | -6 | 13.5 | 0 | 0 | 0 | 112.6 | I35 M114 A313 I314 F315 V319 T320 A466 D470 | I35-P317 HydrophobicContact CD1-CB 3.5Å; I35-P317 VanDerWaalsContact CD1-CB 3.5Å; I35-P317 HydrophobicContact CD1-CG 3.56Å; M114-P317 HydrophobicContact CE-CB 3.9Å; M114-P317 HydrophobicContact SD-CB 3.74Å; M114-P317 HydrophobicContact SD-CG 4.06Å; A313-P317 WeakPolarHBondContact O-CD 3.31Å; I314-P317 WeakPolarHBondContact O-CD 3.49Å; F315-P317 VanDerWaalsContact C-N 3.35Å; P317-V319 VanDerWaalsContact C-N 3.31Å; P317-V319 PolarHBondContact O-N 2.92Å; P317-T320 PolarHBondContact O-N 3.08Å; P317-T320 PolarHBondContact O-OG1 3.06Å; P317-A466 HydrophobicContact CG-CB 3.78Å; P317-D470 WeakPolarHBondContact CD-OD1 3.34Å; P317-D470 WeakPolarHBondContact CG-OD1 3.42Å |
| 318 | A | 91.1 | Very high | 87 | Confident | 3 Ų | 3 | 9.8 Ų | 9.8 | 3% | 0.025 | 5% | 0.049 | C | C | . | . | G | 310 helix | trans | -66.4 | -26.7 | 175.3 | 0 | 0 | 0 | 0 | 0 | 113.8 | V31 I35 F315 F316 F354 | V31-A318 VanDerWaalsContact CG1-O 3.3Å; V31-A318 WeakPolarHBondContact CG1-O 3.36Å; I35-A318 HydrophobicContact CB-CB 3.97Å; I35-A318 HydrophobicContact CD1-CB 4.47Å; I35-A318 HydrophobicContact CG2-CB 3.88Å; F315-A318 HydrophobicContact CD2-CB 4.33Å; F315-A318 HydrophobicContact CE2-CB 4.07Å; F315-A318 HydrophobicContact CZ-CB 4.28Å; F315-A318 WeakPolarHBondContact O-CB 3.28Å; F315-A318 PolarHBondContact O-N 3.33Å; F316-A318 PolarHBondContact O-N 3.3Å; A318-F354 HydrophobicContact CB-CZ 4.32Å; A318-F354 VanDerWaalsContact O-CZ 3.31Å; A318-F354 WeakPolarHBondContact O-CZ 3.2Å |
| 319 | V | 92.2 | Very high | 86.1 | Confident | 0 Ų | 0 | 8.3 Ų | 8.3 | 0% | 0 | 4% | 0.043 | C | C | . | . | G | 310 helix | trans | -94.7 | -1.4 | 177.4 | -61.1 | 0 | 0 | 0 | 0 | 112.6 | C59 T63 F315 F316 P317 F354 | C59-V319 HydrophobicContact CB-CG1 4.1Å; C59-V319 HydrophobicContact CB-CG2 3.78Å; T63-V319 HydrophobicContact CG2-CB 4.1Å; T63-V319 HydrophobicContact CG2-CG2 3.75Å; T63-V319 WeakPolarHBondContact CG2-O 3.37Å; F315-V319 HydrophobicContact CE1-CG1 3.83Å; F315-V319 HydrophobicContact CZ-CG1 4.29Å; F316-V319 HydrophobicContact CD2-CG2 4.02Å; F316-V319 HydrophobicContact CE2-CG2 4.13Å; F316-V319 HydrophobicContact CG-CG2 4.39Å; F316-V319 WeakPolarHBondContact O-CG2 2.95Å; F316-V319 PolarHBondContact O-N 2.98Å; P317-V319 VanDerWaalsContact C-N 3.31Å; P317-V319 PolarHBondContact O-N 2.92Å; V319-F354 HydrophobicContact CG1-CD2 4.19Å; V319-F354 HydrophobicContact CG1-CE2 3.93Å |
| 320 | T | 91 | Very high | 85.1 | Confident | 0 Ų | 0 | 5.7 Ų | 5.7 | 0% | 0 | 4% | 0.037 | C | C | . | . | trans | -78.4 | 167.6 | -179 | 70 | 0 | 0 | 0 | 0 | 112.1 | V31 F316 P317 F473 Y477 | V31-T320 VanDerWaalsContact CG2-O 3.27Å; V31-T320 WeakPolarHBondContact CG2-O 3.21Å; F316-T320 HydrophobicContact CD1-CG2 3.9Å; F316-T320 HydrophobicContact CE1-CG2 3.71Å; F316-T320 WeakPolarHBondContact O-CG2 3.35Å; P317-T320 PolarHBondContact O-N 3.08Å; P317-T320 PolarHBondContact O-OG1 3.06Å; T320-F473 HydrophobicContact CG2-CB 4.02Å; T320-F473 HydrophobicContact CG2-CD2 3.56Å; T320-F473 HydrophobicContact CG2-CE2 4.17Å; T320-F473 HydrophobicContact CG2-CG 3.89Å; T320-Y477 HydrophobicContact CG2-CE2 4.46Å | ||
| 321 | G | 85.4 | Confident | 84.5 | Confident | 0 Ų | 0 | 6.4 Ų | 6.4 | 0% | 0 | 4% | 0.04 | C | C | . | . | trans | 102.2 | 6.6 | 179.3 | 0 | 0 | 0 | 0 | 0 | 115.7 | N30 M323 T324 | N30-G321 VanDerWaalsContact ND2-CA 3.29Å; N30-G321 WeakPolarHBondContact ND2-CA 3.49Å; G321-M323 PolarHBondContact O-N 3.02Å; G321-M323 VanDerWaalsContact O-N 3.1Å; G321-T324 WeakPolarHBondContact O-CB 3.33Å; G321-T324 PolarHBondContact O-N 3.08Å; G321-T324 PolarHBondContact O-OG1 2.95Å | ||
| 322 | I | 89.6 | Confident | 83.8 | Confident | 0 Ų | 0 | 7.1 Ų | 7.1 | 0% | 0 | 4% | 0.043 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.4 | -24.4 | 179 | 63.5 | 173.1 | 0 | 0 | 0 | 114 | T66 T343 Y477 | T66-I322 HydrophobicContact CG2-CD1 3.86Å; I322-T343 HydrophobicContact CB-CG2 4.1Å; I322-T343 WeakPolarHBondContact O-CG2 3.47Å; I322-Y477 HydrophobicContact CD1-CD1 4.49Å; I322-Y477 HydrophobicContact CD1-CE1 4.01Å; I322-Y477 HydrophobicContact CG1-CE1 4.03Å |
| 323 | M | 85.8 | Confident | 83.3 | Confident | 1 Ų | 1 | 11 Ų | 11 | 1% | 0.005 | 6% | 0.064 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -87.3 | -4.5 | -179.3 | -63.6 | -165 | -62.4 | 0 | 0 | 113.5 | L70 F104 G321 G325 C326 Y477 I480 | L70-M323 HydrophobicContact CD2-CG 4.01Å; F104-M323 HydrophobicContact CB-CE 4.33Å; F104-M323 HydrophobicContact CD1-CE 3.81Å; F104-M323 HydrophobicContact CD2-CE 3.17Å; F104-M323 HydrophobicContact CE1-CB 4.07Å; F104-M323 HydrophobicContact CE1-CE 3.86Å; F104-M323 HydrophobicContact CE2-CB 4.22Å; F104-M323 HydrophobicContact CE2-CE 3.18Å; F104-M323 HydrophobicContact CG-CE 3.52Å; F104-M323 HydrophobicContact CZ-CB 3.65Å; F104-M323 HydrophobicContact CZ-CE 3.59Å; G321-M323 PolarHBondContact O-N 3.02Å; G321-M323 VanDerWaalsContact O-N 3.1Å; M323-G325 VanDerWaalsContact C-N 3.27Å; M323-G325 PolarHBondContact O-N 2.92Å; M323-C326 WeakPolarHBondContact O-CB 3.42Å; M323-C326 PolarHBondContact O-N 3.33Å; M323-Y477 HydrophobicContact CE-CE1 4.21Å; M323-I480 HydrophobicContact CE-CD1 4.32Å; M323-I480 HydrophobicContact SD-CD1 3.54Å; M323-I480 VanDerWaalsContact SD-CD1 3.54Å |
| 324 | T | 81.5 | Confident | 83.2 | Confident | 1 Ų | 1 | 15.6 Ų | 15.6 | 1% | 0.006 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -60.9 | -37.2 | -179.9 | -50.9 | 0 | 0 | 0 | 0 | 111.7 | P26 N30 G321 C326 N327 Q409 | P26-T324 HydrophobicContact CB-CG2 4.46Å; N30-T324 HydrophobicContact CB-CG2 4.18Å; G321-T324 WeakPolarHBondContact O-CB 3.33Å; G321-T324 PolarHBondContact O-N 3.08Å; G321-T324 PolarHBondContact O-OG1 2.95Å; T324-C326 PolarHBondContact O-N 3.36Å; T324-N327 VanDerWaalsContact O-CB 3.24Å; T324-N327 WeakPolarHBondContact O-CB 3.4Å; T324-N327 PolarHBondContact O-N 3.34Å; T324-Q409 HydrophobicContact CG2-CG 4.12Å |
| 325 | G | 75.9 | Confident | 82.9 | Confident | 0 Ų | 0 | 16.3 Ų | 16.3 | 0% | 0 | 9% | 0.094 | C | C | . | . | H | α-helix | trans | -63.1 | -22.3 | 174.7 | 0 | 0 | 0 | 0 | 0 | 114.5 | T27 M323 N327 | T27-G325 PolarHBondContact OG1-N 3.45Å; M323-G325 VanDerWaalsContact C-N 3.27Å; M323-G325 PolarHBondContact O-N 2.92Å; G325-N327 VanDerWaalsContact C-N 3.35Å |
| 326 | C | 79.1 | Confident | 82.7 | Confident | 1 Ų | 1 | 19 Ų | 19 | 1% | 0.007 | 11% | 0.106 | C | C | . | . | H | α-helix | trans | -79.5 | -17.6 | 174.1 | -65.9 | 0 | 0 | 0 | 0 | 112.8 | G83 P84 M323 T324 M328 S329 I339 | G83-C326 WeakPolarHBondContact CA-O 3.46Å; P84-C326 HydrophobicContact CB-CB 3.76Å; P84-C326 WeakPolarHBondContact CD-O 3.29Å; M323-C326 WeakPolarHBondContact O-CB 3.42Å; M323-C326 PolarHBondContact O-N 3.33Å; T324-C326 PolarHBondContact O-N 3.36Å; C326-M328 VanDerWaalsContact C-N 3.3Å; C326-M328 PolarHBondContact O-N 3.37Å; C326-S329 WeakPolarHBondContact O-CB 3.31Å; C326-S329 PolarHBondContact O-N 2.99Å; C326-S329 PolarHBondContact O-OG 3.49Å; C326-I339 VanDerWaalsContact SG-CG2 3.53Å |
| 327 | N | 77.1 | Confident | 82.6 | Confident | 24 Ų | 24 | 25.9 Ų | 25.9 | 13% | 0.128 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -67.2 | -31.6 | -179.9 | -63.3 | -18.4 | 0 | 0 | 0 | 112.4 | P84 T324 G325 S329 C413 | P84-N327 WeakPolarHBondContact CD-OD1 3.43Å; P84-N327 WeakPolarHBondContact CG-OD1 3.45Å; T324-N327 VanDerWaalsContact O-CB 3.24Å; T324-N327 WeakPolarHBondContact O-CB 3.4Å; T324-N327 PolarHBondContact O-N 3.34Å; G325-N327 VanDerWaalsContact C-N 3.35Å; N327-S329 VanDerWaalsContact C-N 3.3Å; N327-C413 PolarHBondContact ND2-SG 3.23Å |
| 328 | M | 71.4 | Confident | 82.6 | Confident | 16 Ų | 16 | 26.1 Ų | 26.1 | 8% | 0.079 | 14% | 0.137 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -93.4 | 14.2 | 178.4 | -57.3 | -172.7 | -174.2 | 0 | 0 | 112.7 | P26 C326 G330 D331 | P26-M328 HydrophobicContact CB-CE 3.99Å; P26-M328 HydrophobicContact CB-SD 4.37Å; P26-M328 HydrophobicContact CG-CE 3.92Å; P26-M328 HydrophobicContact CG-SD 3.84Å; C326-M328 VanDerWaalsContact C-N 3.3Å; C326-M328 PolarHBondContact O-N 3.37Å; M328-G330 PolarHBondContact O-N 2.97Å; M328-G330 VanDerWaalsContact O-N 3.15Å; M328-D331 PolarHBondContact O-N 3.03Å |
| 329 | S | 74.1 | Confident | 82.5 | Confident | 4 Ų | 4 | 26 Ų | 26 | 3% | 0.028 | 14% | 0.136 | C | C | . | . | G | 310 helix | trans | -65.8 | -21.1 | -170.4 | 59.5 | 0 | 0 | 0 | 0 | 115.3 | G83 C326 N327 D331 | G83-S329 WeakPolarHBondContact CA-OG 3.28Å; G83-S329 PolarHBondContact N-OG 2.96Å; C326-S329 WeakPolarHBondContact O-CB 3.31Å; C326-S329 PolarHBondContact O-N 2.99Å; C326-S329 PolarHBondContact O-OG 3.49Å; N327-S329 VanDerWaalsContact C-N 3.3Å; S329-D331 VanDerWaalsContact C-N 3.27Å |
| 330 | G | 70 | Confident | 82.5 | Confident | 20 Ų | 20 | 26.5 Ų | 26.5 | 21% | 0.206 | 14% | 0.14 | C | C | . | . | G | 310 helix | trans | -71.7 | -20.1 | 171.1 | 0 | 0 | 0 | 0 | 0 | 114.2 | M328 | M328-G330 PolarHBondContact O-N 2.97Å; M328-G330 VanDerWaalsContact O-N 3.15Å |
| 331 | D | 74.5 | Confident | 82.6 | Confident | 52 Ų | 52 | 31.2 Ų | 31.2 | 28% | 0.278 | 16% | 0.164 | S | C | . | . | G | 310 helix | trans | -103.6 | 8.6 | -177.9 | -59.9 | -38 | 0 | 0 | 0 | 112 | A15 L17 M328 S329 | A15-D331 HydrophobicContact CB-CB 4.35Å; A15-D331 CarbonylContact O-C 3.5Å; L17-D331 VanDerWaalsContact CB-O 3.26Å; L17-D331 WeakPolarHBondContact CB-O 3.45Å; L17-D331 HydrophobicContact CD1-CB 3.76Å; L17-D331 HydrophobicContact CG-CB 4.4Å; L17-D331 PolarHBondContact N-O 2.98Å; M328-D331 PolarHBondContact O-N 3.03Å; S329-D331 VanDerWaalsContact C-N 3.27Å |
| 332 | L | 78.8 | Confident | 83 | Confident | 15 Ų | 15 | 31.2 Ų | 31.2 | 8% | 0.079 | 16% | 0.164 | C | C | . | . | B | Isolated β-bridge | trans | -89.6 | 141.4 | 176.7 | -66 | 173.1 | 0 | 0 | 0 | 110.6 | L17 V23 P335 I339 | L17-L332 HydrophobicContact CB-CD2 4.13Å; V23-L332 HydrophobicContact CG2-CD1 3.54Å; V23-L332 HydrophobicContact CG2-CD2 3.76Å; V23-L332 HydrophobicContact CG2-CG 4.32Å; L332-P335 HydrophobicContact CB-CB 4.23Å; L332-P335 HydrophobicContact CD1-CB 4.11Å; L332-I339 HydrophobicContact CD1-CD1 4.27Å; L332-I339 HydrophobicContact CD1-CG1 3.85Å |
| 333 | D | 80.9 | Confident | 83.1 | Confident | 87 Ų | 87 | 31.3 Ų | 31.3 | 47% | 0.465 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -65.3 | -46.8 | 173.6 | -162.9 | 40.4 | 0 | 0 | 0 | 111 | K16 L17 | K16-D333 HydrophobicContact CB-CB 4.35Å; K16-D333 IonicContact NZ-OD1 3.95Å; K16-D333 PolarHBondContact NZ-OD1 3.16Å; L17-D333 PolarHBondContact O-N 3.32Å |
| 334 | D | 85.3 | Confident | 83.5 | Confident | 99 Ų | 99 | 32.8 Ų | 32.8 | 53% | 0.529 | 17% | 0.173 | S | C | . | . | trans | -133 | 90.8 | 175.8 | -86.1 | -31.4 | 0 | 0 | 0 | 111 | Q336 K337 S338 | D334-Q336 PolarHBondContact O-N 3.01Å; D334-K337 HydrophobicContact CB-CB 4.45Å; D334-K337 PolarHBondContact O-N 2.98Å; D334-S338 WeakPolarHBondContact O-CB 3.31Å; D334-S338 PolarHBondContact O-N 2.88Å; D334-S338 PolarHBondContact O-OG 3.34Å | ||
| 335 | P | 84.3 | Confident | 84.2 | Confident | 18 Ų | 18 | 34.7 Ų | 34.7 | 12% | 0.117 | 19% | 0.186 | C | C | . | . | H | α-helix | trans | -65.8 | -35.1 | -178.5 | 24.9 | -35.4 | 0 | 0 | 0 | 113.1 | F79 L332 K337 S338 I339 | F79-P335 HydrophobicContact CB-CB 4.25Å; F79-P335 HydrophobicContact CB-CG 3.51Å; F79-P335 HydrophobicContact CD1-CB 3.54Å; F79-P335 HydrophobicContact CD1-CG 3.46Å; F79-P335 VanDerWaalsContact CD1-CG 3.46Å; F79-P335 HydrophobicContact CD2-CB 3.93Å; F79-P335 HydrophobicContact CD2-CG 4.14Å; F79-P335 HydrophobicContact CE1-CB 3.72Å; F79-P335 HydrophobicContact CE1-CG 4.16Å; F79-P335 HydrophobicContact CE2-CB 4.07Å; F79-P335 HydrophobicContact CG-CB 3.62Å; F79-P335 HydrophobicContact CG-CG 3.42Å; F79-P335 VanDerWaalsContact CG-CG 3.42Å; F79-P335 HydrophobicContact CZ-CB 3.91Å; L332-P335 HydrophobicContact CB-CB 4.23Å; L332-P335 HydrophobicContact CD1-CB 4.11Å; P335-K337 VanDerWaalsContact C-N 3.27Å; P335-K337 PolarHBondContact O-N 3.31Å; P335-S338 PolarHBondContact O-N 3.2Å; P335-I339 HydrophobicContact CB-CD1 3.95Å; P335-I339 WeakPolarHBondContact O-CB 3.18Å; P335-I339 WeakPolarHBondContact O-CG1 3.33Å; P335-I339 PolarHBondContact O-N 3.08Å |
| 336 | Q | 86.7 | Confident | 85 | Confident | 56 Ų | 56 | 34.7 Ų | 34.7 | 26% | 0.262 | 19% | 0.186 | S | C | . | . | H | α-helix | trans | -63.4 | -31.7 | -178 | -62.1 | -171.4 | -8.4 | 0 | 0 | 113.3 | G77 F79 D334 P340 | G77-Q336 PolarHBondContact O-NE2 3.45Å; F79-Q336 HydrophobicContact CB-CG 4.02Å; F79-Q336 HydrophobicContact CD2-CG 4.37Å; D334-Q336 PolarHBondContact O-N 3.01Å; Q336-P340 WeakPolarHBondContact O-CD 3.14Å; Q336-P340 VanDerWaalsContact O-CG 3.32Å; Q336-P340 WeakPolarHBondContact O-CG 3.18Å |
| 337 | K | 88.5 | Confident | 85.7 | Confident | 145 Ų | 145 | 34.8 Ų | 34.8 | 63% | 0.63 | 19% | 0.186 | S | C | * | . | H | α-helix | trans | -91.7 | -42.5 | 176.6 | -175.2 | -179.4 | 176.4 | -175.2 | 0 | 111.2 | D334 P335 L341 | D334-K337 HydrophobicContact CB-CB 4.45Å; D334-K337 PolarHBondContact O-N 2.98Å; P335-K337 VanDerWaalsContact C-N 3.27Å; P335-K337 PolarHBondContact O-N 3.31Å; K337-L341 VanDerWaalsContact O-CB 3.32Å; K337-L341 WeakPolarHBondContact O-CB 3.32Å; K337-L341 PolarHBondContact O-N 2.92Å |
| 338 | S | 90.4 | Very high | 86.5 | Confident | 6 Ų | 6 | 38.4 Ų | 38.4 | 4% | 0.042 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.2 | -38.2 | -173.4 | -63.3 | 0 | 0 | 0 | 0 | 113.2 | T19 D334 P335 G342 | T19-S338 WeakPolarHBondContact CG2-O 3.33Å; T19-S338 WeakPolarHBondContact OG1-CB 3.22Å; T19-S338 PolarHBondContact OG1-OG 3.08Å; D334-S338 WeakPolarHBondContact O-CB 3.31Å; D334-S338 PolarHBondContact O-N 2.88Å; D334-S338 PolarHBondContact O-OG 3.34Å; P335-S338 PolarHBondContact O-N 3.2Å; S338-G342 WeakPolarHBondContact O-CA 3.31Å; S338-G342 PolarHBondContact O-N 3.18Å |
| 339 | I | 89.8 | Confident | 87.6 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -66.9 | -54.8 | -177.4 | -67.6 | 165.7 | 0 | 0 | 0 | 111.5 | V23 A74 F79 C326 L332 P335 L341 G342 T343 | V23-I339 HydrophobicContact CG2-CG1 4.31Å; A74-I339 HydrophobicContact CB-CB 4.25Å; A74-I339 HydrophobicContact CB-CG2 3.97Å; F79-I339 HydrophobicContact CE1-CD1 4.16Å; F79-I339 HydrophobicContact CE2-CD1 3.42Å; F79-I339 VanDerWaalsContact CE2-CD1 3.42Å; F79-I339 HydrophobicContact CZ-CD1 3.16Å; C326-I339 VanDerWaalsContact SG-CG2 3.53Å; L332-I339 HydrophobicContact CD1-CD1 4.27Å; L332-I339 HydrophobicContact CD1-CG1 3.85Å; P335-I339 HydrophobicContact CB-CD1 3.95Å; P335-I339 WeakPolarHBondContact O-CB 3.18Å; P335-I339 WeakPolarHBondContact O-CG1 3.33Å; P335-I339 PolarHBondContact O-N 3.08Å; I339-L341 VanDerWaalsContact C-N 3.35Å; I339-L341 PolarHBondContact O-N 3.32Å; I339-G342 PolarHBondContact O-N 3.01Å; I339-T343 WeakPolarHBondContact O-CB 3.46Å; I339-T343 PolarHBondContact O-N 3.07Å; I339-T343 PolarHBondContact O-OG1 3.38Å |
| 340 | P | 92.4 | Very high | 88.6 | Confident | 10 Ų | 10 | 39.9 Ų | 39.9 | 7% | 0.065 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -57.3 | -46.9 | 177.6 | -26.5 | 35.7 | 0 | 0 | 0 | 112.9 | A71 T75 Q336 I344 F499 | A71-P340 HydrophobicContact CB-CB 3.69Å; A71-P340 HydrophobicContact CB-CG 3.88Å; T75-P340 HydrophobicContact CG2-CG 4.09Å; Q336-P340 WeakPolarHBondContact O-CD 3.14Å; Q336-P340 VanDerWaalsContact O-CG 3.32Å; Q336-P340 WeakPolarHBondContact O-CG 3.18Å; P340-I344 VanDerWaalsContact O-CB 3.32Å; P340-I344 WeakPolarHBondContact O-CB 3.46Å; P340-I344 VanDerWaalsContact O-CG1 3.27Å; P340-I344 WeakPolarHBondContact O-CG1 3.04Å; P340-I344 PolarHBondContact O-N 2.91Å; P340-I344 VanDerWaalsContact O-N 3.16Å; P340-F499 HydrophobicContact CB-CD2 4.35Å; P340-F499 HydrophobicContact CB-CE2 4.02Å |
| 341 | L | 93.2 | Very high | 89.7 | Confident | 99 Ų | 99 | 39.7 Ų | 39.7 | 52% | 0.518 | 21% | 0.211 | S | C | . | . | H | α-helix | trans | -67.7 | -44.9 | -176.3 | -176 | 64.1 | 0 | 0 | 0 | 111.4 | T19 K337 I339 S345 | T19-L341 HydrophobicContact CG2-CB 4.18Å; T19-L341 HydrophobicContact CG2-CD2 4.25Å; T19-L341 HydrophobicContact CG2-CG 4.28Å; K337-L341 VanDerWaalsContact O-CB 3.32Å; K337-L341 WeakPolarHBondContact O-CB 3.32Å; K337-L341 PolarHBondContact O-N 2.92Å; I339-L341 VanDerWaalsContact C-N 3.35Å; I339-L341 PolarHBondContact O-N 3.32Å; L341-S345 VanDerWaalsContact O-CB 3.25Å; L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.12Å; L341-S345 VanDerWaalsContact O-N 3.13Å; L341-S345 PolarHBondContact O-OG 2.76Å |
| 342 | G | 92.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 44 Ų | 44 | 0% | 0 | 23% | 0.227 | C | C | . | . | H | α-helix | trans | -69.7 | -44.1 | -178.3 | 0 | 0 | 0 | 0 | 0 | 113.2 | S338 I339 S345 A346 | S338-G342 WeakPolarHBondContact O-CA 3.31Å; S338-G342 PolarHBondContact O-N 3.18Å; I339-G342 PolarHBondContact O-N 3.01Å; G342-S345 PolarHBondContact O-OG 2.73Å; G342-S345 VanDerWaalsContact O-OG 3.12Å; G342-A346 WeakPolarHBondContact O-CB 3.39Å; G342-A346 PolarHBondContact O-N 2.8Å |
| 343 | T | 93.4 | Very high | 91.4 | Very high | 3 Ų | 3 | 43.8 Ų | 43.8 | 2% | 0.018 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -70.6 | -43.7 | -179.2 | -58 | 0 | 0 | 0 | 0 | 112 | I322 I339 A346 Q347 | I322-T343 HydrophobicContact CB-CG2 4.1Å; I322-T343 WeakPolarHBondContact O-CG2 3.47Å; I339-T343 WeakPolarHBondContact O-CB 3.46Å; I339-T343 PolarHBondContact O-N 3.07Å; I339-T343 PolarHBondContact O-OG1 3.38Å; T343-A346 PolarHBondContact O-N 2.81Å; T343-Q347 WeakPolarHBondContact O-CB 3.23Å; T343-Q347 PolarHBondContact O-N 3.36Å |
| 344 | I | 94.3 | Very high | 92.1 | Very high | 32 Ų | 32 | 39.7 Ų | 39.7 | 16% | 0.164 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -67.5 | -42.8 | 179.8 | -65.9 | 171.9 | 0 | 0 | 0 | 110.6 | F64 P340 Q347 L348 F499 | F64-I344 HydrophobicContact CE2-CG2 4.37Å; P340-I344 VanDerWaalsContact O-CB 3.32Å; P340-I344 WeakPolarHBondContact O-CB 3.46Å; P340-I344 VanDerWaalsContact O-CG1 3.27Å; P340-I344 WeakPolarHBondContact O-CG1 3.04Å; P340-I344 PolarHBondContact O-N 2.91Å; P340-I344 VanDerWaalsContact O-N 3.16Å; I344-Q347 PolarHBondContact O-N 3.09Å; I344-L348 HydrophobicContact CG2-CD1 4.11Å; I344-L348 HydrophobicContact CG2-CG 4.47Å; I344-L348 WeakPolarHBondContact O-CG 3.49Å; I344-L348 PolarHBondContact O-N 3Å; I344-F499 HydrophobicContact CD1-CE1 4.33Å; I344-F499 HydrophobicContact CD1-CZ 3.7Å |
| 345 | S | 94.2 | Very high | 92.5 | Very high | 41 Ų | 41 | 38 Ų | 38 | 29% | 0.287 | 20% | 0.195 | S | C | . | . | H | α-helix | trans | -65.6 | -38.9 | 176.7 | 56.5 | 0 | 0 | 0 | 0 | 112.4 | Y24 L341 G342 L348 T349 | Y24-S345 VanDerWaalsContact CD2-OG 3.27Å; Y24-S345 WeakPolarHBondContact CD2-OG 3.39Å; L341-S345 VanDerWaalsContact O-CB 3.25Å; L341-S345 WeakPolarHBondContact O-CB 3.4Å; L341-S345 PolarHBondContact O-N 3.12Å; L341-S345 VanDerWaalsContact O-N 3.13Å; L341-S345 PolarHBondContact O-OG 2.76Å; G342-S345 PolarHBondContact O-OG 2.73Å; G342-S345 VanDerWaalsContact O-OG 3.12Å; S345-L348 PolarHBondContact O-N 2.95Å; S345-T349 WeakPolarHBondContact O-CB 3.49Å; S345-T349 PolarHBondContact O-N 2.97Å; S345-T349 PolarHBondContact O-OG1 3.23Å |
| 346 | A | 93.8 | Very high | 93 | Very high | 0 Ų | 0 | 37.8 Ų | 37.8 | 0% | 0 | 19% | 0.194 | C | C | . | . | H | α-helix | trans | -60.1 | -49 | 174.1 | 0 | 0 | 0 | 0 | 0 | 110.8 | Y24 T27 I28 G342 T343 L348 T349 T350 | Y24-A346 HydrophobicContact CD2-CB 3.88Å; Y24-A346 HydrophobicContact CE2-CB 4.26Å; T27-A346 HydrophobicContact CG2-CB 3.74Å; I28-A346 HydrophobicContact CD1-CB 4.48Å; I28-A346 HydrophobicContact CG1-CB 3.78Å; G342-A346 WeakPolarHBondContact O-CB 3.39Å; G342-A346 PolarHBondContact O-N 2.8Å; T343-A346 PolarHBondContact O-N 2.81Å; A346-L348 PolarHBondContact O-N 2.98Å; A346-T349 WeakPolarHBondContact O-CB 3.35Å; A346-T349 PolarHBondContact O-N 3.13Å; A346-T349 VanDerWaalsContact O-N 3.16Å; A346-T350 WeakPolarHBondContact O-CG2 3.3Å; A346-T350 PolarHBondContact O-N 3Å; A346-T350 PolarHBondContact O-OG1 2.95Å |
| 347 | Q | 93.7 | Very high | 93.3 | Very high | 2 Ų | 2 | 35.2 Ų | 35.2 | 1% | 0.009 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -59.8 | -44.4 | 178.9 | -175.6 | 61.6 | 31.8 | 0 | 0 | 112.5 | T63 T343 I344 T349 T350 S351 | T63-Q347 PolarHBondContact OG1-NE2 3.09Å; T343-Q347 WeakPolarHBondContact O-CB 3.23Å; T343-Q347 PolarHBondContact O-N 3.36Å; I344-Q347 PolarHBondContact O-N 3.09Å; Q347-T349 VanDerWaalsContact C-N 3.31Å; Q347-T349 PolarHBondContact O-N 2.78Å; Q347-T350 WeakPolarHBondContact CA-OG1 3.42Å; Q347-T350 PolarHBondContact O-N 3.4Å; Q347-T350 PolarHBondContact O-OG1 3.45Å; Q347-S351 PolarHBondContact NE2-OG 3.5Å; Q347-S351 VanDerWaalsContact O-CB 3.3Å; Q347-S351 WeakPolarHBondContact O-CB 3.01Å; Q347-S351 PolarHBondContact O-N 3.46Å; Q347-S351 PolarHBondContact O-OG 3.24Å |
| 348 | L | 94.7 | Very high | 93.5 | Very high | 101 Ų | 101 | 28.3 Ų | 28.3 | 53% | 0.529 | 15% | 0.152 | S | C | . | . | H | α-helix | trans | -64.1 | -38.6 | 177.8 | -70.8 | 173.9 | 0 | 0 | 0 | 111.7 | F64 I344 S345 A346 F352 | F64-L348 HydrophobicContact CE2-CD2 4.23Å; I344-L348 HydrophobicContact CG2-CD1 4.11Å; I344-L348 HydrophobicContact CG2-CG 4.47Å; I344-L348 WeakPolarHBondContact O-CG 3.49Å; I344-L348 PolarHBondContact O-N 3Å; S345-L348 PolarHBondContact O-N 2.95Å; A346-L348 PolarHBondContact O-N 2.98Å; L348-F352 WeakPolarHBondContact O-CB 3.36Å; L348-F352 PolarHBondContact O-N 2.85Å; L348-F352 VanDerWaalsContact O-N 3.1Å |
| 349 | T | 94.2 | Very high | 93.7 | Very high | 50 Ų | 50 | 30.5 Ų | 30.5 | 31% | 0.307 | 17% | 0.165 | S | C | . | . | H | α-helix | trans | -64.9 | -48 | 177.1 | -52 | 0 | 0 | 0 | 0 | 110.7 | Y24 I28 S345 A346 Q347 F352 V353 | Y24-T349 PolarHBondContact OH-OG1 3.33Å; I28-T349 HydrophobicContact CD1-CG2 4.17Å; S345-T349 WeakPolarHBondContact O-CB 3.49Å; S345-T349 PolarHBondContact O-N 2.97Å; S345-T349 PolarHBondContact O-OG1 3.23Å; A346-T349 WeakPolarHBondContact O-CB 3.35Å; A346-T349 PolarHBondContact O-N 3.13Å; A346-T349 VanDerWaalsContact O-N 3.16Å; Q347-T349 VanDerWaalsContact C-N 3.31Å; Q347-T349 PolarHBondContact O-N 2.78Å; T349-F352 PolarHBondContact O-N 2.95Å; T349-V353 WeakPolarHBondContact O-CG2 3.29Å; T349-V353 PolarHBondContact O-N 3.22Å; T349-V353 VanDerWaalsContact O-N 3.07Å |
| 350 | T | 93.7 | Very high | 93.8 | Very high | 0 Ų | 0 | 32.3 Ų | 32.3 | 0% | 0 | 17% | 0.173 | C | C | . | . | H | α-helix | trans | -68.7 | -41.4 | -177.2 | 55.3 | 0 | 0 | 0 | 0 | 111.6 | I28 V31 F32 A346 Q347 F352 V353 F354 | I28-T350 HydrophobicContact CG1-CG2 4.19Å; V31-T350 HydrophobicContact CB-CG2 3.97Å; V31-T350 HydrophobicContact CG1-CG2 3.59Å; F32-T350 HydrophobicContact CD1-CG2 4.27Å; F32-T350 HydrophobicContact CE1-CG2 3.7Å; F32-T350 HydrophobicContact CE2-CG2 4.46Å; F32-T350 HydrophobicContact CZ-CG2 3.8Å; A346-T350 WeakPolarHBondContact O-CG2 3.3Å; A346-T350 PolarHBondContact O-N 3Å; A346-T350 PolarHBondContact O-OG1 2.95Å; Q347-T350 WeakPolarHBondContact CA-OG1 3.42Å; Q347-T350 PolarHBondContact O-N 3.4Å; Q347-T350 PolarHBondContact O-OG1 3.45Å; T350-F352 VanDerWaalsContact C-N 3.32Å; T350-F352 PolarHBondContact O-N 2.75Å; T350-V353 PolarHBondContact O-N 2.96Å; T350-F354 WeakPolarHBondContact O-CD2 3.16Å; T350-F354 VanDerWaalsContact O-CG 3.3Å; T350-F354 WeakPolarHBondContact O-CG 3.35Å; T350-F354 PolarHBondContact O-N 3.22Å |
| 351 | S | 94.3 | Very high | 93.8 | Very high | 17 Ų | 17 | 31.9 Ų | 31.9 | 12% | 0.119 | 17% | 0.17 | C | C | . | . | H | α-helix | trans | -59.9 | -41.4 | 174.5 | -67.6 | 0 | 0 | 0 | 0 | 112.2 | C60 Q347 F354 I355 | C60-S351 WeakPolarHBondContact CB-OG 3.4Å; C60-S351 PolarHBondContact SG-OG 3.47Å; Q347-S351 PolarHBondContact NE2-OG 3.5Å; Q347-S351 VanDerWaalsContact O-CB 3.3Å; Q347-S351 WeakPolarHBondContact O-CB 3.01Å; Q347-S351 PolarHBondContact O-N 3.46Å; Q347-S351 PolarHBondContact O-OG 3.24Å; S351-F354 PolarHBondContact O-N 2.72Å; S351-I355 VanDerWaalsContact O-CG1 3.28Å; S351-I355 WeakPolarHBondContact O-CG1 3.34Å; S351-I355 PolarHBondContact O-N 3Å |
| 352 | F | 95.3 | Very high | 93.7 | Very high | 142 Ų | 142 | 27.1 Ų | 27.1 | 62% | 0.623 | 15% | 0.145 | S | C | * | . | H | α-helix | trans | -61.8 | -46.1 | 175 | 177 | -97 | 0 | 0 | 0 | 111.6 | L348 T349 T350 F354 I355 S356 | L348-F352 WeakPolarHBondContact O-CB 3.36Å; L348-F352 PolarHBondContact O-N 2.85Å; L348-F352 VanDerWaalsContact O-N 3.1Å; T349-F352 PolarHBondContact O-N 2.95Å; T350-F352 VanDerWaalsContact C-N 3.32Å; T350-F352 PolarHBondContact O-N 2.75Å; F352-F354 PolarHBondContact O-N 3.12Å; F352-I355 PolarHBondContact O-N 2.9Å; F352-S356 WeakPolarHBondContact O-CB 3.35Å; F352-S356 PolarHBondContact O-N 3.35Å; F352-S356 PolarHBondContact O-OG 3.16Å |
| 353 | V | 94.3 | Very high | 93.6 | Very high | 11 Ų | 11 | 28.3 Ų | 28.3 | 7% | 0.067 | 15% | 0.153 | C | C | . | . | H | α-helix | trans | -60.3 | -47.6 | 177.5 | 174.2 | 0 | 0 | 0 | 0 | 110.9 | F32 M36 I186 T349 T350 I355 S356 F357 | F32-V353 HydrophobicContact CE1-CB 4.11Å; F32-V353 HydrophobicContact CE1-CG1 4.04Å; F32-V353 HydrophobicContact CZ-CB 4.1Å; F32-V353 HydrophobicContact CZ-CG1 4.18Å; F32-V353 HydrophobicContact CZ-CG2 4.01Å; M36-V353 HydrophobicContact SD-CG1 4.08Å; I186-V353 HydrophobicContact CD1-CG1 4.35Å; I186-V353 HydrophobicContact CG2-CG1 4.36Å; T349-V353 WeakPolarHBondContact O-CG2 3.29Å; T349-V353 PolarHBondContact O-N 3.22Å; T349-V353 VanDerWaalsContact O-N 3.07Å; T350-V353 PolarHBondContact O-N 2.96Å; V353-I355 PolarHBondContact O-N 3.22Å; V353-S356 WeakPolarHBondContact CA-OG 3.44Å; V353-S356 PolarHBondContact O-N 2.86Å; V353-S356 PolarHBondContact O-OG 3.5Å; V353-F357 HydrophobicContact CG1-CD2 4.01Å; V353-F357 HydrophobicContact CG1-CE2 3.88Å; V353-F357 HydrophobicContact CG1-CZ 4.38Å; V353-F357 WeakPolarHBondContact O-CD2 3.44Å; V353-F357 PolarHBondContact O-N 3.11Å |
| 354 | F | 94.6 | Very high | 93.5 | Very high | 0 Ų | 0 | 28.1 Ų | 28.1 | 0% | 0 | 15% | 0.152 | C | C | . | . | H | α-helix | trans | -60.4 | -46.3 | 178.9 | -63.9 | -40.5 | 0 | 0 | 0 | 113.1 | V31 F32 M36 V56 F315 A318 V319 T350 S351 F352 S356 F357 I358 | V31-F354 HydrophobicContact CG1-CE2 3.97Å; V31-F354 HydrophobicContact CG1-CZ 3.87Å; F32-F354 HydrophobicContact CD1-CE1 4.27Å; F32-F354 HydrophobicContact CD1-CZ 4.3Å; F32-F354 HydrophobicContact CE1-CE1 4.41Å; F32-F354 HydrophobicContact CE1-CZ 4.48Å; M36-F354 HydrophobicContact CB-CE1 3.93Å; M36-F354 HydrophobicContact CG-CD1 3.91Å; M36-F354 HydrophobicContact CG-CE1 3.62Å; M36-F354 HydrophobicContact SD-CD1 4.01Å; M36-F354 HydrophobicContact SD-CE1 3.61Å; V56-F354 HydrophobicContact CG1-CB 3.78Å; F315-F354 HydrophobicContact CZ-CB 4.39Å; F315-F354 HydrophobicContact CZ-CD2 4.27Å; F315-F354 HydrophobicContact CZ-CG 4.17Å; A318-F354 HydrophobicContact CB-CZ 4.32Å; A318-F354 VanDerWaalsContact O-CZ 3.31Å; A318-F354 WeakPolarHBondContact O-CZ 3.2Å; V319-F354 HydrophobicContact CG1-CD2 4.19Å; V319-F354 HydrophobicContact CG1-CE2 3.93Å; T350-F354 WeakPolarHBondContact O-CD2 3.16Å; T350-F354 VanDerWaalsContact O-CG 3.3Å; T350-F354 WeakPolarHBondContact O-CG 3.35Å; T350-F354 PolarHBondContact O-N 3.22Å; S351-F354 PolarHBondContact O-N 2.72Å; F352-F354 PolarHBondContact O-N 3.12Å; F354-S356 PolarHBondContact O-N 3.39Å; F354-F357 PolarHBondContact O-N 3.22Å; F354-I358 WeakPolarHBondContact O-CG1 3.35Å; F354-I358 PolarHBondContact O-N 2.88Å |
| 355 | I | 94.2 | Very high | 93.3 | Very high | 63 Ų | 63 | 26.6 Ų | 26.6 | 32% | 0.323 | 14% | 0.144 | S | C | . | . | H | α-helix | trans | -63.3 | -44.2 | 178.7 | -68.1 | 167.6 | 0 | 0 | 0 | 110.4 | L53 V56 V57 S351 F352 V353 F357 I358 V359 | L53-I355 HydrophobicContact CD2-CG2 3.98Å; V56-I355 HydrophobicContact CG1-CG1 4.26Å; V57-I355 HydrophobicContact CG2-CD1 4.49Å; S351-I355 VanDerWaalsContact O-CG1 3.28Å; S351-I355 WeakPolarHBondContact O-CG1 3.34Å; S351-I355 PolarHBondContact O-N 3Å; F352-I355 PolarHBondContact O-N 2.9Å; V353-I355 PolarHBondContact O-N 3.22Å; I355-F357 VanDerWaalsContact C-N 3.35Å; I355-F357 PolarHBondContact O-N 3.22Å; I355-I358 PolarHBondContact O-N 3.34Å; I355-V359 WeakPolarHBondContact O-CG2 3.49Å; I355-V359 PolarHBondContact O-N 2.61Å |
| 356 | S | 94 | Very high | 93.1 | Very high | 14 Ų | 14 | 26.1 Ų | 26.1 | 10% | 0.098 | 14% | 0.137 | C | C | . | . | H | α-helix | trans | -62.9 | -39.5 | 178.9 | 69.3 | 0 | 0 | 0 | 0 | 112.7 | Y190 F352 V353 F354 I358 V359 F360 | Y190-S356 WeakPolarHBondContact CE1-OG 3.32Å; Y190-S356 PolarHBondContact OH-OG 2.97Å; F352-S356 WeakPolarHBondContact O-CB 3.35Å; F352-S356 PolarHBondContact O-N 3.35Å; F352-S356 PolarHBondContact O-OG 3.16Å; V353-S356 WeakPolarHBondContact CA-OG 3.44Å; V353-S356 PolarHBondContact O-N 2.86Å; V353-S356 PolarHBondContact O-OG 3.5Å; F354-S356 PolarHBondContact O-N 3.39Å; S356-I358 PolarHBondContact O-N 3.38Å; S356-V359 PolarHBondContact O-N 3.34Å; S356-F360 WeakPolarHBondContact O-CB 3.15Å; S356-F360 WeakPolarHBondContact O-CD2 3.32Å; S356-F360 VanDerWaalsContact O-CG 3.26Å; S356-F360 WeakPolarHBondContact O-CG 3.36Å; S356-F360 PolarHBondContact O-N 3.28Å |
| 357 | F | 93.1 | Very high | 93 | Very high | 2 Ų | 2 | 27.8 Ų | 27.8 | 1% | 0.009 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -66.1 | -39.1 | 179.2 | -88.5 | -138.1 | 0 | 0 | 0 | 111.8 | M36 L40 I186 V189 Y190 V353 F354 I355 V359 F360 Y361 | M36-F357 HydrophobicContact CE-CE1 4.12Å; M36-F357 HydrophobicContact CG-CD1 4.49Å; L40-F357 HydrophobicContact CD2-CB 3.53Å; L40-F357 HydrophobicContact CD2-CD1 4.09Å; L40-F357 HydrophobicContact CD2-CG 4.27Å; I186-F357 HydrophobicContact CB-CZ 4.38Å; I186-F357 HydrophobicContact CG1-CZ 4.22Å; I186-F357 HydrophobicContact CG2-CE2 4.05Å; I186-F357 HydrophobicContact CG2-CZ 4.07Å; V189-F357 HydrophobicContact CB-CZ 4.15Å; V189-F357 HydrophobicContact CG1-CE1 4.32Å; V189-F357 HydrophobicContact CG1-CZ 4.15Å; Y190-F357 HydrophobicContact CD1-CE2 4.21Å; Y190-F357 AromaticContact CE1-CD2 3.86Å; Y190-F357 HydrophobicContact CE1-CD2 3.86Å; Y190-F357 AromaticContact CE1-CE2 3.61Å; Y190-F357 HydrophobicContact CE1-CE2 3.61Å; Y190-F357 HydrophobicContact CE2-CE2 4.3Å; Y190-F357 AromaticContact CZ-CE2 3.71Å; V353-F357 HydrophobicContact CG1-CD2 4.01Å; V353-F357 HydrophobicContact CG1-CE2 3.88Å; V353-F357 HydrophobicContact CG1-CZ 4.38Å; V353-F357 WeakPolarHBondContact O-CD2 3.44Å; V353-F357 PolarHBondContact O-N 3.11Å; F354-F357 PolarHBondContact O-N 3.22Å; I355-F357 VanDerWaalsContact C-N 3.35Å; I355-F357 PolarHBondContact O-N 3.22Å; F357-V359 VanDerWaalsContact C-N 3.34Å; F357-V359 PolarHBondContact O-N 3.47Å; F357-F360 PolarHBondContact O-N 3.41Å; F357-Y361 HydrophobicContact CB-CE2 4.26Å; F357-Y361 HydrophobicContact CD1-CE2 4.09Å; F357-Y361 WeakPolarHBondContact O-CB 3.46Å; F357-Y361 VanDerWaalsContact O-CD2 3.26Å; F357-Y361 WeakPolarHBondContact O-CD2 2.9Å; F357-Y361 PolarHBondContact O-N 3.02Å |
| 358 | I | 93.7 | Very high | 92.8 | Very high | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.9 | -46.2 | 175.4 | -69.6 | 164 | 0 | 0 | 0 | 111.1 | L40 V44 L49 A52 L53 V56 F354 I355 S356 G362 | L40-I358 HydrophobicContact CD1-CD1 4.36Å; L40-I358 HydrophobicContact CD1-CG1 3.83Å; L40-I358 HydrophobicContact CG-CG1 4.46Å; V44-I358 HydrophobicContact CG2-CB 4.13Å; V44-I358 HydrophobicContact CG2-CG1 3.93Å; V44-I358 HydrophobicContact CG2-CG2 3.99Å; L49-I358 HydrophobicContact CD1-CG2 3.86Å; A52-I358 HydrophobicContact CB-CG2 3.92Å; L53-I358 HydrophobicContact CD2-CB 4.39Å; L53-I358 HydrophobicContact CD2-CG2 3.9Å; L53-I358 HydrophobicContact CG-CG2 3.93Å; V56-I358 HydrophobicContact CB-CD1 3.7Å; V56-I358 HydrophobicContact CG1-CD1 4.1Å; V56-I358 HydrophobicContact CG2-CD1 3.24Å; V56-I358 HydrophobicContact CG2-CG1 4.49Å; F354-I358 WeakPolarHBondContact O-CG1 3.35Å; F354-I358 PolarHBondContact O-N 2.88Å; I355-I358 PolarHBondContact O-N 3.34Å; S356-I358 PolarHBondContact O-N 3.38Å; I358-G362 PolarHBondContact O-N 3.08Å |
| 359 | V | 93.1 | Very high | 92.6 | Very high | 53 Ų | 53 | 24 Ų | 24 | 32% | 0.321 | 13% | 0.125 | S | C | . | . | H | α-helix | trans | -63.2 | -45.2 | 177.7 | 175.6 | 0 | 0 | 0 | 0 | 110.3 | L49 L53 I355 S356 F357 G362 C363 | L49-V359 HydrophobicContact CD1-CG2 4.45Å; L53-V359 HydrophobicContact CD2-CG2 4.34Å; I355-V359 WeakPolarHBondContact O-CG2 3.49Å; I355-V359 PolarHBondContact O-N 2.61Å; S356-V359 PolarHBondContact O-N 3.34Å; F357-V359 VanDerWaalsContact C-N 3.34Å; F357-V359 PolarHBondContact O-N 3.47Å; V359-G362 PolarHBondContact O-N 3.41Å; V359-C363 WeakPolarHBondContact O-CB 3.47Å; V359-C363 PolarHBondContact O-N 2.82Å; V359-C363 PolarHBondContact O-SG 3.49Å |
| 360 | F | 92.5 | Very high | 92.5 | Very high | 38 Ų | 38 | 21.6 Ų | 21.6 | 17% | 0.167 | 11% | 0.11 | C | C | . | . | H | α-helix | trans | -65.3 | -45.5 | 179.7 | -67.2 | -33 | 0 | 0 | 0 | 113.1 | Y190 V193 F194 S356 F357 G362 C363 T364 | Y190-F360 AromaticContact CD1-CD2 3.69Å; Y190-F360 HydrophobicContact CD1-CD2 3.69Å; Y190-F360 AromaticContact CD1-CE2 3.3Å; Y190-F360 HydrophobicContact CD1-CE2 3.3Å; Y190-F360 HydrophobicContact CD1-CZ 4.41Å; Y190-F360 AromaticContact CE1-CD2 3.7Å; Y190-F360 HydrophobicContact CE1-CD2 3.7Å; Y190-F360 AromaticContact CE1-CE2 3.33Å; Y190-F360 HydrophobicContact CE1-CE2 3.33Å; V193-F360 HydrophobicContact CG1-CB 4.07Å; V193-F360 HydrophobicContact CG1-CD1 3.7Å; V193-F360 HydrophobicContact CG1-CD2 4.48Å; V193-F360 HydrophobicContact CG1-CE1 4.24Å; V193-F360 HydrophobicContact CG1-CG 3.84Å; V193-F360 HydrophobicContact CG2-CB 3.89Å; V193-F360 HydrophobicContact CG2-CG 4.23Å; F194-F360 HydrophobicContact CE2-CZ 4.47Å; F194-F360 HydrophobicContact CZ-CE1 4.41Å; F194-F360 HydrophobicContact CZ-CZ 4.32Å; S356-F360 WeakPolarHBondContact O-CB 3.15Å; S356-F360 WeakPolarHBondContact O-CD2 3.32Å; S356-F360 VanDerWaalsContact O-CG 3.26Å; S356-F360 WeakPolarHBondContact O-CG 3.36Å; S356-F360 PolarHBondContact O-N 3.28Å; F357-F360 PolarHBondContact O-N 3.41Å; F360-G362 PolarHBondContact O-N 3.37Å; F360-C363 PolarHBondContact O-N 3.41Å; F360-T364 WeakPolarHBondContact O-CB 3.38Å; F360-T364 WeakPolarHBondContact O-CG2 3.47Å; F360-T364 PolarHBondContact O-N 3.46Å; F360-T364 PolarHBondContact O-OG1 3.29Å |
| 361 | Y | 92 | Very high | 92.3 | Very high | 1 Ų | 1 | 22.2 Ų | 22.2 | 0% | 0.004 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -63 | -43.3 | 175.1 | -66.6 | -35.2 | 0 | 0 | 0 | 112 | L40 H41 F357 C363 V365 S384 I387 | L40-Y361 HydrophobicContact CB-CE2 4.27Å; L40-Y361 HydrophobicContact CD2-CE2 4.19Å; L40-Y361 HydrophobicContact CG-CD2 4.31Å; L40-Y361 HydrophobicContact CG-CE2 4.12Å; H41-Y361 HydrophobicContact CB-CD2 4.14Å; H41-Y361 HydrophobicContact CB-CE2 4.24Å; H41-Y361 HydrophobicContact CB-CG 4.41Å; F357-Y361 HydrophobicContact CB-CE2 4.26Å; F357-Y361 HydrophobicContact CD1-CE2 4.09Å; F357-Y361 WeakPolarHBondContact O-CB 3.46Å; F357-Y361 VanDerWaalsContact O-CD2 3.26Å; F357-Y361 WeakPolarHBondContact O-CD2 2.9Å; F357-Y361 PolarHBondContact O-N 3.02Å; Y361-C363 VanDerWaalsContact C-N 3.31Å; Y361-C363 PolarHBondContact O-N 2.86Å; Y361-V365 HydrophobicContact CD1-CG2 4.43Å; Y361-V365 PolarHBondContact O-N 2.91Å; Y361-S384 WeakPolarHBondContact OH-CB 3.38Å; Y361-I387 HydrophobicContact CD1-CD1 3.88Å; Y361-I387 HydrophobicContact CE1-CD1 3.81Å |
| 362 | G | 91.6 | Very high | 92 | Very high | 0 Ų | 0 | 21.5 Ų | 21.5 | 0% | 0 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66.1 | -28.6 | 178.8 | 0 | 0 | 0 | 0 | 0 | 114.3 | N277 I358 V359 F360 | N277-G362 WeakPolarHBondContact CB-O 3.29Å; N277-G362 PolarHBondContact ND2-O 3.12Å; I358-G362 PolarHBondContact O-N 3.08Å; V359-G362 PolarHBondContact O-N 3.41Å; F360-G362 PolarHBondContact O-N 3.37Å |
| 363 | C | 91.1 | Very high | 91.6 | Very high | 24 Ų | 24 | 15 Ų | 15 | 16% | 0.162 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -95.5 | -16.3 | -179.5 | -66.3 | 0 | 0 | 0 | 0 | 114.8 | L269 V359 F360 Y361 | L269-C363 HydrophobicContact CD2-CB 4.07Å; V359-C363 WeakPolarHBondContact O-CB 3.47Å; V359-C363 PolarHBondContact O-N 2.82Å; V359-C363 PolarHBondContact O-SG 3.49Å; F360-C363 PolarHBondContact O-N 3.41Å; Y361-C363 VanDerWaalsContact C-N 3.31Å; Y361-C363 PolarHBondContact O-N 2.86Å |
| 364 | T | 90.2 | Very high | 91.1 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | H | α-helix | trans | -115.3 | -24 | -174.1 | 58.2 | 0 | 0 | 0 | 0 | 115.4 | V193 V266 P267 L269 L273 F360 | V193-T364 HydrophobicContact CG1-CG2 3.86Å; V266-T364 WeakPolarHBondContact CA-O 3.23Å; V266-T364 WeakPolarHBondContact CG1-O 3.38Å; P267-T364 WeakPolarHBondContact CD-O 3.38Å; L269-T364 HydrophobicContact CB-CG2 4.49Å; L269-T364 HydrophobicContact CD2-CG2 3.79Å; L269-T364 HydrophobicContact CG-CG2 3.66Å; L273-T364 WeakPolarHBondContact CD1-O 3.5Å; F360-T364 WeakPolarHBondContact O-CB 3.38Å; F360-T364 WeakPolarHBondContact O-CG2 3.47Å; F360-T364 PolarHBondContact O-N 3.46Å; F360-T364 PolarHBondContact O-OG1 3.29Å |
| 365 | V | 90.9 | Very high | 90.7 | Very high | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 8% | 0.083 | C | C | . | . | S | Bend | trans | -110.3 | 133.4 | -173 | -169.5 | 0 | 0 | 0 | 0 | 110.2 | V266 N277 Y361 L369 L370 I387 | V266-V365 HydrophobicContact CG2-CG1 4.47Å; N277-V365 PolarHBondContact ND2-O 3.48Å; Y361-V365 HydrophobicContact CD1-CG2 4.43Å; Y361-V365 PolarHBondContact O-N 2.91Å; V365-L369 HydrophobicContact CG1-CB 4Å; V365-L369 HydrophobicContact CG1-CD2 3.92Å; V365-L369 HydrophobicContact CG1-CG 4.09Å; V365-L370 HydrophobicContact CB-CD1 4.28Å; V365-L370 HydrophobicContact CB-CD2 3.74Å; V365-L370 HydrophobicContact CB-CG 3.87Å; V365-L370 HydrophobicContact CG1-CD2 3.75Å; V365-L370 HydrophobicContact CG1-CG 3.74Å; V365-L370 HydrophobicContact CG2-CD2 4.24Å; V365-I387 HydrophobicContact CG2-CD1 3.48Å; V365-I387 VanDerWaalsContact CG2-CD1 3.48Å; V365-I387 HydrophobicContact CG2-CG1 4.43Å |
| 366 | E | 91.1 | Very high | 90.2 | Very high | 31 Ų | 31 | 15.4 Ų | 15.4 | 15% | 0.145 | 8% | 0.08 | C | C | . | . | trans | -64.3 | 138.9 | 172.2 | -82.6 | -73.7 | 179.9 | 0 | 0 | 110.9 | I263 A265 L273 R276 L369 L370 | I263-E366 HydrophobicContact CD1-CB 4.17Å; I263-E366 HydrophobicContact CD1-CG 4.21Å; A265-E366 PolarHBondContact O-N 2.97Å; L273-E366 HydrophobicContact CD2-CB 4.46Å; L273-E366 HydrophobicContact CD2-CG 3.81Å; L273-E366 WeakPolarHBondContact CD2-OE1 2.85Å; L273-E366 WeakPolarHBondContact CD2-OE2 3.36Å; R276-E366 IonicContact NH1-OE1 3.35Å; R276-E366 PolarHBondContact NH1-OE1 3.46Å; E366-L369 PolarHBondContact O-N 3.46Å; E366-L369 VanDerWaalsContact O-N 3.13Å; E366-L370 PolarHBondContact O-N 3.18Å | ||
| 367 | R | 90.4 | Very high | 89.8 | Confident | 35 Ų | 35 | 15 Ų | 15 | 13% | 0.132 | 8% | 0.077 | C | C | . | . | H | α-helix | trans | -48.3 | -45.2 | -178.3 | 166.8 | 160.7 | -78.6 | 177.5 | -5.4 | 114.9 | G45 N277 W279 H281 L369 L370 T371 | G45-R367 PolarHBondContact O-NE 3.23Å; G45-R367 PolarHBondContact O-NH2 3.06Å; N277-R367 WeakPolarHBondContact OD1-CB 3.45Å; W279-R367 VanDerWaalsContact O-CZ 3.24Å; W279-R367 PolarHBondContact O-NH1 3.22Å; W279-R367 PolarHBondContact O-NH2 3.02Å; H281-R367 VanDerWaalsContact CB-NH1 3.29Å; R367-L369 PolarHBondContact O-N 2.94Å; R367-L370 WeakPolarHBondContact O-CA 3.33Å; R367-L370 WeakPolarHBondContact O-CB 3.28Å; R367-L370 PolarHBondContact O-N 2.77Å; R367-T371 HydrophobicContact CG-CG2 4.21Å; R367-T371 PolarHBondContact O-N 2.97Å; R367-T371 PolarHBondContact O-OG1 2.98Å |
| 368 | P | 89.8 | Confident | 89.4 | Confident | 22 Ų | 22 | 15.5 Ų | 15.5 | 14% | 0.143 | 8% | 0.081 | C | C | . | . | H | α-helix | trans | -61.2 | -30.7 | -175.5 | -22.3 | 34.7 | 0 | 0 | 0 | 113.1 | I204 L206 V211 I263 T371 | I204-P368 HydrophobicContact CD1-CB 4.26Å; L206-P368 HydrophobicContact CD2-CB 3.79Å; L206-P368 HydrophobicContact CD2-CG 3.87Å; V211-P368 HydrophobicContact CG2-CB 3.35Å; I263-P368 HydrophobicContact CD1-CG 4.28Å; P368-T371 WeakPolarHBondContact CA-OG1 3.04Å; P368-T371 PolarHBondContact O-OG1 3.12Å |
| 369 | L | 91.4 | Very high | 88.7 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.1 | C | C | . | . | H | α-helix | trans | -77.1 | -34.6 | 173.2 | -177 | 58.8 | 0 | 0 | 0 | 112 | I204 A265 V266 V365 E366 R367 T371 D372 S377 L378 V383 | I204-L369 HydrophobicContact CD1-CB 4.25Å; A265-L369 HydrophobicContact CB-CB 4.17Å; A265-L369 HydrophobicContact CB-CD2 3.56Å; A265-L369 HydrophobicContact CB-CG 4.43Å; V266-L369 HydrophobicContact CG2-CD2 4.19Å; V365-L369 HydrophobicContact CG1-CB 4Å; V365-L369 HydrophobicContact CG1-CD2 3.92Å; V365-L369 HydrophobicContact CG1-CG 4.09Å; E366-L369 PolarHBondContact O-N 3.46Å; E366-L369 VanDerWaalsContact O-N 3.13Å; R367-L369 PolarHBondContact O-N 2.94Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.31Å; L369-D372 WeakPolarHBondContact O-CB 3.43Å; L369-D372 PolarHBondContact O-N 3.2Å; L369-S377 WeakPolarHBondContact CD1-OG 3.26Å; L369-L378 HydrophobicContact CD1-CD1 3.72Å; L369-L378 HydrophobicContact CD1-CD2 4.3Å; L369-L378 HydrophobicContact CD1-CG 3.76Å; L369-L378 HydrophobicContact CD2-CD1 4.24Å; L369-V383 HydrophobicContact CD1-CG2 3.91Å; L369-V383 HydrophobicContact CD2-CG1 4.15Å; L369-V383 HydrophobicContact CG-CG1 3.96Å; L369-V383 HydrophobicContact CG-CG2 4.19Å |
| 370 | L | 91.1 | Very high | 87.8 | Confident | 0 Ų | 0 | 16 Ų | 16 | 0% | 0 | 10% | 0.096 | C | C | . | . | H | α-helix | trans | -64.9 | -35.1 | 174.9 | -67.6 | 173.7 | 0 | 0 | 0 | 112.2 | H41 W42 V44 G45 V365 E366 R367 D372 | H41-L370 HydrophobicContact CB-CD2 3.91Å; W42-L370 VanDerWaalsContact CA-O 3.29Å; W42-L370 WeakPolarHBondContact CA-O 3.3Å; V44-L370 HydrophobicContact CG1-CD1 4.2Å; G45-L370 VanDerWaalsContact CA-CB 3.44Å; V365-L370 HydrophobicContact CB-CD1 4.28Å; V365-L370 HydrophobicContact CB-CD2 3.74Å; V365-L370 HydrophobicContact CB-CG 3.87Å; V365-L370 HydrophobicContact CG1-CD2 3.75Å; V365-L370 HydrophobicContact CG1-CG 3.74Å; V365-L370 HydrophobicContact CG2-CD2 4.24Å; E366-L370 PolarHBondContact O-N 3.18Å; R367-L370 WeakPolarHBondContact O-CA 3.33Å; R367-L370 WeakPolarHBondContact O-CB 3.28Å; R367-L370 PolarHBondContact O-N 2.77Å; L370-D372 PolarHBondContact O-N 2.82Å |
| 371 | T | 89.5 | Confident | 87.4 | Confident | 14 Ų | 14 | 19.8 Ų | 19.8 | 9% | 0.086 | 11% | 0.109 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -74.7 | -10.6 | 176.5 | 49.6 | 0 | 0 | 0 | 0 | 113.7 | M46 Q302 R367 P368 L369 K373 | M46-T371 HydrophobicContact SD-CG2 4.09Å; Q302-T371 PolarHBondContact NE2-O 3.33Å; R367-T371 HydrophobicContact CG-CG2 4.21Å; R367-T371 PolarHBondContact O-N 2.97Å; R367-T371 PolarHBondContact O-OG1 2.98Å; P368-T371 WeakPolarHBondContact CA-OG1 3.04Å; P368-T371 PolarHBondContact O-OG1 3.12Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.31Å; T371-K373 PolarHBondContact O-N 3.12Å |
| 372 | D | 88.2 | Confident | 87.2 | Confident | 1 Ų | 1 | 20 Ų | 20 | 1% | 0.005 | 11% | 0.111 | C | C | . | . | trans | -83.5 | 102.7 | 174.6 | -174.3 | -6.6 | 0 | 0 | 0 | 110.3 | V300 L369 L370 Y374 G375 D376 S377 | V300-D372 HydrophobicContact CG1-CB 4.29Å; L369-D372 WeakPolarHBondContact O-CB 3.43Å; L369-D372 PolarHBondContact O-N 3.2Å; L370-D372 PolarHBondContact O-N 2.82Å; D372-Y374 PolarHBondContact OD1-N 3.35Å; D372-G375 WeakPolarHBondContact OD1-CA 3.25Å; D372-G375 PolarHBondContact OD1-N 3.49Å; D372-G375 VanDerWaalsContact OD2-C 3.27Å; D372-G375 WeakPolarHBondContact OD2-CA 3.24Å; D372-D376 PolarHBondContact OD1-N 2.89Å; D372-D376 VanDerWaalsContact OD1-N 3.12Å; D372-D376 PolarHBondContact OD2-N 3.35Å; D372-S377 VanDerWaalsContact OD2-CB 3.23Å; D372-S377 WeakPolarHBondContact OD2-CB 3.11Å; D372-S377 PolarHBondContact OD2-N 3.28Å; D372-S377 PolarHBondContact OD2-OG 3.25Å | ||
| 373 | K | 86.5 | Confident | 87 | Confident | 6 Ų | 6 | 20 Ų | 20 | 3% | 0.026 | 11% | 0.111 | C | C | . | . | S | Bend | trans | -65.7 | -41.3 | -175.3 | -176.9 | 178.7 | 179.4 | -179.2 | 0 | 113.1 | R39 W42 D303 T371 D463 | R39-K373 VanDerWaalsContact NE-CE 3.28Å; W42-K373 HydrophobicContact CG-CB 4.35Å; W42-K373 HydrophobicContact CG-CG 4.49Å; D303-K373 IonicContact OD1-NZ 3.81Å; D303-K373 PolarHBondContact OD1-NZ 3.33Å; D303-K373 IonicContact OD2-NZ 2.68Å; D303-K373 PolarHBondContact OD2-NZ 2.9Å; T371-K373 PolarHBondContact O-N 3.12Å; K373-D463 WeakPolarHBondContact CE-OD2 3.34Å; K373-D463 IonicContact NZ-OD1 2.63Å; K373-D463 IonicContact NZ-OD2 3.94Å; K373-D463 PolarHBondContact NZ-OD2 3.48Å |
| 374 | Y | 84.8 | Confident | 86.7 | Confident | 33 Ų | 33 | 18.9 Ų | 18.9 | 13% | 0.129 | 10% | 0.103 | C | C | . | . | S | Bend | trans | -100.7 | -14.9 | -174 | -59.9 | -68.2 | 0 | 0 | 0 | 112.9 | E121 Y126 M145 D303 D372 | E121-Y374 WeakPolarHBondContact OE1-CE1 3.33Å; Y126-Y374 WeakPolarHBondContact CE1-O 3.49Å; Y126-Y374 PolarHBondContact OH-O 3.48Å; M145-Y374 HydrophobicContact CE-CE1 4.22Å; M145-Y374 HydrophobicContact CE-CE2 4.37Å; M145-Y374 WeakPolarHBondContact CE-OH 3.27Å; D303-Y374 PolarHBondContact OD2-OH 2.87Å; D372-Y374 PolarHBondContact OD1-N 3.35Å |
| 375 | G | 85.3 | Confident | 86.6 | Confident | 0 Ų | 0 | 19 Ų | 19 | 0% | 0 | 10% | 0.104 | C | C | . | . | trans | 78.8 | 33.1 | -172.9 | 0 | 0 | 0 | 0 | 0 | 112 | D372 S377 L378 G379 G380 | D372-G375 WeakPolarHBondContact OD1-CA 3.25Å; D372-G375 PolarHBondContact OD1-N 3.49Å; D372-G375 VanDerWaalsContact OD2-C 3.27Å; D372-G375 WeakPolarHBondContact OD2-CA 3.24Å; G375-S377 PolarHBondContact O-N 3.32Å; G375-L378 PolarHBondContact O-N 2.92Å; G375-G379 PolarHBondContact O-N 3.45Å; G375-G380 PolarHBondContact O-N 3.42Å; G375-G380 VanDerWaalsContact O-N 3.14Å | ||
| 376 | D | 84.5 | Confident | 86.5 | Confident | 49 Ų | 49 | 21.5 Ų | 21.5 | 26% | 0.262 | 12% | 0.115 | S | C | . | . | G | 310 helix | trans | -62.6 | -32.4 | 178.9 | -77.4 | -10.6 | 0 | 0 | 0 | 111.6 | K213 Y214 V300 D372 L378 G379 | K213-D376 HydrophobicContact CD-CB 4.41Å; K213-D376 VanDerWaalsContact CE-OD2 3.3Å; K213-D376 WeakPolarHBondContact CE-OD2 3.37Å; K213-D376 HydrophobicContact CG-CB 4.03Å; K213-D376 IonicContact NZ-OD2 3.27Å; Y214-D376 VanDerWaalsContact CB-O 3.28Å; Y214-D376 WeakPolarHBondContact CB-O 3.35Å; Y214-D376 PolarHBondContact N-O 3.15Å; V300-D376 HydrophobicContact CG2-CB 4.29Å; D372-D376 PolarHBondContact OD1-N 2.89Å; D372-D376 VanDerWaalsContact OD1-N 3.12Å; D372-D376 PolarHBondContact OD2-N 3.35Å; D376-L378 PolarHBondContact O-N 2.99Å; D376-G379 PolarHBondContact O-N 3.39Å |
| 377 | S | 85.6 | Confident | 86.3 | Confident | 5 Ų | 5 | 20.2 Ų | 20.2 | 4% | 0.035 | 11% | 0.109 | C | C | . | . | G | 310 helix | trans | -67.6 | -21 | 173.7 | 61.8 | 0 | 0 | 0 | 0 | 113.5 | L369 D372 G375 | L369-S377 WeakPolarHBondContact CD1-OG 3.26Å; D372-S377 VanDerWaalsContact OD2-CB 3.23Å; D372-S377 WeakPolarHBondContact OD2-CB 3.11Å; D372-S377 PolarHBondContact OD2-N 3.28Å; D372-S377 PolarHBondContact OD2-OG 3.25Å; G375-S377 PolarHBondContact O-N 3.32Å |
| 378 | L | 85 | Confident | 86.3 | Confident | 14 Ų | 14 | 19 Ų | 19 | 7% | 0.073 | 11% | 0.106 | C | C | . | . | G | 310 helix | trans | -99.5 | 5.5 | 178.6 | -65.3 | 177.1 | 0 | 0 | 0 | 113.5 | P202 I204 L369 G375 D376 R381 V383 K386 | P202-L378 HydrophobicContact CB-CD2 3.67Å; P202-L378 HydrophobicContact CG-CD2 4.09Å; I204-L378 HydrophobicContact CG2-CD2 4.09Å; L369-L378 HydrophobicContact CD1-CD1 3.72Å; L369-L378 HydrophobicContact CD1-CD2 4.3Å; L369-L378 HydrophobicContact CD1-CG 3.76Å; L369-L378 HydrophobicContact CD2-CD1 4.24Å; G375-L378 PolarHBondContact O-N 2.92Å; D376-L378 PolarHBondContact O-N 2.99Å; L378-R381 HydrophobicContact CB-CB 4.11Å; L378-V383 HydrophobicContact CD1-CG2 4.34Å; L378-K386 HydrophobicContact CD1-CG 3.9Å |
| 379 | G | 77.3 | Confident | 86.2 | Confident | 39 Ų | 39 | 24.3 Ų | 24.3 | 40% | 0.402 | 12% | 0.123 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 76.1 | 38.4 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.6 | G375 D376 | G375-G379 PolarHBondContact O-N 3.45Å; D376-G379 PolarHBondContact O-N 3.39Å |
| 380 | G | 74.9 | Confident | 86 | Confident | 24 Ų | 24 | 28.2 Ų | 28.2 | 25% | 0.247 | 15% | 0.148 | C | C | . | . | S | Bend | trans | 76.9 | 42.5 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112 | Y126 G375 | Y126-G380 WeakPolarHBondContact CD1-O 3.48Å; G375-G380 PolarHBondContact O-N 3.42Å; G375-G380 VanDerWaalsContact O-N 3.14Å |
| 381 | R | 85.3 | Confident | 85.9 | Confident | 117 Ų | 117 | 31.6 Ų | 31.6 | 44% | 0.442 | 17% | 0.169 | S | C | . | . | trans | -121.7 | 139 | 176.6 | -64.3 | -176.6 | 173.5 | 156.4 | -8 | 110.2 | L378 V383 K386 E392 | L378-R381 HydrophobicContact CB-CB 4.11Å; R381-V383 PolarHBondContact O-N 3.29Å; R381-K386 VanDerWaalsContact CD-NZ 3.32Å; R381-E392 IonicContact NE-OE1 2.86Å; R381-E392 IonicContact NE-OE2 3.99Å | ||
| 382 | L | 86.7 | Confident | 85.8 | Confident | 6 Ų | 6 | 33.3 Ų | 33.3 | 3% | 0.031 | 18% | 0.176 | C | C | . | . | trans | -65.4 | 125.6 | -178.1 | -172.6 | 72.8 | 0 | 0 | 0 | 110.2 | Y126 S384 G385 K386 M395 V399 | Y126-L382 HydrophobicContact CD1-CB 4.13Å; Y126-L382 HydrophobicContact CD2-CB 4.39Å; Y126-L382 HydrophobicContact CD2-CD1 4.25Å; Y126-L382 HydrophobicContact CE1-CB 4.03Å; Y126-L382 HydrophobicContact CE1-CD1 4.36Å; Y126-L382 VanDerWaalsContact CE1-N 3.34Å; Y126-L382 HydrophobicContact CE2-CB 4.3Å; Y126-L382 HydrophobicContact CE2-CD1 3.54Å; Y126-L382 HydrophobicContact CE2-CG 4.48Å; Y126-L382 HydrophobicContact CG-CB 4.32Å; L382-S384 VanDerWaalsContact C-N 3.28Å; L382-S384 VanDerWaalsContact CD2-OG 3.23Å; L382-S384 WeakPolarHBondContact CD2-OG 3.34Å; L382-S384 WeakPolarHBondContact CG-OG 3.49Å; L382-S384 PolarHBondContact O-N 2.84Å; L382-G385 WeakPolarHBondContact O-CA 3.14Å; L382-G385 PolarHBondContact O-N 3.46Å; L382-K386 PolarHBondContact O-N 3.17Å; L382-K386 VanDerWaalsContact O-N 3.07Å; L382-M395 HydrophobicContact CD2-CG 3.69Å; L382-V399 HydrophobicContact CD2-CG2 4.33Å | ||
| 383 | V | 86.9 | Confident | 85.8 | Confident | 1 Ų | 1 | 39.9 Ų | 39.9 | 1% | 0.006 | 20% | 0.201 | C | C | . | . | H | α-helix | trans | -53.6 | -47 | 179.9 | 176.7 | 0 | 0 | 0 | 0 | 111.1 | L369 L378 R381 G385 K386 | L369-V383 HydrophobicContact CD1-CG2 3.91Å; L369-V383 HydrophobicContact CD2-CG1 4.15Å; L369-V383 HydrophobicContact CG-CG1 3.96Å; L369-V383 HydrophobicContact CG-CG2 4.19Å; L378-V383 HydrophobicContact CD1-CG2 4.34Å; R381-V383 PolarHBondContact O-N 3.29Å; V383-G385 VanDerWaalsContact C-N 3.28Å; V383-G385 PolarHBondContact O-N 3.38Å; V383-K386 PolarHBondContact O-N 3.17Å |
| 384 | S | 86.4 | Confident | 86 | Confident | 0 Ų | 0 | 41.3 Ų | 41.3 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -70.7 | -23.3 | 177.8 | 62.9 | 0 | 0 | 0 | 0 | 113.2 | F37 Y361 L382 A388 M395 | F37-S384 PolarHBondContact O-OG 3.29Å; Y361-S384 WeakPolarHBondContact OH-CB 3.38Å; L382-S384 VanDerWaalsContact C-N 3.28Å; L382-S384 VanDerWaalsContact CD2-OG 3.23Å; L382-S384 WeakPolarHBondContact CD2-OG 3.34Å; L382-S384 WeakPolarHBondContact CG-OG 3.49Å; L382-S384 PolarHBondContact O-N 2.84Å; S384-A388 PolarHBondContact O-N 3.16Å; S384-M395 VanDerWaalsContact CB-CE 3.49Å; S384-M395 WeakPolarHBondContact OG-CE 3.08Å |
| 385 | G | 87.2 | Confident | 86.2 | Confident | 1 Ų | 1 | 39.8 Ų | 39.8 | 1% | 0.01 | 21% | 0.205 | C | C | . | . | H | α-helix | trans | -70.9 | -34.6 | 172.4 | 0 | 0 | 0 | 0 | 0 | 113 | L382 V383 I387 A388 E392 | L382-G385 WeakPolarHBondContact O-CA 3.14Å; L382-G385 PolarHBondContact O-N 3.46Å; V383-G385 VanDerWaalsContact C-N 3.28Å; V383-G385 PolarHBondContact O-N 3.38Å; G385-I387 VanDerWaalsContact C-N 3.28Å; G385-I387 PolarHBondContact O-N 2.95Å; G385-A388 PolarHBondContact O-N 3.21Å; G385-E392 VanDerWaalsContact O-CA 3.29Å; G385-E392 WeakPolarHBondContact O-CA 3.48Å; G385-E392 WeakPolarHBondContact O-CB 3.17Å |
| 386 | K | 88.1 | Confident | 86.5 | Confident | 53 Ų | 53 | 40.2 Ų | 40.2 | 23% | 0.23 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.1 | -25.4 | 175.2 | -77.2 | -51.6 | -163.1 | -165.9 | 0 | 114.1 | P202 L378 R381 L382 V383 E392 | P202-K386 HydrophobicContact CG-CB 4.4Å; L378-K386 HydrophobicContact CD1-CG 3.9Å; R381-K386 VanDerWaalsContact CD-NZ 3.32Å; L382-K386 PolarHBondContact O-N 3.17Å; L382-K386 VanDerWaalsContact O-N 3.07Å; V383-K386 PolarHBondContact O-N 3.17Å; K386-E392 WeakPolarHBondContact CE-OE2 3.44Å; K386-E392 IonicContact NZ-OE2 3.39Å; K386-E392 PolarHBondContact NZ-OE2 2.73Å |
| 387 | I | 88.1 | Confident | 86.7 | Confident | 4 Ų | 4 | 40.6 Ų | 40.6 | 2% | 0.021 | 22% | 0.217 | C | C | . | . | H | α-helix | trans | -79.7 | -30.4 | 174.7 | -59.6 | 165.6 | 0 | 0 | 0 | 110.3 | V189 G192 V193 V266 Y361 V365 G385 W389 | V189-I387 HydrophobicContact CG1-CG2 4.46Å; G192-I387 CarbonylContact C-O 3.51Å; G192-I387 WeakPolarHBondContact CA-O 3.47Å; V193-I387 HydrophobicContact CG2-CG2 3.75Å; V266-I387 HydrophobicContact CG1-CG1 4.39Å; V266-I387 HydrophobicContact CG2-CG1 4.49Å; Y361-I387 HydrophobicContact CD1-CD1 3.88Å; Y361-I387 HydrophobicContact CE1-CD1 3.81Å; V365-I387 HydrophobicContact CG2-CD1 3.48Å; V365-I387 VanDerWaalsContact CG2-CD1 3.48Å; V365-I387 HydrophobicContact CG2-CG1 4.43Å; G385-I387 VanDerWaalsContact C-N 3.28Å; G385-I387 PolarHBondContact O-N 2.95Å; I387-W389 PolarHBondContact O-N 3.39Å |
| 388 | A | 89 | Confident | 86.9 | Confident | 9 Ų | 9 | 40.4 Ų | 40.4 | 7% | 0.074 | 22% | 0.216 | C | C | . | . | S | Bend | trans | -68 | 129.9 | -173 | 0 | 0 | 0 | 0 | 0 | 113.5 | V189 S384 G385 M395 | V189-A388 HydrophobicContact CG2-CB 4.37Å; S384-A388 PolarHBondContact O-N 3.16Å; G385-A388 PolarHBondContact O-N 3.21Å; A388-M395 HydrophobicContact CB-CB 4.06Å |
| 389 | W | 89 | Confident | 87.2 | Confident | 135 Ų | 135 | 39.7 Ų | 39.7 | 51% | 0.511 | 21% | 0.212 | S | C | . | . | S | Bend | trans | -106 | 136.9 | 172.3 | -176.4 | 93.2 | 0 | 0 | 0 | 110.3 | S188 I191 I387 | S188-W389 WeakPolarHBondContact CA-O 3.3Å; S188-W389 WeakPolarHBondContact CB-O 3.49Å; S188-W389 PolarHBondContact O-N 3Å; I191-W389 HydrophobicContact CB-CE3 4.48Å; I191-W389 HydrophobicContact CG2-CB 4.28Å; I191-W389 HydrophobicContact CG2-CD2 4.04Å; I191-W389 HydrophobicContact CG2-CE3 3.64Å; I191-W389 HydrophobicContact CG2-CG 4.33Å; I191-W389 HydrophobicContact CG2-CZ3 4.32Å; I387-W389 PolarHBondContact O-N 3.39Å |
| 390 | P | 86.6 | Confident | 87.9 | Confident | 81 Ų | 81 | 39.5 Ų | 39.5 | 53% | 0.526 | 20% | 0.202 | S | C | . | . | S | Bend | cis | -91.4 | -18.8 | 13 | 33.5 | -36 | 0 | 0 | 0 | 115.7 | ||
| 391 | T | 89.1 | Confident | 88.6 | Confident | 71 Ų | 71 | 39.6 Ų | 39.6 | 44% | 0.436 | 20% | 0.2 | S | C | . | . | trans | -144 | 144.9 | -175.2 | 62.1 | 0 | 0 | 0 | 0 | 111.2 | W393 T394 | T391-W393 PolarHBondContact O-N 2.89Å; T391-W393 VanDerWaalsContact O-N 3.1Å; T391-T394 PolarHBondContact O-N 2.94Å; T391-T394 VanDerWaalsContact O-N 3.09Å; T391-T394 PolarHBondContact O-OG1 2.84Å | ||
| 392 | E | 86.6 | Confident | 88.8 | Confident | 51 Ų | 51 | 34 Ų | 34 | 24% | 0.238 | 18% | 0.179 | C | C | . | . | H | α-helix | trans | -55.9 | -30.6 | 177 | 62.8 | -167.3 | 175 | 0 | 0 | 114.1 | R381 G385 K386 T394 M395 V396 | R381-E392 IonicContact NE-OE1 2.86Å; R381-E392 IonicContact NE-OE2 3.99Å; G385-E392 VanDerWaalsContact O-CA 3.29Å; G385-E392 WeakPolarHBondContact O-CA 3.48Å; G385-E392 WeakPolarHBondContact O-CB 3.17Å; K386-E392 WeakPolarHBondContact CE-OE2 3.44Å; K386-E392 IonicContact NZ-OE2 3.39Å; K386-E392 PolarHBondContact NZ-OE2 2.73Å; E392-T394 VanDerWaalsContact C-N 3.3Å; E392-T394 PolarHBondContact O-N 2.9Å; E392-M395 WeakPolarHBondContact O-CB 3.48Å; E392-M395 PolarHBondContact O-N 3.42Å; E392-V396 PolarHBondContact O-N 3.35Å |
| 393 | W | 89.3 | Confident | 89 | Confident | 138 Ų | 138 | 33.8 Ų | 33.8 | 52% | 0.523 | 18% | 0.178 | S | C | . | . | H | α-helix | trans | -65.7 | -25.7 | 179.2 | -69 | 102.4 | 0 | 0 | 0 | 114.3 | V127 T391 M395 V396 A397 | V127-W393 HydrophobicContact CG1-CZ3 4.37Å; V127-W393 HydrophobicContact CG2-CZ3 4.17Å; T391-W393 PolarHBondContact O-N 2.89Å; T391-W393 VanDerWaalsContact O-N 3.1Å; W393-M395 PolarHBondContact O-N 3.32Å; W393-V396 HydrophobicContact CE3-CB 4.42Å; W393-V396 HydrophobicContact CE3-CG1 4.45Å; W393-V396 HydrophobicContact CZ3-CG1 4.49Å; W393-V396 PolarHBondContact O-N 3.2Å; W393-A397 VanDerWaalsContact O-CB 3.26Å; W393-A397 WeakPolarHBondContact O-CB 3.47Å; W393-A397 PolarHBondContact O-N 2.95Å |
| 394 | T | 89.9 | Confident | 89.1 | Confident | 37 Ų | 37 | 35.8 Ų | 35.8 | 23% | 0.227 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.7 | -32.7 | 175.9 | 54.6 | 0 | 0 | 0 | 0 | 111.2 | S185 T391 E392 G398 | S185-T394 PolarHBondContact OG-O 3.01Å; T391-T394 PolarHBondContact O-N 2.94Å; T391-T394 VanDerWaalsContact O-N 3.09Å; T391-T394 PolarHBondContact O-OG1 2.84Å; E392-T394 VanDerWaalsContact C-N 3.3Å; E392-T394 PolarHBondContact O-N 2.9Å; T394-G398 PolarHBondContact O-N 2.74Å |
| 395 | M | 89.9 | Confident | 89.2 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -71.5 | -53.8 | 174.7 | -172.7 | 58.5 | 147.6 | 0 | 0 | 110.3 | F37 V189 L382 S384 A388 E392 W393 A397 G398 V399 | F37-M395 HydrophobicContact CB-CE 4.37Å; F37-M395 HydrophobicContact CD1-CE 3.25Å; F37-M395 HydrophobicContact CD1-SD 3.79Å; F37-M395 HydrophobicContact CE1-CE 3.77Å; F37-M395 HydrophobicContact CE1-SD 3.86Å; F37-M395 HydrophobicContact CG-CE 4.2Å; V189-M395 HydrophobicContact CG2-CE 3.66Å; V189-M395 HydrophobicContact CG2-SD 4.12Å; L382-M395 HydrophobicContact CD2-CG 3.69Å; S384-M395 VanDerWaalsContact CB-CE 3.49Å; S384-M395 WeakPolarHBondContact OG-CE 3.08Å; A388-M395 HydrophobicContact CB-CB 4.06Å; E392-M395 WeakPolarHBondContact O-CB 3.48Å; E392-M395 PolarHBondContact O-N 3.42Å; W393-M395 PolarHBondContact O-N 3.32Å; M395-A397 VanDerWaalsContact C-N 3.32Å; M395-A397 PolarHBondContact O-N 3.38Å; M395-G398 WeakPolarHBondContact O-CA 3.39Å; M395-G398 PolarHBondContact O-N 2.86Å; M395-V399 HydrophobicContact CG-CG2 4.35Å; M395-V399 WeakPolarHBondContact O-CG2 3.03Å; M395-V399 PolarHBondContact O-N 3.09Å; M395-V399 HydrophobicContact SD-CG2 4.37Å |
| 396 | V | 90.5 | Very high | 89.3 | Confident | 10 Ų | 10 | 35.9 Ų | 35.9 | 6% | 0.061 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -55.8 | -45.5 | -178.1 | 179 | 0 | 0 | 0 | 0 | 111.8 | V122 V127 E392 W393 G398 V399 L400 | V122-V396 HydrophobicContact CG1-CG1 4.14Å; V127-V396 HydrophobicContact CG2-CG1 3.5Å; E392-V396 PolarHBondContact O-N 3.35Å; W393-V396 HydrophobicContact CE3-CB 4.42Å; W393-V396 HydrophobicContact CE3-CG1 4.45Å; W393-V396 HydrophobicContact CZ3-CG1 4.49Å; W393-V396 PolarHBondContact O-N 3.2Å; V396-G398 VanDerWaalsContact C-N 3.33Å; V396-G398 PolarHBondContact O-N 2.76Å; V396-V399 PolarHBondContact O-N 3.44Å; V396-L400 HydrophobicContact CG1-CD1 4.21Å; V396-L400 WeakPolarHBondContact O-CG 3.3Å; V396-L400 PolarHBondContact O-N 2.92Å |
| 397 | A | 90.3 | Very high | 89.4 | Confident | 56 Ų | 56 | 33.4 Ų | 33.4 | 46% | 0.463 | 18% | 0.177 | S | C | . | . | H | α-helix | trans | -61.9 | -39.6 | 176.7 | 0 | 0 | 0 | 0 | 0 | 112.4 | W393 M395 A401 | W393-A397 VanDerWaalsContact O-CB 3.26Å; W393-A397 WeakPolarHBondContact O-CB 3.47Å; W393-A397 PolarHBondContact O-N 2.95Å; M395-A397 VanDerWaalsContact C-N 3.32Å; M395-A397 PolarHBondContact O-N 3.38Å; A397-A401 VanDerWaalsContact O-CB 3.28Å; A397-A401 WeakPolarHBondContact O-CB 3.49Å; A397-A401 PolarHBondContact O-N 3.34Å |
| 398 | G | 89.9 | Confident | 89.5 | Confident | 1 Ų | 1 | 33.3 Ų | 33.3 | 1% | 0.01 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -68.1 | -41.2 | 176.5 | 0 | 0 | 0 | 0 | 0 | 113.6 | S185 T394 M395 V396 A401 S402 | S185-G398 VanDerWaalsContact OG-CA 3.31Å; S185-G398 WeakPolarHBondContact OG-CA 3.42Å; T394-G398 PolarHBondContact O-N 2.74Å; M395-G398 WeakPolarHBondContact O-CA 3.39Å; M395-G398 PolarHBondContact O-N 2.86Å; V396-G398 VanDerWaalsContact C-N 3.33Å; V396-G398 PolarHBondContact O-N 2.76Å; G398-A401 PolarHBondContact O-N 3.24Å; G398-S402 VanDerWaalsContact O-CB 3.27Å; G398-S402 WeakPolarHBondContact O-CB 3.36Å; G398-S402 PolarHBondContact O-N 3.14Å |
| 399 | V | 90.2 | Very high | 89.4 | Confident | 0 Ų | 0 | 33.1 Ų | 33.1 | 0% | 0 | 17% | 0.174 | C | C | . | . | H | α-helix | trans | -62.5 | -47.6 | 175.2 | -173 | 0 | 0 | 0 | 0 | 110.1 | F37 I38 V122 L382 M395 V396 A401 S402 T403 | F37-V399 HydrophobicContact CB-CB 4.41Å; F37-V399 HydrophobicContact CB-CG1 4.1Å; F37-V399 HydrophobicContact CB-CG2 3.43Å; F37-V399 VanDerWaalsContact CB-CG2 3.43Å; F37-V399 HydrophobicContact CD1-CG2 4.26Å; F37-V399 HydrophobicContact CD2-CB 4.39Å; F37-V399 HydrophobicContact CD2-CG1 4.32Å; F37-V399 HydrophobicContact CD2-CG2 3.83Å; F37-V399 HydrophobicContact CG-CG2 3.61Å; I38-V399 HydrophobicContact CD1-CG1 4.26Å; I38-V399 HydrophobicContact CG1-CG1 4.15Å; V122-V399 HydrophobicContact CG1-CG1 4.49Å; V122-V399 HydrophobicContact CG2-CG1 3.76Å; L382-V399 HydrophobicContact CD2-CG2 4.33Å; M395-V399 HydrophobicContact CG-CG2 4.35Å; M395-V399 WeakPolarHBondContact O-CG2 3.03Å; M395-V399 PolarHBondContact O-N 3.09Å; M395-V399 HydrophobicContact SD-CG2 4.37Å; V396-V399 PolarHBondContact O-N 3.44Å; V399-A401 PolarHBondContact O-N 3.05Å; V399-S402 PolarHBondContact O-N 3.11Å; V399-T403 HydrophobicContact CG1-CG2 4.02Å; V399-T403 WeakPolarHBondContact O-CB 3.48Å; V399-T403 WeakPolarHBondContact O-CG2 3.17Å; V399-T403 PolarHBondContact O-N 2.84Å; V399-T403 PolarHBondContact O-OG1 3.03Å |
| 400 | L | 91.7 | Very high | 89.4 | Confident | 35 Ų | 35 | 26.7 Ų | 26.7 | 18% | 0.183 | 15% | 0.15 | C | C | . | . | H | α-helix | trans | -60.2 | -46.3 | 177.6 | -73 | 174.1 | 0 | 0 | 0 | 112.1 | N119 V122 L123 V127 V396 S402 T403 F404 | N119-L400 PolarHBondContact ND2-O 3.15Å; V122-L400 HydrophobicContact CB-CD2 3.92Å; V122-L400 HydrophobicContact CG1-CD2 3.72Å; V122-L400 HydrophobicContact CG1-CG 3.8Å; L123-L400 HydrophobicContact CB-CD2 4.25Å; V127-L400 HydrophobicContact CG2-CD1 3.87Å; V396-L400 HydrophobicContact CG1-CD1 4.21Å; V396-L400 WeakPolarHBondContact O-CG 3.3Å; V396-L400 PolarHBondContact O-N 2.92Å; L400-S402 VanDerWaalsContact C-N 3.35Å; L400-S402 PolarHBondContact O-N 3.2Å; L400-T403 PolarHBondContact O-OG1 2.73Å; L400-F404 WeakPolarHBondContact O-CB 3.21Å; L400-F404 PolarHBondContact O-N 3.4Å |
| 401 | A | 90 | Very high | 89.6 | Confident | 26 Ų | 26 | 22.8 Ų | 22.8 | 22% | 0.215 | 13% | 0.125 | C | C | . | . | H | α-helix | trans | -63.4 | -40.4 | 177.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | S178 C181 A397 G398 V399 G405 | S178-A401 WeakPolarHBondContact CB-O 3.23Å; C181-A401 HydrophobicContact CB-CB 3.87Å; A397-A401 VanDerWaalsContact O-CB 3.28Å; A397-A401 WeakPolarHBondContact O-CB 3.49Å; A397-A401 PolarHBondContact O-N 3.34Å; G398-A401 PolarHBondContact O-N 3.24Å; V399-A401 PolarHBondContact O-N 3.05Å; A401-G405 PolarHBondContact O-N 3.23Å |
| 402 | S | 89.3 | Confident | 89.5 | Confident | 0 Ų | 0 | 19.8 Ų | 19.8 | 0% | 0 | 11% | 0.105 | C | C | . | . | H | α-helix | trans | -67.1 | -50.6 | -179.3 | -161.1 | 0 | 0 | 0 | 0 | 112.2 | F32 V182 G398 V399 L400 F404 G405 A406 | F32-S402 PolarHBondContact O-OG 2.94Å; V182-S402 VanDerWaalsContact CG2-OG 3.23Å; V182-S402 WeakPolarHBondContact CG2-OG 3.35Å; G398-S402 VanDerWaalsContact O-CB 3.27Å; G398-S402 WeakPolarHBondContact O-CB 3.36Å; G398-S402 PolarHBondContact O-N 3.14Å; V399-S402 PolarHBondContact O-N 3.11Å; L400-S402 VanDerWaalsContact C-N 3.35Å; L400-S402 PolarHBondContact O-N 3.2Å; S402-F404 VanDerWaalsContact C-N 3.32Å; S402-F404 PolarHBondContact O-N 3.24Å; S402-G405 PolarHBondContact O-N 3.24Å; S402-A406 WeakPolarHBondContact O-CB 3.4Å; S402-A406 PolarHBondContact O-N 3.3Å |
| 403 | T | 90.4 | Very high | 89.5 | Confident | 0 Ų | 0 | 17.4 Ų | 17.4 | 0% | 0 | 10% | 0.095 | C | C | . | . | H | α-helix | trans | -65.4 | -39.3 | -177.6 | 54.2 | 0 | 0 | 0 | 0 | 110.9 | V34 N119 V399 L400 G407 | V34-T403 HydrophobicContact CB-CG2 3.91Å; V34-T403 HydrophobicContact CG1-CG2 4.47Å; V34-T403 HydrophobicContact CG2-CG2 3.22Å; N119-T403 WeakPolarHBondContact CB-OG1 3.46Å; N119-T403 PolarHBondContact ND2-OG1 2.97Å; V399-T403 HydrophobicContact CG1-CG2 4.02Å; V399-T403 WeakPolarHBondContact O-CB 3.48Å; V399-T403 WeakPolarHBondContact O-CG2 3.17Å; V399-T403 PolarHBondContact O-N 2.84Å; V399-T403 PolarHBondContact O-OG1 3.03Å; L400-T403 PolarHBondContact O-OG1 2.73Å; T403-G407 PolarHBondContact O-N 2.66Å |
| 404 | F | 90.7 | Very high | 89.5 | Confident | 43 Ų | 43 | 10.9 Ų | 10.9 | 19% | 0.189 | 7% | 0.07 | C | C | . | . | H | α-helix | trans | -63.4 | -46.3 | 172 | -175.9 | -99.9 | 0 | 0 | 0 | 112.2 | L156 F159 M160 L400 S402 G407 L408 | L156-F404 HydrophobicContact CD1-CD2 4.24Å; L156-F404 HydrophobicContact CD1-CE2 4.17Å; F159-F404 AromaticContact CD1-CE2 3.99Å; F159-F404 HydrophobicContact CD1-CE2 3.99Å; F159-F404 HydrophobicContact CD1-CZ 4.21Å; F159-F404 AromaticContact CE1-CE2 3.93Å; F159-F404 HydrophobicContact CE1-CE2 3.93Å; F159-F404 AromaticContact CE1-CZ 3.77Å; F159-F404 HydrophobicContact CE1-CZ 3.77Å; M160-F404 HydrophobicContact CE-CB 4.27Å; M160-F404 HydrophobicContact CE-CD2 3.27Å; M160-F404 HydrophobicContact CE-CE2 3.75Å; M160-F404 HydrophobicContact CE-CG 3.98Å; M160-F404 HydrophobicContact CG-CD2 4.37Å; M160-F404 HydrophobicContact CG-CE2 3.86Å; L400-F404 WeakPolarHBondContact O-CB 3.21Å; L400-F404 PolarHBondContact O-N 3.4Å; S402-F404 VanDerWaalsContact C-N 3.32Å; S402-F404 PolarHBondContact O-N 3.24Å; F404-G407 PolarHBondContact O-N 3.18Å; F404-L408 HydrophobicContact CD1-CD1 3.82Å; F404-L408 HydrophobicContact CD1-CG 4.49Å; F404-L408 HydrophobicContact CE1-CD1 3.25Å; F404-L408 HydrophobicContact CE1-CG 4.12Å; F404-L408 HydrophobicContact CE2-CD1 4.49Å; F404-L408 HydrophobicContact CZ-CD1 3.63Å; F404-L408 HydrophobicContact CZ-CG 4.15Å; F404-L408 WeakPolarHBondContact O-CG 3.37Å; F404-L408 PolarHBondContact O-N 3.05Å |
| 405 | G | 88.5 | Confident | 89.4 | Confident | 4 Ų | 4 | 9.2 Ų | 9.2 | 4% | 0.041 | 6% | 0.06 | C | C | . | . | H | α-helix | trans | -63.5 | -44.6 | 178.5 | 0 | 0 | 0 | 0 | 0 | 113.5 | A401 S402 L408 Q409 | A401-G405 PolarHBondContact O-N 3.23Å; S402-G405 PolarHBondContact O-N 3.24Å; G405-L408 PolarHBondContact O-N 3.35Å; G405-Q409 WeakPolarHBondContact O-CB 3.31Å; G405-Q409 PolarHBondContact O-N 3.29Å |
| 406 | A | 88.8 | Confident | 89 | Confident | 0 Ų | 0 | 13.5 Ų | 13.5 | 0% | 0 | 8% | 0.076 | C | C | . | . | H | α-helix | trans | -67.7 | -38 | 176.9 | 0 | 0 | 0 | 0 | 0 | 112 | Y115 S402 Q409 S410 | Y115-A406 HydrophobicContact CD1-CB 3.96Å; Y115-A406 HydrophobicContact CD2-CB 3.97Å; Y115-A406 HydrophobicContact CE1-CB 3.92Å; Y115-A406 HydrophobicContact CE2-CB 3.93Å; Y115-A406 HydrophobicContact CG-CB 3.99Å; S402-A406 WeakPolarHBondContact O-CB 3.4Å; S402-A406 PolarHBondContact O-N 3.3Å; A406-Q409 PolarHBondContact O-N 3.17Å; A406-S410 WeakPolarHBondContact O-CB 3.3Å; A406-S410 PolarHBondContact O-N 3.32Å; A406-S410 PolarHBondContact O-OG 2.95Å |
| 407 | G | 90.6 | Very high | 88.9 | Confident | 0 Ų | 0 | 13.2 Ų | 13.2 | 0% | 0 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -60.3 | -49 | 171.9 | 0 | 0 | 0 | 0 | 0 | 112.5 | T403 F404 Q409 S410 L411 | T403-G407 PolarHBondContact O-N 2.66Å; F404-G407 PolarHBondContact O-N 3.18Å; G407-Q409 PolarHBondContact O-N 3.41Å; G407-S410 PolarHBondContact O-OG 3.31Å; G407-L411 WeakPolarHBondContact O-CB 3.4Å; G407-L411 PolarHBondContact O-N 3.26Å; G407-L411 VanDerWaalsContact O-N 3.1Å |
| 408 | L | 89.2 | Confident | 88.8 | Confident | 3 Ų | 3 | 10.6 Ų | 10.6 | 2% | 0.016 | 5% | 0.053 | C | C | . | . | H | α-helix | trans | -61.2 | -44.3 | 175.6 | -77.5 | 176.9 | 0 | 0 | 0 | 112.5 | M160 V163 V164 T171 F404 G405 F412 | M160-L408 HydrophobicContact CB-CD2 3.74Å; M160-L408 HydrophobicContact CG-CD2 3.78Å; M160-L408 HydrophobicContact CG-CG 4.18Å; M160-L408 HydrophobicContact SD-CD2 4.47Å; M160-L408 HydrophobicContact SD-CG 4.43Å; V163-L408 HydrophobicContact CB-CD2 4.15Å; V163-L408 HydrophobicContact CG1-CD1 4.36Å; V163-L408 HydrophobicContact CG1-CD2 4.08Å; V164-L408 HydrophobicContact CG2-CD2 3.85Å; T171-L408 HydrophobicContact CG2-CB 4.17Å; F404-L408 HydrophobicContact CD1-CD1 3.82Å; F404-L408 HydrophobicContact CD1-CG 4.49Å; F404-L408 HydrophobicContact CE1-CD1 3.25Å; F404-L408 HydrophobicContact CE1-CG 4.12Å; F404-L408 HydrophobicContact CE2-CD1 4.49Å; F404-L408 HydrophobicContact CZ-CD1 3.63Å; F404-L408 HydrophobicContact CZ-CG 4.15Å; F404-L408 WeakPolarHBondContact O-CG 3.37Å; F404-L408 PolarHBondContact O-N 3.05Å; G405-L408 PolarHBondContact O-N 3.35Å; L408-F412 VanDerWaalsContact O-CB 3.26Å; L408-F412 WeakPolarHBondContact O-CB 3.28Å; L408-F412 PolarHBondContact O-N 3.42Å; L408-F412 VanDerWaalsContact O-N 3.08Å |
| 409 | Q | 86.8 | Confident | 88.7 | Confident | 4 Ų | 4 | 12 Ų | 12 | 2% | 0.019 | 6% | 0.059 | C | C | . | . | H | α-helix | trans | -66 | -46 | -178.7 | -176.6 | 64.2 | 10 | 0 | 0 | 111.4 | T324 G405 A406 G407 F412 C413 | T324-Q409 HydrophobicContact CG2-CG 4.12Å; G405-Q409 WeakPolarHBondContact O-CB 3.31Å; G405-Q409 PolarHBondContact O-N 3.29Å; A406-Q409 PolarHBondContact O-N 3.17Å; G407-Q409 PolarHBondContact O-N 3.41Å; Q409-F412 PolarHBondContact O-N 3.1Å; Q409-C413 PolarHBondContact NE2-SG 3.48Å; Q409-C413 VanDerWaalsContact NE2-SG 3.43Å; Q409-C413 VanDerWaalsContact O-CB 3.31Å; Q409-C413 WeakPolarHBondContact O-CB 3.31Å; Q409-C413 PolarHBondContact O-N 3.33Å; Q409-C413 PolarHBondContact O-SG 3.2Å |
| 410 | S | 89.3 | Confident | 88.4 | Confident | 0 Ų | 0 | 12.3 Ų | 12.3 | 0% | 0 | 6% | 0.061 | C | C | . | . | H | α-helix | trans | -63.5 | -42.2 | 179.2 | 52.8 | 0 | 0 | 0 | 0 | 112.5 | T112 A406 G407 F412 C413 A414 | T112-S410 WeakPolarHBondContact CA-OG 3.46Å; T112-S410 PolarHBondContact OG1-OG 3.04Å; A406-S410 WeakPolarHBondContact O-CB 3.3Å; A406-S410 PolarHBondContact O-N 3.32Å; A406-S410 PolarHBondContact O-OG 2.95Å; G407-S410 PolarHBondContact O-OG 3.31Å; S410-F412 PolarHBondContact O-N 3.45Å; S410-C413 PolarHBondContact O-N 3.14Å; S410-A414 WeakPolarHBondContact O-CB 3.28Å; S410-A414 PolarHBondContact O-N 3.38Å |
| 411 | L | 91.1 | Very high | 88.1 | Confident | 0 Ų | 0 | 10.6 Ų | 10.6 | 0% | 0 | 5% | 0.052 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 175.7 | -176 | 59 | 0 | 0 | 0 | 111.6 | T112 M160 V164 G407 A414 A415 L446 A449 | T112-L411 HydrophobicContact CG2-CB 3.82Å; T112-L411 HydrophobicContact CG2-CD1 4.29Å; T112-L411 HydrophobicContact CG2-CG 4.43Å; T112-L411 WeakPolarHBondContact OG1-CA 3.44Å; T112-L411 PolarHBondContact OG1-N 3.34Å; T112-L411 VanDerWaalsContact OG1-N 3.17Å; M160-L411 HydrophobicContact CB-CD2 4.42Å; V164-L411 HydrophobicContact CG2-CD2 4.26Å; G407-L411 WeakPolarHBondContact O-CB 3.4Å; G407-L411 PolarHBondContact O-N 3.26Å; G407-L411 VanDerWaalsContact O-N 3.1Å; L411-A414 PolarHBondContact O-N 2.99Å; L411-A415 PolarHBondContact O-N 3.25Å; L411-L446 HydrophobicContact CD1-CD1 4.15Å; L411-L446 HydrophobicContact CD2-CD1 4.32Å; L411-L446 HydrophobicContact CG-CD1 3.82Å; L411-A449 HydrophobicContact CD1-CB 3.83Å |
| 412 | F | 86.7 | Confident | 88 | Confident | 7 Ų | 7 | 9.5 Ų | 9.5 | 3% | 0.031 | 4% | 0.042 | C | C | . | . | H | α-helix | trans | -62.6 | -44.2 | 175.5 | 164.7 | -110.9 | 0 | 0 | 0 | 112.3 | V164 V168 T171 L408 Q409 S410 A415 R416 | V164-F412 HydrophobicContact CG1-CB 4.23Å; V164-F412 HydrophobicContact CG1-CD2 4.46Å; V168-F412 HydrophobicContact CB-CD2 4.46Å; V168-F412 HydrophobicContact CB-CE2 3.85Å; V168-F412 HydrophobicContact CB-CZ 4.23Å; V168-F412 HydrophobicContact CG1-CD2 4.15Å; V168-F412 HydrophobicContact CG1-CE1 4.01Å; V168-F412 HydrophobicContact CG1-CE2 3.36Å; V168-F412 HydrophobicContact CG1-CZ 3.24Å; V168-F412 HydrophobicContact CG2-CD2 3.63Å; V168-F412 HydrophobicContact CG2-CE2 3.13Å; V168-F412 HydrophobicContact CG2-CZ 3.97Å; T171-F412 HydrophobicContact CG2-CB 4.42Å; L408-F412 VanDerWaalsContact O-CB 3.26Å; L408-F412 WeakPolarHBondContact O-CB 3.28Å; L408-F412 PolarHBondContact O-N 3.42Å; L408-F412 VanDerWaalsContact O-N 3.08Å; Q409-F412 PolarHBondContact O-N 3.1Å; S410-F412 PolarHBondContact O-N 3.45Å; F412-A415 PolarHBondContact O-N 3.28Å; F412-R416 HydrophobicContact CD2-CG 4.34Å; F412-R416 HydrophobicContact CE2-CG 3.63Å; F412-R416 HydrophobicContact CZ-CG 3.96Å; F412-R416 PolarHBondContact O-N 2.9Å; F412-R416 VanDerWaalsContact O-N 3.14Å |
| 413 | C | 85.9 | Confident | 87.7 | Confident | 2 Ų | 2 | 16 Ų | 16 | 1% | 0.014 | 7% | 0.071 | C | C | . | . | H | α-helix | trans | -62.8 | -43.9 | 178.8 | -70.1 | 0 | 0 | 0 | 0 | 111.3 | N327 Q409 S410 A415 R416 L417 | N327-C413 PolarHBondContact ND2-SG 3.23Å; Q409-C413 PolarHBondContact NE2-SG 3.48Å; Q409-C413 VanDerWaalsContact NE2-SG 3.43Å; Q409-C413 VanDerWaalsContact O-CB 3.31Å; Q409-C413 WeakPolarHBondContact O-CB 3.31Å; Q409-C413 PolarHBondContact O-N 3.33Å; Q409-C413 PolarHBondContact O-SG 3.2Å; S410-C413 PolarHBondContact O-N 3.14Å; C413-A415 VanDerWaalsContact C-N 3.34Å; C413-A415 PolarHBondContact O-N 2.98Å; C413-R416 PolarHBondContact O-N 3.39Å; C413-L417 WeakPolarHBondContact O-CB 3.28Å; C413-L417 WeakPolarHBondContact O-CD1 3.35Å; C413-L417 WeakPolarHBondContact O-CG 3.42Å; C413-L417 PolarHBondContact O-N 2.84Å |
| 414 | A | 89.8 | Confident | 87.3 | Confident | 0 Ų | 0 | 18.4 Ų | 18.4 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -55.4 | -48.6 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.3 | F105 N108 A109 S410 L411 R416 L417 I418 A449 | F105-A414 HydrophobicContact CD2-CB 3.89Å; F105-A414 VanDerWaalsContact CD2-O 3.28Å; F105-A414 WeakPolarHBondContact CD2-O 3.26Å; F105-A414 HydrophobicContact CE2-CB 4.1Å; N108-A414 HydrophobicContact CB-CB 3.96Å; A109-A414 HydrophobicContact CB-CB 4.45Å; S410-A414 WeakPolarHBondContact O-CB 3.28Å; S410-A414 PolarHBondContact O-N 3.38Å; L411-A414 PolarHBondContact O-N 2.99Å; A414-R416 PolarHBondContact O-N 3.4Å; A414-L417 PolarHBondContact O-N 3.47Å; A414-I418 PolarHBondContact O-N 2.92Å; A414-A449 HydrophobicContact CB-CB 3.93Å |
| 415 | A | 87.7 | Confident | 86.9 | Confident | 2 Ų | 2 | 20 Ų | 20 | 2% | 0.017 | 9% | 0.091 | C | C | . | . | H | α-helix | trans | -61.6 | -40.5 | 179.8 | 0 | 0 | 0 | 0 | 0 | 113 | L411 F412 C413 Q419 P442 A445 L446 | L411-A415 PolarHBondContact O-N 3.25Å; F412-A415 PolarHBondContact O-N 3.28Å; C413-A415 VanDerWaalsContact C-N 3.34Å; C413-A415 PolarHBondContact O-N 2.98Å; A415-Q419 PolarHBondContact O-N 3.33Å; A415-P442 HydrophobicContact CB-CG 4.24Å; A415-A445 HydrophobicContact CB-CB 4.35Å; A415-A445 WeakPolarHBondContact O-CB 3.21Å; A415-L446 HydrophobicContact CB-CB 3.95Å; A415-L446 HydrophobicContact CB-CD1 4Å |
| 416 | R | 82.8 | Confident | 86.3 | Confident | 90 Ų | 90 | 20.8 Ų | 20.8 | 34% | 0.34 | 10% | 0.095 | S | C | . | . | H | α-helix | trans | -77.7 | -16.1 | 178.3 | -75.5 | -156.1 | 173.7 | 173 | 4 | 114.6 | F412 C413 A414 P420 E441 | F412-R416 HydrophobicContact CD2-CG 4.34Å; F412-R416 HydrophobicContact CE2-CG 3.63Å; F412-R416 HydrophobicContact CZ-CG 3.96Å; F412-R416 PolarHBondContact O-N 2.9Å; F412-R416 VanDerWaalsContact O-N 3.14Å; C413-R416 PolarHBondContact O-N 3.39Å; A414-R416 PolarHBondContact O-N 3.4Å; R416-P420 WeakPolarHBondContact O-CD 3.39Å; R416-P420 WeakPolarHBondContact O-CG 3.41Å; R416-E441 IonicContact NH2-OE1 3.37Å; R416-E441 IonicContact NH2-OE2 3.22Å |
| 417 | L | 86.9 | Confident | 86 | Confident | 4 Ų | 4 | 21.1 Ų | 21.1 | 2% | 0.021 | 10% | 0.097 | C | C | . | . | H | α-helix | trans | -79.5 | -45.3 | 175.1 | -76.4 | 162.9 | 0 | 0 | 0 | 112.5 | P84 F104 N108 C413 A414 P420 V421 | P84-L417 HydrophobicContact CG-CD2 3.31Å; F104-L417 HydrophobicContact CD1-CD1 3.18Å; F104-L417 HydrophobicContact CD1-CD2 3.56Å; F104-L417 HydrophobicContact CD1-CG 3.99Å; F104-L417 HydrophobicContact CE1-CD1 3.42Å; F104-L417 VanDerWaalsContact CE1-CD1 3.42Å; F104-L417 HydrophobicContact CE1-CD2 3.9Å; F104-L417 HydrophobicContact CE1-CG 4.24Å; F104-L417 HydrophobicContact CG-CD1 4.03Å; F104-L417 HydrophobicContact CZ-CD1 4.43Å; N108-L417 VanDerWaalsContact ND2-CD1 3.34Å; N108-L417 WeakPolarHBondContact ND2-CD1 3.29Å; C413-L417 WeakPolarHBondContact O-CB 3.28Å; C413-L417 WeakPolarHBondContact O-CD1 3.35Å; C413-L417 WeakPolarHBondContact O-CG 3.42Å; C413-L417 PolarHBondContact O-N 2.84Å; A414-L417 PolarHBondContact O-N 3.47Å; L417-P420 WeakPolarHBondContact O-CD 3.47Å; L417-V421 WeakPolarHBondContact O-CG2 3.42Å |
| 418 | I | 88.6 | Confident | 85.5 | Confident | 2 Ų | 2 | 24 Ų | 24 | 1% | 0.01 | 12% | 0.115 | C | C | . | . | H | α-helix | trans | -77.5 | -24.6 | -175.2 | -161.7 | 63.4 | 0 | 0 | 0 | 112.3 | V102 F105 A414 V421 A422 L430 L433 A445 | V102-I418 HydrophobicContact CG2-CD1 4.34Å; F105-I418 HydrophobicContact CB-CB 4.41Å; F105-I418 HydrophobicContact CB-CD1 4.37Å; F105-I418 HydrophobicContact CD1-CD1 4.11Å; F105-I418 HydrophobicContact CD1-CG1 4.37Å; F105-I418 HydrophobicContact CD2-CB 3.74Å; F105-I418 HydrophobicContact CD2-CG1 4.38Å; F105-I418 HydrophobicContact CD2-CG2 3.99Å; F105-I418 HydrophobicContact CE2-CB 4.12Å; F105-I418 HydrophobicContact CE2-CG2 3.94Å; F105-I418 HydrophobicContact CG-CB 3.97Å; F105-I418 HydrophobicContact CG-CD1 4.14Å; F105-I418 HydrophobicContact CG-CG1 4.26Å; A414-I418 PolarHBondContact O-N 2.92Å; I418-V421 HydrophobicContact CD1-CB 4.33Å; I418-V421 HydrophobicContact CD1-CG1 4.41Å; I418-V421 PolarHBondContact O-N 2.87Å; I418-A422 WeakPolarHBondContact O-CB 3.45Å; I418-A422 PolarHBondContact O-N 3.27Å; I418-L430 HydrophobicContact CD1-CD1 3.94Å; I418-L433 HydrophobicContact CG1-CD1 4.21Å; I418-A445 HydrophobicContact CG2-CB 3.45Å; I418-A445 VanDerWaalsContact CG2-CB 3.45Å |
| 419 | Q | 87.4 | Confident | 85.4 | Confident | 31 Ų | 31 | 30.5 Ų | 30.5 | 15% | 0.145 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -64.5 | -47.2 | 179.7 | 177.2 | -95 | -13 | 0 | 0 | 113.4 | A415 A422 K423 L436 P442 A445 | A415-Q419 PolarHBondContact O-N 3.33Å; Q419-A422 PolarHBondContact O-N 3.44Å; Q419-K423 PolarHBondContact O-N 3.43Å; Q419-L436 HydrophobicContact CG-CD2 4.14Å; Q419-P442 HydrophobicContact CB-CB 3.88Å; Q419-P442 HydrophobicContact CG-CB 3.87Å; Q419-A445 HydrophobicContact CB-CB 4.48Å |
| 420 | P | 84 | Confident | 85.4 | Confident | 5 Ų | 5 | 31.2 Ų | 31.2 | 3% | 0.032 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -60.1 | -43.5 | 170.2 | -31.3 | 40.7 | 0 | 0 | 0 | 114 | Y85 F86 R416 L417 A422 K423 D424 | Y85-P420 HydrophobicContact CD1-CB 3.38Å; Y85-P420 HydrophobicContact CE1-CB 3.97Å; Y85-P420 HydrophobicContact CG-CB 4.15Å; F86-P420 HydrophobicContact CD2-CB 3.98Å; F86-P420 HydrophobicContact CD2-CG 4.42Å; F86-P420 HydrophobicContact CE2-CB 3.58Å; F86-P420 HydrophobicContact CE2-CG 4.11Å; F86-P420 HydrophobicContact CZ-CB 4.33Å; R416-P420 WeakPolarHBondContact O-CD 3.39Å; R416-P420 WeakPolarHBondContact O-CG 3.41Å; L417-P420 WeakPolarHBondContact O-CD 3.47Å; P420-A422 VanDerWaalsContact C-N 3.25Å; P420-A422 PolarHBondContact O-N 2.89Å; P420-K423 WeakPolarHBondContact O-CA 3.42Å; P420-K423 WeakPolarHBondContact O-CB 3.39Å; P420-K423 PolarHBondContact O-N 3.15Å; P420-D424 PolarHBondContact O-N 3.29Å |
| 421 | V | 86.2 | Confident | 85.3 | Confident | 0 Ų | 0 | 36.8 Ų | 36.8 | 0% | 0 | 17% | 0.172 | C | C | . | . | H | α-helix | trans | -57.6 | -42.1 | 176.5 | 177.2 | 0 | 0 | 0 | 0 | 110.8 | Y85 V102 L417 I418 K423 L430 | Y85-V421 HydrophobicContact CD1-CG2 4.35Å; Y85-V421 HydrophobicContact CD2-CG2 3.39Å; Y85-V421 HydrophobicContact CE1-CG2 4.34Å; Y85-V421 HydrophobicContact CE2-CB 4.25Å; Y85-V421 HydrophobicContact CE2-CG2 3.42Å; Y85-V421 VanDerWaalsContact CE2-CG2 3.42Å; Y85-V421 HydrophobicContact CG-CG2 3.86Å; V102-V421 HydrophobicContact CG2-CG1 4.19Å; L417-V421 WeakPolarHBondContact O-CG2 3.42Å; I418-V421 HydrophobicContact CD1-CB 4.33Å; I418-V421 HydrophobicContact CD1-CG1 4.41Å; I418-V421 PolarHBondContact O-N 2.87Å; V421-K423 VanDerWaalsContact C-N 3.33Å; V421-L430 HydrophobicContact CG1-CD1 4.48Å |
| 422 | A | 87.2 | Confident | 85.2 | Confident | 2 Ų | 2 | 39.8 Ų | 39.8 | 2% | 0.017 | 19% | 0.191 | C | C | . | . | H | α-helix | trans | -68.1 | -31.8 | 175.7 | 0 | 0 | 0 | 0 | 0 | 112.9 | I418 Q419 P420 E425 L430 L433 | I418-A422 WeakPolarHBondContact O-CB 3.45Å; I418-A422 PolarHBondContact O-N 3.27Å; Q419-A422 PolarHBondContact O-N 3.44Å; P420-A422 VanDerWaalsContact C-N 3.25Å; P420-A422 PolarHBondContact O-N 2.89Å; A422-E425 PolarHBondContact O-N 3.48Å; A422-L430 HydrophobicContact CB-CB 4.19Å; A422-L430 WeakPolarHBondContact CB-O 3.41Å; A422-L433 HydrophobicContact CB-CB 4.1Å |
| 423 | K | 84.2 | Confident | 85.3 | Confident | 136 Ų | 136 | 40.5 Ų | 40.5 | 59% | 0.591 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -71.2 | -34.5 | 178.5 | -172.2 | -177.2 | 175.9 | -173.4 | 0 | 112.5 | Q419 P420 V421 E425 | Q419-K423 PolarHBondContact O-N 3.43Å; P420-K423 WeakPolarHBondContact O-CA 3.42Å; P420-K423 WeakPolarHBondContact O-CB 3.39Å; P420-K423 PolarHBondContact O-N 3.15Å; V421-K423 VanDerWaalsContact C-N 3.33Å; K423-E425 PolarHBondContact O-N 2.96Å |
| 424 | D | 81.6 | Confident | 85.2 | Confident | 52 Ų | 52 | 41.1 Ų | 41.1 | 28% | 0.278 | 20% | 0.202 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -72.8 | -6.6 | 176.7 | -77.2 | 5.1 | 0 | 0 | 0 | 112.8 | Y85 P420 L426 | Y85-D424 WeakPolarHBondContact CE1-OD2 3.3Å; Y85-D424 PolarHBondContact OH-OD2 3.05Å; Y85-D424 VanDerWaalsContact OH-OD2 3.08Å; P420-D424 PolarHBondContact O-N 3.29Å; D424-L426 HydrophobicContact CB-CD1 4.44Å; D424-L426 HydrophobicContact CB-CG 4.04Å; D424-L426 PolarHBondContact O-N 2.83Å; D424-L426 VanDerWaalsContact O-N 3.09Å |
| 425 | E | 81.7 | Confident | 84.9 | Confident | 75 Ų | 75 | 47.7 Ų | 47.7 | 35% | 0.35 | 23% | 0.231 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 55.2 | 24.3 | 177.6 | -56.6 | -176.5 | 144.8 | 0 | 0 | 113.9 | A422 K423 I427 K431 K547 | A422-E425 PolarHBondContact O-N 3.48Å; K423-E425 PolarHBondContact O-N 2.96Å; E425-I427 PolarHBondContact O-N 3.38Å; E425-K431 WeakPolarHBondContact OE1-CE 3.41Å; E425-K431 IonicContact OE1-NZ 3.15Å; E425-K431 PolarHBondContact OE1-NZ 2.86Å; E425-K547 IonicContact OE2-NZ 2.73Å; E425-K547 PolarHBondContact OE2-NZ 3.42Å |
| 426 | L | 76.3 | Confident | 84.7 | Confident | 21 Ų | 21 | 50.8 Ų | 50.8 | 11% | 0.11 | 25% | 0.246 | C | C | . | . | S | Bend | trans | -60.4 | -33.7 | 175.6 | -63.1 | 179.2 | 0 | 0 | 0 | 111.3 | Y85 P94 D424 I540 | Y85-L426 WeakPolarHBondContact OH-CD1 3.34Å; P94-L426 HydrophobicContact CB-CD1 4.34Å; P94-L426 HydrophobicContact CB-CD2 4.03Å; P94-L426 VanDerWaalsContact O-CD1 3.22Å; P94-L426 WeakPolarHBondContact O-CD1 3.42Å; D424-L426 HydrophobicContact CB-CD1 4.44Å; D424-L426 HydrophobicContact CB-CG 4.04Å; D424-L426 PolarHBondContact O-N 2.83Å; D424-L426 VanDerWaalsContact O-N 3.09Å; L426-I540 HydrophobicContact CB-CG2 4.09Å; L426-I540 HydrophobicContact CD1-CG2 4.22Å; L426-I540 HydrophobicContact CD2-CG2 4.23Å; L426-I540 HydrophobicContact CG-CG2 4.42Å |
| 427 | I | 82.3 | Confident | 84.6 | Confident | 8 Ų | 8 | 49.5 Ų | 49.5 | 4% | 0.041 | 25% | 0.247 | C | C | . | . | S | Bend | trans | -123.3 | 100.9 | -178.8 | -58 | 177.7 | 0 | 0 | 0 | 108.2 | V102 E425 F429 L430 I540 | V102-I427 HydrophobicContact CG2-CD1 3.88Å; E425-I427 PolarHBondContact O-N 3.38Å; I427-F429 HydrophobicContact CG2-CD1 3.36Å; I427-F429 HydrophobicContact CG2-CD2 4.01Å; I427-F429 HydrophobicContact CG2-CE1 3.02Å; I427-F429 HydrophobicContact CG2-CE2 3.71Å; I427-F429 HydrophobicContact CG2-CG 3.86Å; I427-F429 HydrophobicContact CG2-CZ 3.2Å; I427-F429 PolarHBondContact O-N 3.46Å; I427-F429 VanDerWaalsContact O-N 3.13Å; I427-L430 HydrophobicContact CB-CB 4.33Å; I427-L430 HydrophobicContact CB-CD1 3.83Å; I427-L430 HydrophobicContact CB-CG 4.03Å; I427-L430 HydrophobicContact CD1-CD1 3.76Å; I427-L430 HydrophobicContact CG1-CD1 4.35Å; I427-L430 HydrophobicContact CG2-CB 4.33Å; I427-L430 HydrophobicContact CG2-CD1 3.86Å; I427-L430 HydrophobicContact CG2-CG 3.7Å; I427-L430 PolarHBondContact O-N 3.49Å; I427-I540 HydrophobicContact CD1-CD1 4.24Å; I427-I540 HydrophobicContact CD1-CG1 4.3Å; I427-I540 HydrophobicContact CG1-CD1 4.48Å; I427-I540 HydrophobicContact CG1-CG1 4.08Å |
| 428 | P | 80.2 | Confident | 84.4 | Confident | 60 Ų | 60 | 59.3 Ų | 59.3 | 39% | 0.39 | 29% | 0.289 | S | S | . | . | G | 310 helix | trans | -58.8 | -32.2 | -170.3 | -28.5 | 35.3 | 0 | 0 | 0 | 114.7 | L430 K431 | P428-L430 VanDerWaalsContact C-N 3.27Å; P428-L430 PolarHBondContact O-N 2.97Å; P428-K431 WeakPolarHBondContact O-CB 3.34Å; P428-K431 PolarHBondContact O-N 3.39Å |
| 429 | F | 86.8 | Confident | 83.6 | Confident | 140 Ų | 140 | 68.9 Ų | 68.9 | 61% | 0.614 | 33% | 0.325 | S | S | * | . | G | 310 helix | trans | -73.3 | -18.7 | 179.3 | 66.2 | -102.4 | 0 | 0 | 0 | 113.3 | I427 P432 | I427-F429 HydrophobicContact CG2-CD1 3.36Å; I427-F429 HydrophobicContact CG2-CD2 4.01Å; I427-F429 HydrophobicContact CG2-CE1 3.02Å; I427-F429 HydrophobicContact CG2-CE2 3.71Å; I427-F429 HydrophobicContact CG2-CG 3.86Å; I427-F429 HydrophobicContact CG2-CZ 3.2Å; I427-F429 PolarHBondContact O-N 3.46Å; I427-F429 VanDerWaalsContact O-N 3.13Å; F429-P432 VanDerWaalsContact O-CD 3.32Å; F429-P432 WeakPolarHBondContact O-CD 3.32Å |
| 430 | L | 87.2 | Confident | 83 | Confident | 18 Ų | 18 | 72.8 Ų | 72.8 | 9% | 0.094 | 35% | 0.347 | C | S | . | . | G | 310 helix | trans | -85.1 | -13.3 | 174.8 | -62.6 | -179.9 | 0 | 0 | 0 | 112.7 | I418 V421 A422 I427 P428 P432 L433 | I418-L430 HydrophobicContact CD1-CD1 3.94Å; V421-L430 HydrophobicContact CG1-CD1 4.48Å; A422-L430 HydrophobicContact CB-CB 4.19Å; A422-L430 WeakPolarHBondContact CB-O 3.41Å; I427-L430 HydrophobicContact CB-CB 4.33Å; I427-L430 HydrophobicContact CB-CD1 3.83Å; I427-L430 HydrophobicContact CB-CG 4.03Å; I427-L430 HydrophobicContact CD1-CD1 3.76Å; I427-L430 HydrophobicContact CG1-CD1 4.35Å; I427-L430 HydrophobicContact CG2-CB 4.33Å; I427-L430 HydrophobicContact CG2-CD1 3.86Å; I427-L430 HydrophobicContact CG2-CG 3.7Å; I427-L430 PolarHBondContact O-N 3.49Å; P428-L430 VanDerWaalsContact C-N 3.27Å; P428-L430 PolarHBondContact O-N 2.97Å; L430-P432 VanDerWaalsContact C-N 3.31Å; L430-P432 VanDerWaalsContact O-N 3.11Å; L430-L433 HydrophobicContact CB-CD1 4.24Å; L430-L433 HydrophobicContact CD2-CD1 3.55Å; L430-L433 HydrophobicContact CG-CD1 4.45Å; L430-L433 VanDerWaalsContact O-CB 3.23Å; L430-L433 WeakPolarHBondContact O-CB 3.14Å; L430-L433 WeakPolarHBondContact O-CG 3.35Å; L430-L433 PolarHBondContact O-N 3.22Å |
| 431 | K | 87.3 | Confident | 82.8 | Confident | 118 Ų | 118 | 74.5 Ų | 74.5 | 51% | 0.513 | 35% | 0.354 | S | S | . | . | G | 310 helix | trans | -42 | -44.8 | 176.3 | -177.3 | 167.8 | 178.7 | 154.2 | 0 | 115.1 | E425 P428 L433 G434 | E425-K431 WeakPolarHBondContact OE1-CE 3.41Å; E425-K431 IonicContact OE1-NZ 3.15Å; E425-K431 PolarHBondContact OE1-NZ 2.86Å; P428-K431 WeakPolarHBondContact O-CB 3.34Å; P428-K431 PolarHBondContact O-N 3.39Å; K431-L433 PolarHBondContact O-N 3.49Å; K431-G434 PolarHBondContact O-N 2.99Å; K431-G434 VanDerWaalsContact O-N 3.12Å |
| 432 | P | 88.5 | Confident | 82.8 | Confident | 62 Ų | 62 | 74.9 Ų | 74.9 | 40% | 0.403 | 36% | 0.357 | S | S | . | . | G | 310 helix | trans | -60.7 | -24 | 178.2 | 22.6 | -35.5 | 0 | 0 | 0 | 114.4 | F429 L430 G434 R444 | F429-P432 VanDerWaalsContact O-CD 3.32Å; F429-P432 WeakPolarHBondContact O-CD 3.32Å; L430-P432 VanDerWaalsContact C-N 3.31Å; L430-P432 VanDerWaalsContact O-N 3.11Å; P432-G434 VanDerWaalsContact C-N 3.32Å; P432-R444 WeakPolarHBondContact O-CD 3.41Å; P432-R444 PolarHBondContact O-NH1 2.93Å |
| 433 | L | 88.1 | Confident | 82.9 | Confident | 22 Ų | 22 | 78.8 Ų | 78.8 | 12% | 0.115 | 37% | 0.374 | C | S | . | . | G | 310 helix | trans | -75.8 | -20.3 | 178.8 | -53.5 | 176.3 | 0 | 0 | 0 | 112.7 | I418 A422 L430 K431 K435 R444 L448 | I418-L433 HydrophobicContact CG1-CD1 4.21Å; A422-L433 HydrophobicContact CB-CB 4.1Å; L430-L433 HydrophobicContact CB-CD1 4.24Å; L430-L433 HydrophobicContact CD2-CD1 3.55Å; L430-L433 HydrophobicContact CG-CD1 4.45Å; L430-L433 VanDerWaalsContact O-CB 3.23Å; L430-L433 WeakPolarHBondContact O-CB 3.14Å; L430-L433 WeakPolarHBondContact O-CG 3.35Å; L430-L433 PolarHBondContact O-N 3.22Å; K431-L433 PolarHBondContact O-N 3.49Å; L433-K435 PolarHBondContact O-N 3.06Å; L433-R444 HydrophobicContact CD2-CB 4.05Å; L433-L448 HydrophobicContact CD1-CD2 3.59Å; L433-L448 HydrophobicContact CD2-CD2 4.49Å |
| 434 | G | 84 | Confident | 83.2 | Confident | 16 Ų | 16 | 77.8 Ų | 77.8 | 17% | 0.165 | 37% | 0.366 | C | S | . | . | G | 310 helix | trans | -72.4 | -12.4 | 179.4 | 0 | 0 | 0 | 0 | 0 | 114.2 | K431 P432 L436 | K431-G434 PolarHBondContact O-N 2.99Å; K431-G434 VanDerWaalsContact O-N 3.12Å; P432-G434 VanDerWaalsContact C-N 3.32Å; G434-L436 PolarHBondContact O-N 3.31Å |
| 435 | K | 85.1 | Confident | 83.6 | Confident | 138 Ų | 138 | 75.3 Ų | 75.3 | 60% | 0.6 | 35% | 0.353 | S | S | * | . | trans | -76.7 | 122.8 | -176.3 | -167 | 177.2 | -177.3 | 179.6 | 0 | 110.9 | L433 | L433-K435 PolarHBondContact O-N 3.06Š| ||
| 436 | L | 83 | Confident | 84.1 | Confident | 66 Ų | 66 | 72.1 Ų | 72.1 | 35% | 0.346 | 34% | 0.339 | S | S | . | . | trans | -86 | 148.1 | 175 | -61.9 | 169.7 | 0 | 0 | 0 | 111.2 | Q419 G434 P442 | Q419-L436 HydrophobicContact CG-CD2 4.14Å; G434-L436 PolarHBondContact O-N 3.31Å; L436-P442 HydrophobicContact CD2-CB 4Å | ||
| 437 | N | 80.8 | Confident | 85 | Confident | 64 Ų | 64 | 75.2 Ų | 75.2 | 34% | 0.342 | 36% | 0.355 | S | S | . | . | trans | -75.9 | 175.9 | 170.7 | -77.1 | 2.7 | 0 | 0 | 0 | 111.5 | W439 N440 E441 F443 | N437-W439 PolarHBondContact O-N 3.28Å; N437-W439 VanDerWaalsContact O-N 3.08Å; N437-N440 PolarHBondContact O-N 3.04Å; N437-E441 PolarHBondContact N-O 3.41Å; N437-F443 WeakPolarHBondContact ND2-CB 3.2Å | ||
| 438 | K | 81.3 | Confident | 85.5 | Confident | 210 Ų | 210 | 77.6 Ų | 77.6 | 91% | 0.913 | 37% | 0.367 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -54.3 | -27.9 | 176.8 | -66.4 | -178.4 | 179.7 | 178.5 | 0 | 113.6 | N440 | K438-N440 VanDerWaalsContact C-N 3.32Š|
| 439 | W | 72.6 | Confident | 86.2 | Confident | 203 Ų | 203 | 74.7 Ų | 74.7 | 77% | 0.769 | 35% | 0.348 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -87.8 | 11.2 | 177.5 | -57 | -56.3 | 0 | 0 | 0 | 114.3 | N437 E441 | N437-W439 PolarHBondContact O-N 3.28Å; N437-W439 VanDerWaalsContact O-N 3.08Å; W439-E441 PolarHBondContact O-N 2.96Å |
| 440 | N | 74.2 | Confident | 86.6 | Confident | 113 Ų | 113 | 70.4 Ų | 70.4 | 60% | 0.604 | 33% | 0.328 | S | S | * | . | S | Bend | trans | 60.2 | 26.4 | -173.2 | -71.3 | -27.1 | 0 | 0 | 0 | 114.8 | N437 K438 | N437-N440 PolarHBondContact O-N 3.04Å; K438-N440 VanDerWaalsContact C-N 3.32Å |
| 441 | E | 80.4 | Confident | 87 | Confident | 40 Ų | 40 | 71.6 Ų | 71.6 | 19% | 0.187 | 34% | 0.341 | C | S | . | . | trans | -107.2 | 142.6 | 178.2 | -65.5 | -59.5 | 163.7 | 0 | 0 | 112.7 | V168 R416 N437 W439 F443 | V168-E441 WeakPolarHBondContact CG2-OE1 3.34Å; V168-E441 WeakPolarHBondContact CG2-OE2 3.43Å; R416-E441 IonicContact NH2-OE1 3.37Å; R416-E441 IonicContact NH2-OE2 3.22Å; N437-E441 PolarHBondContact N-O 3.41Å; W439-E441 PolarHBondContact O-N 2.96Å; E441-F443 PolarHBondContact O-N 3.05Å; E441-F443 VanDerWaalsContact O-N 3.12Å | ||
| 442 | P | 85.1 | Confident | 87.3 | Confident | 9 Ų | 9 | 67.6 Ų | 67.6 | 6% | 0.058 | 33% | 0.325 | C | S | . | . | trans | -88.2 | 69.9 | -173.3 | 38.4 | -38.7 | 0 | 0 | 0 | 112.4 | A415 Q419 L436 R444 A445 L446 | A415-P442 HydrophobicContact CB-CG 4.24Å; Q419-P442 HydrophobicContact CB-CB 3.88Å; Q419-P442 HydrophobicContact CG-CB 3.87Å; L436-P442 HydrophobicContact CD2-CB 4Å; P442-R444 VanDerWaalsContact C-N 3.33Å; P442-R444 PolarHBondContact O-N 3.33Å; P442-A445 HydrophobicContact CB-CB 3.97Å; P442-A445 WeakPolarHBondContact O-CB 3.41Å; P442-A445 PolarHBondContact O-N 3.49Å; P442-A445 VanDerWaalsContact O-N 3.15Å; P442-L446 PolarHBondContact O-N 3.29Å | ||
| 443 | F | 89.7 | Confident | 87.7 | Confident | 84 Ų | 84 | 64.6 Ų | 64.6 | 37% | 0.368 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -58.2 | -39 | -173.9 | -178.4 | -98 | 0 | 0 | 0 | 114.3 | F161 N437 E441 L446 L447 | F161-F443 HydrophobicContact CE1-CE2 4.46Å; F161-F443 AromaticContact CZ-CE2 3.87Å; F161-F443 HydrophobicContact CZ-CE2 3.87Å; F161-F443 HydrophobicContact CZ-CZ 4.15Å; N437-F443 WeakPolarHBondContact ND2-CB 3.2Å; E441-F443 PolarHBondContact O-N 3.05Å; E441-F443 VanDerWaalsContact O-N 3.12Å; F443-L446 PolarHBondContact O-N 2.95Å; F443-L447 WeakPolarHBondContact O-CB 3.33Å; F443-L447 PolarHBondContact O-N 3.39Å |
| 444 | R | 90.4 | Very high | 88 | Confident | 114 Ų | 114 | 65.5 Ų | 65.5 | 43% | 0.43 | 31% | 0.309 | S | S | . | . | H | α-helix | trans | -68.4 | -37 | 179 | -69.1 | 176.5 | 174 | -170.5 | -6.2 | 112.7 | P432 L433 P442 L448 | P432-R444 WeakPolarHBondContact O-CD 3.41Å; P432-R444 PolarHBondContact O-NH1 2.93Å; L433-R444 HydrophobicContact CD2-CB 4.05Å; P442-R444 VanDerWaalsContact C-N 3.33Å; P442-R444 PolarHBondContact O-N 3.33Å; R444-L448 PolarHBondContact O-N 2.98Å; R444-L448 VanDerWaalsContact O-N 3.16Å |
| 445 | A | 91.1 | Very high | 88.5 | Confident | 0 Ų | 0 | 70.5 Ų | 70.5 | 0% | 0 | 33% | 0.332 | C | S | . | . | H | α-helix | trans | -66.6 | -41.5 | 174.4 | 0 | 0 | 0 | 0 | 0 | 111.1 | A415 I418 Q419 P442 L448 A449 | A415-A445 HydrophobicContact CB-CB 4.35Å; A415-A445 WeakPolarHBondContact O-CB 3.21Å; I418-A445 HydrophobicContact CG2-CB 3.45Å; I418-A445 VanDerWaalsContact CG2-CB 3.45Å; Q419-A445 HydrophobicContact CB-CB 4.48Å; P442-A445 HydrophobicContact CB-CB 3.97Å; P442-A445 WeakPolarHBondContact O-CB 3.41Å; P442-A445 PolarHBondContact O-N 3.49Å; P442-A445 VanDerWaalsContact O-N 3.15Å; A445-L448 PolarHBondContact O-N 3.5Å; A445-A449 PolarHBondContact O-N 2.96Å |
| 446 | L | 92.3 | Very high | 88.8 | Confident | 9 Ų | 9 | 64.6 Ų | 64.6 | 5% | 0.047 | 31% | 0.308 | C | S | . | . | H | α-helix | trans | -63.1 | -42.3 | 175.5 | -175.7 | 65.3 | 0 | 0 | 0 | 111.9 | F161 V164 C165 L411 A415 P442 F443 L448 A449 Y450 | F161-L446 HydrophobicContact CD2-CD2 4.03Å; F161-L446 HydrophobicContact CD2-CG 3.82Å; F161-L446 HydrophobicContact CE2-CB 4.44Å; F161-L446 HydrophobicContact CE2-CD2 3.89Å; F161-L446 HydrophobicContact CE2-CG 3.69Å; V164-L446 HydrophobicContact CB-CD1 4.25Å; V164-L446 HydrophobicContact CB-CD2 4.14Å; V164-L446 HydrophobicContact CG1-CD1 3.64Å; V164-L446 HydrophobicContact CG1-CD2 3.78Å; V164-L446 HydrophobicContact CG1-CG 4.37Å; C165-L446 VanDerWaalsContact SG-CD2 3.51Å; L411-L446 HydrophobicContact CD1-CD1 4.15Å; L411-L446 HydrophobicContact CD2-CD1 4.32Å; L411-L446 HydrophobicContact CG-CD1 3.82Å; A415-L446 HydrophobicContact CB-CB 3.95Å; A415-L446 HydrophobicContact CB-CD1 4Å; P442-L446 PolarHBondContact O-N 3.29Å; F443-L446 PolarHBondContact O-N 2.95Å; L446-L448 VanDerWaalsContact C-N 3.29Å; L446-L448 PolarHBondContact O-N 2.88Å; L446-A449 PolarHBondContact O-N 3.28Å; L446-Y450 WeakPolarHBondContact O-CB 3.36Å; L446-Y450 PolarHBondContact O-N 2.96Å |
| 447 | L | 93.7 | Very high | 89.3 | Confident | 85 Ų | 85 | 61.5 Ų | 61.5 | 45% | 0.445 | 29% | 0.291 | S | S | . | . | H | α-helix | trans | -60.6 | -39.2 | 175.5 | -175.1 | 68.7 | 0 | 0 | 0 | 111.9 | F161 F443 Y450 A451 | F161-L447 HydrophobicContact CZ-CD1 4.24Å; F443-L447 WeakPolarHBondContact O-CB 3.33Å; F443-L447 PolarHBondContact O-N 3.39Å; L447-Y450 HydrophobicContact CD1-CD1 4.44Å; L447-Y450 PolarHBondContact O-N 3.33Å; L447-A451 WeakPolarHBondContact O-CB 3.24Å; L447-A451 PolarHBondContact O-N 2.76Å |
| 448 | L | 93.9 | Very high | 89.8 | Confident | 58 Ų | 58 | 62.6 Ų | 62.6 | 30% | 0.304 | 30% | 0.297 | S | S | . | . | H | α-helix | trans | -66.4 | -43.7 | 175 | -176.8 | 67.6 | 0 | 0 | 0 | 111.7 | F105 L433 R444 A445 L446 Y450 A451 I452 | F105-L448 HydrophobicContact CE1-CD2 3.97Å; F105-L448 HydrophobicContact CE1-CG 4.39Å; F105-L448 HydrophobicContact CZ-CB 4.46Å; F105-L448 HydrophobicContact CZ-CD2 3.71Å; F105-L448 HydrophobicContact CZ-CG 3.85Å; L433-L448 HydrophobicContact CD1-CD2 3.59Å; L433-L448 HydrophobicContact CD2-CD2 4.49Å; R444-L448 PolarHBondContact O-N 2.98Å; R444-L448 VanDerWaalsContact O-N 3.16Å; A445-L448 PolarHBondContact O-N 3.5Å; L446-L448 VanDerWaalsContact C-N 3.29Å; L446-L448 PolarHBondContact O-N 2.88Å; L448-Y450 VanDerWaalsContact C-N 3.33Å; L448-Y450 PolarHBondContact O-N 3.33Å; L448-A451 PolarHBondContact O-N 2.85Å; L448-I452 HydrophobicContact CD1-CD1 4.4Å; L448-I452 HydrophobicContact CG-CD1 4.17Å; L448-I452 WeakPolarHBondContact O-CG1 3.36Å; L448-I452 PolarHBondContact O-N 3.42Å |
| 449 | A | 94 | Very high | 90.1 | Very high | 0 Ų | 0 | 55.7 Ų | 55.7 | 0% | 0 | 27% | 0.269 | C | S | . | . | H | α-helix | trans | -60.6 | -43.7 | 176 | 0 | 0 | 0 | 0 | 0 | 111.4 | F105 L411 A414 A445 L446 I452 A453 | F105-A449 HydrophobicContact CE2-CB 4.03Å; L411-A449 HydrophobicContact CD1-CB 3.83Å; A414-A449 HydrophobicContact CB-CB 3.93Å; A445-A449 PolarHBondContact O-N 2.96Å; L446-A449 PolarHBondContact O-N 3.28Å; A449-I452 PolarHBondContact O-N 3.49Å; A449-A453 WeakPolarHBondContact O-CB 3.26Å; A449-A453 PolarHBondContact O-N 3.45Å |
| 450 | Y | 94.9 | Very high | 90.3 | Very high | 49 Ų | 49 | 46 Ų | 46 | 19% | 0.192 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -58.8 | -47.4 | 174.3 | 168.9 | -99.2 | 0 | 0 | 0 | 112 | L157 V158 F161 L446 L447 L448 I452 A453 E454 | L157-Y450 HydrophobicContact CB-CE2 4.4Å; L157-Y450 HydrophobicContact CD1-CD2 4.44Å; L157-Y450 HydrophobicContact CD2-CD2 3.67Å; L157-Y450 HydrophobicContact CD2-CE2 3.64Å; L157-Y450 HydrophobicContact CG-CD2 3.68Å; L157-Y450 HydrophobicContact CG-CE2 3.67Å; V158-Y450 HydrophobicContact CG2-CE2 4.06Å; V158-Y450 VanDerWaalsContact CG2-OH 3.23Å; V158-Y450 WeakPolarHBondContact CG2-OH 3.4Å; F161-Y450 HydrophobicContact CB-CD2 3.82Å; F161-Y450 HydrophobicContact CB-CE2 4.32Å; F161-Y450 HydrophobicContact CB-CG 4.49Å; F161-Y450 HydrophobicContact CD2-CD2 4.13Å; F161-Y450 AromaticContact CD2-CG 3.94Å; F161-Y450 HydrophobicContact CD2-CG 3.94Å; F161-Y450 HydrophobicContact CE2-CG 4.43Å; F161-Y450 HydrophobicContact CG-CD2 4.04Å; F161-Y450 HydrophobicContact CG-CG 4.24Å; L446-Y450 WeakPolarHBondContact O-CB 3.36Å; L446-Y450 PolarHBondContact O-N 2.96Å; L447-Y450 HydrophobicContact CD1-CD1 4.44Å; L447-Y450 PolarHBondContact O-N 3.33Å; L448-Y450 VanDerWaalsContact C-N 3.33Å; L448-Y450 PolarHBondContact O-N 3.33Å; Y450-I452 VanDerWaalsContact C-N 3.34Å; Y450-I452 PolarHBondContact O-N 3.31Å; Y450-A453 PolarHBondContact O-N 3.05Å; Y450-E454 WeakPolarHBondContact O-CB 3.23Å; Y450-E454 PolarHBondContact O-N 3.47Å |
| 451 | A | 95.8 | Very high | 90.6 | Very high | 44 Ų | 44 | 41.9 Ų | 41.9 | 36% | 0.364 | 21% | 0.214 | S | C | . | . | H | α-helix | trans | -62.6 | -39.2 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.7 | L447 L448 L455 | L447-A451 WeakPolarHBondContact O-CB 3.24Å; L447-A451 PolarHBondContact O-N 2.76Å; L448-A451 PolarHBondContact O-N 2.85Å; A451-L455 WeakPolarHBondContact O-CG 3.4Å; A451-L455 PolarHBondContact O-N 3.2Å; A451-L455 VanDerWaalsContact O-N 3.11Å |
| 452 | I | 95.2 | Very high | 90.8 | Very high | 33 Ų | 33 | 40.3 Ų | 40.3 | 17% | 0.169 | 21% | 0.207 | C | C | . | . | H | α-helix | trans | -69.4 | -43.2 | 176.5 | -65.5 | 170.8 | 0 | 0 | 0 | 110.6 | F105 L106 A109 V110 L448 A449 Y450 E454 L455 S456 | F105-I452 HydrophobicContact CE1-CD1 3.52Å; F105-I452 HydrophobicContact CZ-CD1 3.67Å; L106-I452 HydrophobicContact CD2-CD1 3.97Å; A109-I452 HydrophobicContact CB-CB 4.04Å; A109-I452 HydrophobicContact CB-CG2 3.76Å; V110-I452 HydrophobicContact CG2-CG2 4.28Å; L448-I452 HydrophobicContact CD1-CD1 4.4Å; L448-I452 HydrophobicContact CG-CD1 4.17Å; L448-I452 WeakPolarHBondContact O-CG1 3.36Å; L448-I452 PolarHBondContact O-N 3.42Å; A449-I452 PolarHBondContact O-N 3.49Å; Y450-I452 VanDerWaalsContact C-N 3.34Å; Y450-I452 PolarHBondContact O-N 3.31Å; I452-E454 VanDerWaalsContact C-N 3.32Å; I452-E454 PolarHBondContact O-N 3.4Å; I452-L455 PolarHBondContact O-N 2.97Å; I452-S456 PolarHBondContact O-N 3.05Å; I452-S456 VanDerWaalsContact O-N 3.1Å; I452-S456 PolarHBondContact O-OG 3.07Å |
| 453 | A | 95.3 | Very high | 90.8 | Very high | 0 Ų | 0 | 40.5 Ų | 40.5 | 0% | 0 | 21% | 0.208 | C | C | . | . | H | α-helix | trans | -60.6 | -42.5 | 176.1 | 0 | 0 | 0 | 0 | 0 | 111.3 | A109 T112 S113 L157 A449 Y450 S456 I457 | A109-A453 WeakPolarHBondContact O-CB 3.39Å; T112-A453 HydrophobicContact CG2-CB 4.32Å; S113-A453 WeakPolarHBondContact CB-O 3.31Å; L157-A453 HydrophobicContact CD1-CB 4.03Å; L157-A453 HydrophobicContact CD2-CB 3.83Å; A449-A453 WeakPolarHBondContact O-CB 3.26Å; A449-A453 PolarHBondContact O-N 3.45Å; Y450-A453 PolarHBondContact O-N 3.05Å; A453-S456 PolarHBondContact O-N 2.91Å; A453-S456 VanDerWaalsContact O-N 3.17Å; A453-I457 WeakPolarHBondContact O-CG1 3.49Å; A453-I457 PolarHBondContact O-N 3.3Å |
| 454 | E | 95.2 | Very high | 90.6 | Very high | 40 Ų | 40 | 42 Ų | 42 | 19% | 0.187 | 22% | 0.216 | C | C | . | . | H | α-helix | trans | -61.2 | -45.8 | 176.7 | -174.9 | 63.9 | -164.6 | 0 | 0 | 111.7 | S154 L157 Y450 I452 S456 I457 L458 | S154-E454 VanDerWaalsContact CB-OE1 3.3Å; S154-E454 WeakPolarHBondContact CB-OE1 3.36Å; S154-E454 PolarHBondContact OG-OE1 2.87Å; S154-E454 PolarHBondContact OG-OE2 3.48Å; L157-E454 HydrophobicContact CD2-CB 4.02Å; L157-E454 WeakPolarHBondContact CD2-OE2 3.38Å; Y450-E454 WeakPolarHBondContact O-CB 3.23Å; Y450-E454 PolarHBondContact O-N 3.47Å; I452-E454 VanDerWaalsContact C-N 3.32Å; I452-E454 PolarHBondContact O-N 3.4Å; E454-S456 PolarHBondContact O-N 3.16Å; E454-I457 PolarHBondContact O-N 2.93Å; E454-I457 VanDerWaalsContact O-N 3.13Å; E454-L458 WeakPolarHBondContact O-CG 3.4Å; E454-L458 PolarHBondContact O-N 3.43Å; E454-L458 VanDerWaalsContact O-N 3.15Å |
| 455 | L | 94.3 | Very high | 90.5 | Very high | 122 Ų | 122 | 36.6 Ų | 36.6 | 64% | 0.639 | 20% | 0.195 | S | C | * | . | H | α-helix | trans | -58.7 | -35.8 | 175.1 | -72.1 | 172.9 | 0 | 0 | 0 | 112.4 | A451 I452 | A451-L455 WeakPolarHBondContact O-CG 3.4Å; A451-L455 PolarHBondContact O-N 3.2Å; A451-L455 VanDerWaalsContact O-N 3.11Å; I452-L455 PolarHBondContact O-N 2.97Å |
| 456 | S | 92.5 | Very high | 90.3 | Very high | 14 Ų | 14 | 36.7 Ų | 36.7 | 10% | 0.098 | 20% | 0.196 | C | C | . | . | H | α-helix | trans | -74.8 | -34.3 | 175.9 | -59.5 | 0 | 0 | 0 | 0 | 113 | S113 I452 A453 E454 L458 I459 I465 | S113-S456 WeakPolarHBondContact OG-CB 3.32Å; I452-S456 PolarHBondContact O-N 3.05Å; I452-S456 VanDerWaalsContact O-N 3.1Å; I452-S456 PolarHBondContact O-OG 3.07Å; A453-S456 PolarHBondContact O-N 2.91Å; A453-S456 VanDerWaalsContact O-N 3.17Å; E454-S456 PolarHBondContact O-N 3.16Å; S456-L458 PolarHBondContact O-N 3.06Å; S456-I459 WeakPolarHBondContact O-CB 3.47Å; S456-I459 WeakPolarHBondContact O-CG1 3.36Å; S456-I459 PolarHBondContact O-N 3.31Å; S456-I465 WeakPolarHBondContact O-CD1 3.41Å |
| 457 | I | 93.2 | Very high | 90 | Very high | 0 Ų | 0 | 37.1 Ų | 37.1 | 0% | 0 | 20% | 0.199 | C | C | . | . | H | α-helix | trans | -61.3 | -35.4 | 174.1 | -70.9 | 177 | 0 | 0 | 0 | 111.1 | V116 V117 L157 A453 E454 I459 G460 | V116-I457 HydrophobicContact CB-CD1 4.26Å; V116-I457 HydrophobicContact CG1-CD1 3.76Å; V117-I457 HydrophobicContact CG2-CG1 4.2Å; V117-I457 HydrophobicContact CG2-CG2 4.4Å; L157-I457 HydrophobicContact CB-CD1 3.73Å; L157-I457 HydrophobicContact CD2-CD1 3.68Å; L157-I457 HydrophobicContact CG-CD1 4.14Å; A453-I457 WeakPolarHBondContact O-CG1 3.49Å; A453-I457 PolarHBondContact O-N 3.3Å; E454-I457 PolarHBondContact O-N 2.93Å; E454-I457 VanDerWaalsContact O-N 3.13Å; I457-I459 PolarHBondContact O-N 3.2Å; I457-G460 WeakPolarHBondContact O-CA 3.43Å; I457-G460 PolarHBondContact O-N 3.45Å |
| 458 | L | 91.1 | Very high | 89.8 | Confident | 88 Ų | 88 | 36.1 Ų | 36.1 | 46% | 0.461 | 19% | 0.194 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -59.7 | -18.7 | 178.5 | -66.6 | 177.5 | 0 | 0 | 0 | 113.8 | R150 E454 S456 G460 | R150-L458 PolarHBondContact NE-O 2.88Å; R150-L458 PolarHBondContact NH2-O 3.01Å; E454-L458 WeakPolarHBondContact O-CG 3.4Å; E454-L458 PolarHBondContact O-N 3.43Å; E454-L458 VanDerWaalsContact O-N 3.15Å; S456-L458 PolarHBondContact O-N 3.06Å; L458-G460 VanDerWaalsContact C-N 3.28Å; L458-G460 PolarHBondContact O-N 2.99Å |
| 459 | I | 87.5 | Confident | 89.6 | Confident | 65 Ų | 65 | 33.3 Ų | 33.3 | 33% | 0.333 | 18% | 0.179 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -61.7 | -41.6 | 171.9 | -60.8 | 173.9 | 0 | 0 | 0 | 109.7 | R150 S456 I457 H464 I465 I468 | R150-I459 PolarHBondContact NH2-O 3.23Å; S456-I459 WeakPolarHBondContact O-CB 3.47Å; S456-I459 WeakPolarHBondContact O-CG1 3.36Å; S456-I459 PolarHBondContact O-N 3.31Å; I457-I459 PolarHBondContact O-N 3.2Å; I459-H464 HydrophobicContact CG2-CB 3.93Å; I459-I465 HydrophobicContact CB-CG1 4.16Å; I459-I465 HydrophobicContact CD1-CG1 4.3Å; I459-I465 HydrophobicContact CG2-CG1 4.3Å; I459-I468 HydrophobicContact CD1-CD1 3.76Å |
| 460 | G | 75.7 | Confident | 89.5 | Confident | 0 Ų | 0 | 33.6 Ų | 33.6 | 0% | 0 | 18% | 0.18 | C | C | . | . | trans | 85 | 3.6 | 168.9 | 0 | 0 | 0 | 0 | 0 | 116.2 | F149 I457 L458 | F149-G460 WeakPolarHBondContact CD2-O 3.31Å; I457-G460 WeakPolarHBondContact O-CA 3.43Å; I457-G460 PolarHBondContact O-N 3.45Å; L458-G460 VanDerWaalsContact C-N 3.28Å; L458-G460 PolarHBondContact O-N 2.99Å | ||
| 461 | A | 81 | Confident | 89.3 | Confident | 26 Ų | 26 | 31.7 Ų | 31.7 | 22% | 0.215 | 17% | 0.173 | C | C | . | . | trans | -138.4 | 129.3 | 178.2 | 0 | 0 | 0 | 0 | 0 | 111.7 | D463 H464 I465 | A461-D463 VanDerWaalsContact C-N 3.3Å; A461-D463 PolarHBondContact O-N 3.32Å; A461-H464 PolarHBondContact O-N 3.28Å; A461-I465 WeakPolarHBondContact O-CD1 3.37Å; A461-I465 VanDerWaalsContact O-CG1 3.3Å; A461-I465 WeakPolarHBondContact O-CG1 3.34Å; A461-I465 PolarHBondContact O-N 2.95Å | ||
| 462 | V | 84.2 | Confident | 89.1 | Confident | 6 Ų | 6 | 31 Ų | 31 | 4% | 0.036 | 16% | 0.162 | C | C | . | . | H | α-helix | trans | -61.2 | -40.1 | -178.2 | -178.3 | 0 | 0 | 0 | 0 | 111.3 | M114 V117 H464 I465 A466 | M114-V462 HydrophobicContact CG-CG1 4.08Å; V117-V462 HydrophobicContact CB-CG2 3.96Å; V117-V462 HydrophobicContact CG1-CG2 3.46Å; V117-V462 VanDerWaalsContact CG1-CG2 3.46Å; V462-H464 VanDerWaalsContact C-N 3.26Å; V462-H464 PolarHBondContact O-N 2.9Å; V462-I465 PolarHBondContact O-N 2.84Å; V462-I465 VanDerWaalsContact O-N 3.11Å; V462-A466 PolarHBondContact O-N 3.4Å |
| 463 | D | 85.2 | Confident | 89 | Confident | 14 Ų | 14 | 29.5 Ų | 29.5 | 8% | 0.075 | 15% | 0.154 | C | C | . | . | H | α-helix | trans | -71.9 | -20.6 | -173.1 | -47.6 | -69.8 | 0 | 0 | 0 | 112.8 | R39 I314 K373 A461 P467 | R39-D463 IonicContact CZ-OD1 3.5Å; R39-D463 IonicContact NE-OD1 3.03Å; R39-D463 PolarHBondContact NE-OD1 3.36Å; R39-D463 IonicContact NE-OD2 2.78Å; R39-D463 IonicContact NH2-OD1 3.93Å; R39-D463 IonicContact NH2-OD2 3.9Å; R39-D463 PolarHBondContact NH2-OD2 3.02Å; I314-D463 HydrophobicContact CD1-CB 4.45Å; K373-D463 WeakPolarHBondContact CE-OD2 3.34Å; K373-D463 IonicContact NZ-OD1 2.63Å; K373-D463 IonicContact NZ-OD2 3.94Å; K373-D463 PolarHBondContact NZ-OD2 3.48Å; A461-D463 VanDerWaalsContact C-N 3.3Å; A461-D463 PolarHBondContact O-N 3.32Å; D463-P467 WeakPolarHBondContact O-CD 3.34Å |
| 464 | H | 85.6 | Confident | 88.9 | Confident | 115 Ų | 115 | 29.5 Ų | 29.5 | 53% | 0.532 | 16% | 0.155 | S | C | . | . | H | α-helix | trans | -87.5 | -28.5 | 170.3 | -67.8 | -47.7 | 0 | 0 | 0 | 113 | I459 A461 V462 | I459-H464 HydrophobicContact CG2-CB 3.93Å; A461-H464 PolarHBondContact O-N 3.28Å; V462-H464 VanDerWaalsContact C-N 3.26Å; V462-H464 PolarHBondContact O-N 2.9Å |
| 465 | I | 88.4 | Confident | 88.8 | Confident | 0 Ų | 0 | 28.3 Ų | 28.3 | 0% | 0 | 15% | 0.149 | C | C | . | . | H | α-helix | trans | -74.7 | -38.9 | 178 | -64.4 | 165.5 | 0 | 0 | 0 | 110.6 | V110 S113 M114 V117 S456 I459 A461 V462 I468 V469 | V110-I465 HydrophobicContact CG1-CG2 4.01Å; S113-I465 WeakPolarHBondContact OG-CG2 3.35Å; M114-I465 HydrophobicContact CB-CG2 3.96Å; V117-I465 HydrophobicContact CG2-CD1 4.1Å; S456-I465 WeakPolarHBondContact O-CD1 3.41Å; I459-I465 HydrophobicContact CB-CG1 4.16Å; I459-I465 HydrophobicContact CD1-CG1 4.3Å; I459-I465 HydrophobicContact CG2-CG1 4.3Å; A461-I465 WeakPolarHBondContact O-CD1 3.37Å; A461-I465 VanDerWaalsContact O-CG1 3.3Å; A461-I465 WeakPolarHBondContact O-CG1 3.34Å; A461-I465 PolarHBondContact O-N 2.95Å; V462-I465 PolarHBondContact O-N 2.84Å; V462-I465 VanDerWaalsContact O-N 3.11Å; I465-I468 WeakPolarHBondContact O-CB 3.28Å; I465-I468 PolarHBondContact O-N 2.95Å; I465-I468 VanDerWaalsContact O-N 3.12Å; I465-V469 HydrophobicContact CG2-CG2 4.17Å; I465-V469 WeakPolarHBondContact O-CG2 3.36Å; I465-V469 PolarHBondContact O-N 2.97Å; I465-V469 VanDerWaalsContact O-N 3.15Å |
| 466 | A | 87.7 | Confident | 88.7 | Confident | 2 Ų | 2 | 22.5 Ų | 22.5 | 2% | 0.017 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.5 | -51.3 | -177 | 0 | 0 | 0 | 0 | 0 | 113.7 | M114 P317 V462 I468 V469 D470 | M114-A466 HydrophobicContact SD-CB 4.28Å; P317-A466 HydrophobicContact CG-CB 3.78Å; V462-A466 PolarHBondContact O-N 3.4Å; A466-I468 VanDerWaalsContact C-N 3.27Å; A466-I468 PolarHBondContact O-N 2.81Å; A466-V469 WeakPolarHBondContact O-CB 3.44Å; A466-V469 PolarHBondContact O-N 3.27Å; A466-V469 VanDerWaalsContact O-N 3.12Å; A466-D470 PolarHBondContact O-N 3.08Å; A466-D470 VanDerWaalsContact O-N 3.07Å |
| 467 | P | 86.1 | Confident | 88.7 | Confident | 18 Ų | 18 | 21.9 Ų | 21.9 | 12% | 0.117 | 11% | 0.114 | C | C | . | . | H | α-helix | trans | -58.8 | -34.9 | 176.9 | -26.4 | 34.5 | 0 | 0 | 0 | 113.7 | A313 D463 D470 F471 | A313-P467 HydrophobicContact CB-CB 4.47Å; A313-P467 HydrophobicContact CB-CG 4.33Å; D463-P467 WeakPolarHBondContact O-CD 3.34Å; P467-D470 WeakPolarHBondContact O-CB 3.47Å; P467-D470 PolarHBondContact O-N 3.04Å; P467-F471 HydrophobicContact CB-CE2 4.46Å; P467-F471 WeakPolarHBondContact O-CD2 3.49Å; P467-F471 WeakPolarHBondContact O-CE2 3.36Å; P467-F471 PolarHBondContact O-N 3.15Å; P467-F471 VanDerWaalsContact O-N 3.16Å |
| 468 | I | 88.3 | Confident | 88.7 | Confident | 64 Ų | 64 | 22 Ų | 22 | 33% | 0.328 | 12% | 0.115 | S | C | . | . | H | α-helix | trans | -65.4 | -43.5 | 178.4 | -60.3 | 172.8 | 0 | 0 | 0 | 110.4 | V110 I459 I465 A466 D470 F471 F472 | V110-I468 HydrophobicContact CG1-CG2 4.21Å; I459-I468 HydrophobicContact CD1-CD1 3.76Å; I465-I468 WeakPolarHBondContact O-CB 3.28Å; I465-I468 PolarHBondContact O-N 2.95Å; I465-I468 VanDerWaalsContact O-N 3.12Å; A466-I468 VanDerWaalsContact C-N 3.27Å; A466-I468 PolarHBondContact O-N 2.81Å; I468-D470 VanDerWaalsContact C-N 3.26Å; I468-D470 PolarHBondContact O-N 3.19Å; I468-F471 PolarHBondContact O-N 3.44Å; I468-F472 HydrophobicContact CG2-CD2 4.38Å; I468-F472 HydrophobicContact CG2-CE2 3.88Å; I468-F472 VanDerWaalsContact O-CD2 3.24Å; I468-F472 WeakPolarHBondContact O-CD2 3.39Å |
| 469 | V | 91 | Very high | 88.8 | Confident | 0 Ų | 0 | 18.9 Ų | 18.9 | 0% | 0 | 10% | 0.098 | C | C | . | . | H | α-helix | trans | -59.6 | -41.3 | 175.9 | 174.7 | 0 | 0 | 0 | 0 | 110.5 | V110 A111 I465 A466 F472 F473 | V110-V469 HydrophobicContact CB-CG2 3.94Å; V110-V469 HydrophobicContact CG1-CG2 3.42Å; V110-V469 VanDerWaalsContact CG1-CG2 3.42Å; A111-V469 HydrophobicContact CB-CG1 4.04Å; A111-V469 HydrophobicContact CB-CG2 4.5Å; I465-V469 HydrophobicContact CG2-CG2 4.17Å; I465-V469 WeakPolarHBondContact O-CG2 3.36Å; I465-V469 PolarHBondContact O-N 2.97Å; I465-V469 VanDerWaalsContact O-N 3.15Å; A466-V469 WeakPolarHBondContact O-CB 3.44Å; A466-V469 PolarHBondContact O-N 3.27Å; A466-V469 VanDerWaalsContact O-N 3.12Å; V469-F472 PolarHBondContact O-N 3.36Å; V469-F473 HydrophobicContact CG1-CD2 3.47Å; V469-F473 VanDerWaalsContact CG1-CD2 3.47Å; V469-F473 HydrophobicContact CG1-CE2 3.32Å; V469-F473 WeakPolarHBondContact O-CD2 3.37Å; V469-F473 PolarHBondContact O-N 3.01Å; V469-F473 VanDerWaalsContact O-N 3.1Å |
| 470 | D | 91.2 | Very high | 89 | Confident | 5 Ų | 5 | 15.8 Ų | 15.8 | 3% | 0.027 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -63.3 | -43.9 | -179.5 | -69.4 | -12.1 | 0 | 0 | 0 | 113.5 | A313 F316 P317 A466 P467 I468 F472 F473 L474 | A313-D470 WeakPolarHBondContact CA-OD2 3.48Å; F316-D470 WeakPolarHBondContact CB-OD2 3.23Å; F316-D470 HydrophobicContact CD1-CB 4.07Å; F316-D470 WeakPolarHBondContact CD1-OD1 3.28Å; P317-D470 WeakPolarHBondContact CD-OD1 3.34Å; P317-D470 WeakPolarHBondContact CG-OD1 3.42Å; A466-D470 PolarHBondContact O-N 3.08Å; A466-D470 VanDerWaalsContact O-N 3.07Å; P467-D470 WeakPolarHBondContact O-CB 3.47Å; P467-D470 PolarHBondContact O-N 3.04Å; I468-D470 VanDerWaalsContact C-N 3.26Å; I468-D470 PolarHBondContact O-N 3.19Å; D470-F472 PolarHBondContact O-N 3.33Å; D470-F473 PolarHBondContact O-N 3.32Å; D470-L474 HydrophobicContact CB-CD1 4.2Å; D470-L474 WeakPolarHBondContact O-CB 3.4Å; D470-L474 WeakPolarHBondContact O-CG 3.47Å; D470-L474 PolarHBondContact O-N 3.43Å |
| 471 | F | 91.5 | Very high | 89.9 | Confident | 10 Ų | 10 | 15.8 Ų | 15.8 | 4% | 0.044 | 8% | 0.082 | C | C | . | . | H | α-helix | trans | -56.6 | -41 | 178.7 | -75.3 | -68.3 | 0 | 0 | 0 | 111.6 | P467 I468 M475 M518 T521 H522 Y525 A526 V529 | P467-F471 HydrophobicContact CB-CE2 4.46Å; P467-F471 WeakPolarHBondContact O-CD2 3.49Å; P467-F471 WeakPolarHBondContact O-CE2 3.36Å; P467-F471 PolarHBondContact O-N 3.15Å; P467-F471 VanDerWaalsContact O-N 3.16Å; I468-F471 PolarHBondContact O-N 3.44Å; F471-M475 WeakPolarHBondContact O-CB 3.3Å; F471-M475 PolarHBondContact O-N 3.44Å; F471-M518 HydrophobicContact CD1-CG 3.64Å; F471-M518 HydrophobicContact CE1-CG 3.89Å; F471-M518 WeakPolarHBondContact CE1-O 3.3Å; F471-T521 HydrophobicContact CZ-CG2 4.17Å; F471-H522 HydrophobicContact CE2-CB 4.49Å; F471-H522 HydrophobicContact CZ-CB 3.83Å; F471-Y525 AromaticContact CE2-CD2 3.91Å; F471-Y525 HydrophobicContact CE2-CD2 3.91Å; F471-Y525 HydrophobicContact CE2-CG 4.32Å; F471-Y525 HydrophobicContact CZ-CD2 4.31Å; F471-A526 HydrophobicContact CE1-CB 4.16Å; F471-V529 HydrophobicContact CB-CG2 4.17Å |
| 472 | F | 91.6 | Very high | 90.5 | Very high | 29 Ų | 29 | 18 Ų | 18 | 13% | 0.127 | 9% | 0.089 | C | C | . | . | H | α-helix | trans | -70.8 | -42 | 177.9 | -65.7 | -61.3 | 0 | 0 | 0 | 112.6 | L103 L106 A107 V110 I468 V469 D470 C476 | L103-F472 HydrophobicContact CD2-CD1 4.22Å; L106-F472 HydrophobicContact CB-CD1 4.25Å; L106-F472 HydrophobicContact CB-CE1 4.3Å; L106-F472 HydrophobicContact CB-CG 4.39Å; L106-F472 HydrophobicContact CB-CZ 4.47Å; L106-F472 HydrophobicContact CD1-CD1 4.49Å; L106-F472 HydrophobicContact CD1-CE1 4Å; L106-F472 HydrophobicContact CD1-CZ 4.45Å; A107-F472 HydrophobicContact CB-CB 3.64Å; V110-F472 HydrophobicContact CG2-CE2 4.35Å; I468-F472 HydrophobicContact CG2-CD2 4.38Å; I468-F472 HydrophobicContact CG2-CE2 3.88Å; I468-F472 VanDerWaalsContact O-CD2 3.24Å; I468-F472 WeakPolarHBondContact O-CD2 3.39Å; V469-F472 PolarHBondContact O-N 3.36Å; D470-F472 PolarHBondContact O-N 3.33Å; F472-C476 WeakPolarHBondContact O-CB 3.32Å; F472-C476 PolarHBondContact O-N 3.26Å; F472-C476 VanDerWaalsContact O-N 3.07Å |
| 473 | F | 92.3 | Very high | 90.9 | Very high | 1 Ų | 1 | 17.7 Ų | 17.7 | 0% | 0.004 | 9% | 0.088 | C | C | . | . | H | α-helix | trans | -70 | -44.5 | 177.3 | -77.2 | -52.9 | 0 | 0 | 0 | 113 | F104 A107 A111 F316 T320 V469 D470 M475 C476 Y477 | F104-F473 HydrophobicContact CD2-CD1 4.06Å; F104-F473 AromaticContact CD2-CE1 3.66Å; F104-F473 HydrophobicContact CD2-CE1 3.66Å; F104-F473 HydrophobicContact CE2-CD1 4.11Å; F104-F473 AromaticContact CE2-CE1 3.48Å; F104-F473 HydrophobicContact CE2-CE1 3.48Å; F104-F473 VanDerWaalsContact CE2-CE1 3.48Å; A107-F473 HydrophobicContact CB-CD1 3.6Å; A107-F473 HydrophobicContact CB-CD2 4.18Å; A107-F473 HydrophobicContact CB-CE1 3.39Å; A107-F473 HydrophobicContact CB-CE2 4.08Å; A107-F473 HydrophobicContact CB-CG 3.97Å; A107-F473 HydrophobicContact CB-CZ 3.68Å; A111-F473 HydrophobicContact CB-CE2 4.28Å; A111-F473 HydrophobicContact CB-CZ 4.44Å; F316-F473 HydrophobicContact CE1-CB 4.28Å; T320-F473 HydrophobicContact CG2-CB 4.02Å; T320-F473 HydrophobicContact CG2-CD2 3.56Å; T320-F473 HydrophobicContact CG2-CE2 4.17Å; T320-F473 HydrophobicContact CG2-CG 3.89Å; V469-F473 HydrophobicContact CG1-CD2 3.47Å; V469-F473 VanDerWaalsContact CG1-CD2 3.47Å; V469-F473 HydrophobicContact CG1-CE2 3.32Å; V469-F473 WeakPolarHBondContact O-CD2 3.37Å; V469-F473 PolarHBondContact O-N 3.01Å; V469-F473 VanDerWaalsContact O-N 3.1Å; D470-F473 PolarHBondContact O-N 3.32Å; F473-M475 VanDerWaalsContact C-N 3.35Å; F473-M475 PolarHBondContact O-N 3.3Å; F473-C476 WeakPolarHBondContact O-CB 3.38Å; F473-C476 PolarHBondContact O-N 2.92Å; F473-Y477 HydrophobicContact CB-CE2 4.08Å; F473-Y477 WeakPolarHBondContact O-CD2 3.35Å; F473-Y477 PolarHBondContact O-N 2.96Å |
| 474 | L | 93.4 | Very high | 91.2 | Very high | 1 Ų | 1 | 17 Ų | 17 | 1% | 0.005 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -60.5 | -43.7 | 176.2 | -75.9 | 166.5 | 0 | 0 | 0 | 111.3 | V62 F316 D470 C476 Y477 C478 A514 I517 M518 | V62-L474 HydrophobicContact CG1-CD2 4.47Å; F316-L474 HydrophobicContact CD1-CD2 4.42Å; F316-L474 HydrophobicContact CD1-CG 4.15Å; F316-L474 HydrophobicContact CD2-CD2 4.25Å; F316-L474 HydrophobicContact CE1-CD1 4.42Å; F316-L474 HydrophobicContact CE1-CD2 3.73Å; F316-L474 HydrophobicContact CE1-CG 3.61Å; F316-L474 HydrophobicContact CE2-CD2 3.54Å; F316-L474 HydrophobicContact CE2-CG 4.3Å; F316-L474 HydrophobicContact CZ-CD2 3.24Å; F316-L474 HydrophobicContact CZ-CG 3.7Å; D470-L474 HydrophobicContact CB-CD1 4.2Å; D470-L474 WeakPolarHBondContact O-CB 3.4Å; D470-L474 WeakPolarHBondContact O-CG 3.47Å; D470-L474 PolarHBondContact O-N 3.43Å; L474-C476 VanDerWaalsContact C-N 3.33Å; L474-C476 PolarHBondContact O-N 3.11Å; L474-Y477 PolarHBondContact O-N 3.04Å; L474-C478 WeakPolarHBondContact O-CB 3.49Å; L474-C478 PolarHBondContact O-N 3.45Å; L474-A514 HydrophobicContact CD2-CB 4.2Å; L474-I517 HydrophobicContact CD1-CB 4.42Å; L474-I517 HydrophobicContact CD1-CG2 3.65Å; L474-I517 HydrophobicContact CD2-CB 4.31Å; L474-I517 HydrophobicContact CD2-CG2 4.1Å; L474-M518 HydrophobicContact CD1-CB 4.33Å |
| 475 | M | 92.9 | Very high | 91.7 | Very high | 15 Ų | 15 | 12 Ų | 12 | 7% | 0.074 | 6% | 0.062 | C | C | . | . | H | α-helix | trans | -63.9 | -41 | 176.5 | -172.4 | 60.4 | -146.9 | 0 | 0 | 111.3 | L103 F471 F473 F479 M518 V529 I530 C533 | L103-M475 HydrophobicContact CD1-CG 4.09Å; F471-M475 WeakPolarHBondContact O-CB 3.3Å; F471-M475 PolarHBondContact O-N 3.44Å; F473-M475 VanDerWaalsContact C-N 3.35Å; F473-M475 PolarHBondContact O-N 3.3Å; M475-F479 HydrophobicContact CE-CB 4.41Å; M475-F479 WeakPolarHBondContact O-CB 3.34Å; M475-F479 PolarHBondContact O-N 3.21Å; M475-M518 HydrophobicContact CB-SD 4.4Å; M475-M518 HydrophobicContact SD-CE 4.4Å; M475-M518 HydrophobicContact SD-SD 4.37Å; M475-V529 HydrophobicContact CB-CG1 3.91Å; M475-V529 HydrophobicContact CG-CG1 3.99Å; M475-I530 HydrophobicContact SD-CG1 4.15Å; M475-C533 HydrophobicContact CE-CB 4.06Å; M475-C533 HydrophobicContact CG-CB 4.35Å |
| 476 | C | 91.8 | Very high | 91.8 | Very high | 0 Ų | 0 | 15.5 Ų | 15.5 | 0% | 0 | 8% | 0.08 | C | C | . | . | H | α-helix | trans | -60.4 | -47.9 | 174.7 | -177.2 | 0 | 0 | 0 | 0 | 112 | F472 F473 L474 F479 I480 | F472-C476 WeakPolarHBondContact O-CB 3.32Å; F472-C476 PolarHBondContact O-N 3.26Å; F472-C476 VanDerWaalsContact O-N 3.07Å; F473-C476 WeakPolarHBondContact O-CB 3.38Å; F473-C476 PolarHBondContact O-N 2.92Å; L474-C476 VanDerWaalsContact C-N 3.33Å; L474-C476 PolarHBondContact O-N 3.11Å; C476-F479 PolarHBondContact O-N 3.24Å; C476-I480 WeakPolarHBondContact O-CG1 3.48Å; C476-I480 PolarHBondContact O-N 3.31Å |
| 477 | Y | 93.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 16.5 Ų | 16.5 | 0% | 0 | 8% | 0.084 | C | C | . | . | H | α-helix | trans | -67.2 | -41.2 | 179.8 | -61.7 | -22.7 | 0 | 0 | 0 | 112.3 | V62 T63 T66 F316 T320 I322 M323 F473 L474 F479 I480 N481 | V62-Y477 HydrophobicContact CG1-CD2 4.42Å; T63-Y477 HydrophobicContact CG2-CE2 4.13Å; T66-Y477 HydrophobicContact CG2-CD1 3.71Å; T66-Y477 HydrophobicContact CG2-CG 3.95Å; F316-Y477 HydrophobicContact CE1-CD2 4.5Å; F316-Y477 HydrophobicContact CE1-CE2 4.23Å; F316-Y477 AromaticContact CZ-CD2 4Å; F316-Y477 HydrophobicContact CZ-CD2 4Å; F316-Y477 AromaticContact CZ-CE2 3.99Å; F316-Y477 HydrophobicContact CZ-CE2 3.99Å; T320-Y477 HydrophobicContact CG2-CE2 4.46Å; I322-Y477 HydrophobicContact CD1-CD1 4.49Å; I322-Y477 HydrophobicContact CD1-CE1 4.01Å; I322-Y477 HydrophobicContact CG1-CE1 4.03Å; M323-Y477 HydrophobicContact CE-CE1 4.21Å; F473-Y477 HydrophobicContact CB-CE2 4.08Å; F473-Y477 WeakPolarHBondContact O-CD2 3.35Å; F473-Y477 PolarHBondContact O-N 2.96Å; L474-Y477 PolarHBondContact O-N 3.04Å; Y477-F479 VanDerWaalsContact C-N 3.3Å; Y477-F479 PolarHBondContact O-N 3Å; Y477-I480 PolarHBondContact O-N 2.83Å; Y477-N481 WeakPolarHBondContact O-CB 3.32Å; Y477-N481 VanDerWaalsContact O-CG 3.29Å; Y477-N481 PolarHBondContact O-N 3.48Å; Y477-N481 PolarHBondContact O-ND2 2.9Å; Y477-N481 VanDerWaalsContact O-ND2 3.11Å |
| 478 | C | 93.9 | Very high | 92.1 | Very high | 4 Ų | 4 | 17.5 Ų | 17.5 | 3% | 0.027 | 9% | 0.09 | C | C | . | . | H | α-helix | trans | -56.6 | -46.8 | 172.5 | -177 | 0 | 0 | 0 | 0 | 110.5 | L474 N481 I482 A514 | L474-C478 WeakPolarHBondContact O-CB 3.49Å; L474-C478 PolarHBondContact O-N 3.45Å; C478-N481 PolarHBondContact O-N 3.5Å; C478-I482 WeakPolarHBondContact O-CG1 3.26Å; C478-I482 PolarHBondContact O-N 3.47Å; C478-A514 HydrophobicContact CB-CB 4.04Å |
| 479 | F | 91.7 | Very high | 92.2 | Very high | 22 Ų | 22 | 19.5 Ų | 19.5 | 10% | 0.096 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -69.1 | -43 | -177.6 | -157.6 | -145.2 | 0 | 0 | 0 | 112.9 | F96 A99 I100 M475 C476 Y477 N481 I482 V483 | F96-F479 AromaticContact CD1-CE1 3.79Å; F96-F479 HydrophobicContact CD1-CE1 3.79Å; F96-F479 AromaticContact CD1-CE2 3.96Å; F96-F479 HydrophobicContact CD1-CE2 3.96Å; F96-F479 AromaticContact CD1-CZ 3.33Å; F96-F479 HydrophobicContact CD1-CZ 3.33Å; F96-F479 AromaticContact CE1-CE2 3.93Å; F96-F479 HydrophobicContact CE1-CE2 3.93Å; F96-F479 AromaticContact CE1-CZ 3.62Å; F96-F479 HydrophobicContact CE1-CZ 3.62Å; A99-F479 HydrophobicContact CB-CE1 3.94Å; I100-F479 HydrophobicContact CD1-CD1 4.03Å; I100-F479 HydrophobicContact CG1-CD1 3.49Å; I100-F479 VanDerWaalsContact CG1-CD1 3.49Å; I100-F479 HydrophobicContact CG1-CE1 4.14Å; I100-F479 HydrophobicContact CG1-CG 4.41Å; M475-F479 HydrophobicContact CE-CB 4.41Å; M475-F479 WeakPolarHBondContact O-CB 3.34Å; M475-F479 PolarHBondContact O-N 3.21Å; C476-F479 PolarHBondContact O-N 3.24Å; Y477-F479 VanDerWaalsContact C-N 3.3Å; Y477-F479 PolarHBondContact O-N 3Å; F479-N481 VanDerWaalsContact C-N 3.27Å; F479-N481 PolarHBondContact O-N 3.1Å; F479-I482 PolarHBondContact O-N 3.4Å; F479-V483 HydrophobicContact CD2-CG2 4.23Å; F479-V483 HydrophobicContact CE2-CG2 4.22Å; F479-V483 VanDerWaalsContact O-CG2 3.29Å; F479-V483 WeakPolarHBondContact O-CG2 3.42Å; F479-V483 PolarHBondContact O-N 3.35Å |
| 480 | I | 92.3 | Very high | 91.9 | Very high | 0 Ų | 0 | 23 Ų | 23 | 0% | 0 | 12% | 0.119 | C | C | . | . | H | α-helix | trans | -54.3 | -47.2 | 173.2 | -73.3 | 168.8 | 0 | 0 | 0 | 110.8 | T66 I73 I100 M323 C476 Y477 C484 | T66-I480 HydrophobicContact CG2-CG2 4.33Å; I73-I480 HydrophobicContact CD1-CG2 3.92Å; I100-I480 HydrophobicContact CD1-CG1 3.95Å; I100-I480 HydrophobicContact CG2-CD1 4.41Å; I100-I480 HydrophobicContact CG2-CG1 4.37Å; M323-I480 HydrophobicContact CE-CD1 4.32Å; M323-I480 HydrophobicContact SD-CD1 3.54Å; M323-I480 VanDerWaalsContact SD-CD1 3.54Å; C476-I480 WeakPolarHBondContact O-CG1 3.48Å; C476-I480 PolarHBondContact O-N 3.31Å; Y477-I480 PolarHBondContact O-N 2.83Å; I480-C484 PolarHBondContact O-N 3.08Å; I480-C484 VanDerWaalsContact O-N 3.15Å; I480-C484 PolarHBondContact O-SG 2.97Å |
| 481 | N | 94.9 | Very high | 91.5 | Very high | 0 Ų | 0 | 31.4 Ų | 31.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -65.7 | -44.2 | -180 | -76.5 | -28.9 | 0 | 0 | 0 | 112.1 | T66 S69 Y477 C478 F479 C484 T485 S507 A511 | T66-N481 PolarHBondContact OG1-ND2 3.17Å; S69-N481 VanDerWaalsContact CB-OD1 3.26Å; S69-N481 WeakPolarHBondContact CB-OD1 3.33Å; S69-N481 PolarHBondContact OG-OD1 2.86Å; Y477-N481 WeakPolarHBondContact O-CB 3.32Å; Y477-N481 VanDerWaalsContact O-CG 3.29Å; Y477-N481 PolarHBondContact O-N 3.48Å; Y477-N481 PolarHBondContact O-ND2 2.9Å; Y477-N481 VanDerWaalsContact O-ND2 3.11Å; C478-N481 PolarHBondContact O-N 3.5Å; F479-N481 VanDerWaalsContact C-N 3.27Å; F479-N481 PolarHBondContact O-N 3.1Å; N481-C484 PolarHBondContact O-N 2.88Å; N481-T485 WeakPolarHBondContact O-CG2 3.43Å; N481-T485 PolarHBondContact O-N 3.47Å; N481-T485 VanDerWaalsContact O-N 3.11Å; N481-S507 WeakPolarHBondContact CB-O 3.47Å; N481-A511 HydrophobicContact CB-CB 3.76Å |
| 482 | I | 93.9 | Very high | 90.9 | Very high | 71 Ų | 71 | 31.7 Ų | 31.7 | 36% | 0.364 | 16% | 0.159 | S | C | . | . | H | α-helix | trans | -62.1 | -44.6 | 176.7 | -71.6 | 170.9 | 0 | 0 | 0 | 111.4 | C478 F479 C484 T485 L486 A511 | C478-I482 WeakPolarHBondContact O-CG1 3.26Å; C478-I482 PolarHBondContact O-N 3.47Å; F479-I482 PolarHBondContact O-N 3.4Å; I482-C484 VanDerWaalsContact C-N 3.35Å; I482-C484 PolarHBondContact O-N 3.37Å; I482-T485 PolarHBondContact O-N 3.31Å; I482-T485 PolarHBondContact O-OG1 2.72Å; I482-L486 WeakPolarHBondContact O-CB 3.27Å; I482-L486 PolarHBondContact O-N 3.46Å; I482-A511 HydrophobicContact CG1-CB 3.79Å |
| 483 | V | 91.7 | Very high | 90.1 | Very high | 1 Ų | 1 | 33.9 Ų | 33.9 | 1% | 0.006 | 18% | 0.177 | C | C | . | . | H | α-helix | trans | -67.7 | -38.7 | -177.4 | -173.3 | 0 | 0 | 0 | 0 | 110.9 | L92 F96 F479 T485 L486 Q487 | L92-V483 HydrophobicContact CB-CG1 3.96Å; L92-V483 HydrophobicContact CD1-CG1 4.35Å; L92-V483 HydrophobicContact CD2-CB 4.05Å; L92-V483 HydrophobicContact CD2-CG1 3.42Å; L92-V483 VanDerWaalsContact CD2-CG1 3.42Å; L92-V483 HydrophobicContact CG-CG1 4.08Å; F96-V483 HydrophobicContact CB-CG2 4.37Å; F96-V483 HydrophobicContact CD1-CG1 4.38Å; F96-V483 HydrophobicContact CD1-CG2 3.43Å; F96-V483 VanDerWaalsContact CD1-CG2 3.43Å; F96-V483 HydrophobicContact CD2-CG1 3.8Å; F96-V483 HydrophobicContact CD2-CG2 4.31Å; F96-V483 HydrophobicContact CE1-CG2 3.71Å; F96-V483 HydrophobicContact CE2-CG1 4.09Å; F96-V483 HydrophobicContact CG-CG1 3.99Å; F96-V483 HydrophobicContact CG-CG2 3.79Å; F96-V483 HydrophobicContact CZ-CG2 4.29Å; F479-V483 HydrophobicContact CD2-CG2 4.23Å; F479-V483 HydrophobicContact CE2-CG2 4.22Å; F479-V483 VanDerWaalsContact O-CG2 3.29Å; F479-V483 WeakPolarHBondContact O-CG2 3.42Å; F479-V483 PolarHBondContact O-N 3.35Å; V483-T485 VanDerWaalsContact C-N 3.34Å; V483-T485 PolarHBondContact O-N 2.94Å; V483-L486 PolarHBondContact O-N 3.26Å; V483-Q487 HydrophobicContact CG1-CG 4.17Å; V483-Q487 WeakPolarHBondContact O-CG 3.37Å; V483-Q487 PolarHBondContact O-N 2.98Å |
| 484 | C | 92.8 | Very high | 89.6 | Confident | 0 Ų | 0 | 40.4 Ų | 40.4 | 0% | 0 | 21% | 0.211 | C | C | . | . | H | α-helix | trans | -61.9 | -40.1 | 175.1 | -67.4 | 0 | 0 | 0 | 0 | 112.2 | I480 N481 I482 T488 W495 Y502 | I480-C484 PolarHBondContact O-N 3.08Å; I480-C484 VanDerWaalsContact O-N 3.15Å; I480-C484 PolarHBondContact O-SG 2.97Å; N481-C484 PolarHBondContact O-N 2.88Å; I482-C484 VanDerWaalsContact C-N 3.35Å; I482-C484 PolarHBondContact O-N 3.37Å; C484-T488 PolarHBondContact O-N 2.98Å; C484-T488 PolarHBondContact O-OG1 3.46Å; C484-W495 HydrophobicContact CB-CH2 4.45Å; C484-W495 HydrophobicContact CB-CZ2 4.2Å; C484-Y502 HydrophobicContact CB-CE2 4.41Å; C484-Y502 PolarHBondContact O-OH 2.95Å |
| 485 | T | 94.8 | Very high | 89.2 | Confident | 10 Ų | 10 | 41.2 Ų | 41.2 | 6% | 0.061 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -65.4 | -47 | 175.1 | 60 | 0 | 0 | 0 | 0 | 111.3 | N481 I482 V483 Q487 T488 L489 W504 L508 | N481-T485 WeakPolarHBondContact O-CG2 3.43Å; N481-T485 PolarHBondContact O-N 3.47Å; N481-T485 VanDerWaalsContact O-N 3.11Å; I482-T485 PolarHBondContact O-N 3.31Å; I482-T485 PolarHBondContact O-OG1 2.72Å; V483-T485 VanDerWaalsContact C-N 3.34Å; V483-T485 PolarHBondContact O-N 2.94Å; T485-Q487 PolarHBondContact O-N 2.91Å; T485-T488 PolarHBondContact O-N 2.98Å; T485-L489 WeakPolarHBondContact O-CB 3.36Å; T485-L489 WeakPolarHBondContact O-CG 3.39Å; T485-L489 PolarHBondContact O-N 3.26Å; T485-W504 WeakPolarHBondContact CG2-O 3.4Å; T485-L508 HydrophobicContact CG2-CB 3.76Å; T485-L508 HydrophobicContact CG2-CD1 4.42Å; T485-L508 VanDerWaalsContact CG2-N 3.3Å |
| 486 | L | 91.2 | Very high | 89 | Confident | 72 Ų | 72 | 49.6 Ų | 49.6 | 38% | 0.377 | 25% | 0.245 | S | C | . | . | H | α-helix | trans | -60.9 | -46.1 | -178.3 | -174.7 | 66.7 | 0 | 0 | 0 | 112 | I482 V483 T488 L489 L490 | I482-L486 WeakPolarHBondContact O-CB 3.27Å; I482-L486 PolarHBondContact O-N 3.46Å; V483-L486 PolarHBondContact O-N 3.26Å; L486-T488 VanDerWaalsContact C-N 3.33Å; L486-T488 PolarHBondContact O-N 3.06Å; L486-L489 PolarHBondContact O-N 3.37Å; L486-L490 HydrophobicContact CD1-CD1 3.7Å; L486-L490 HydrophobicContact CD1-CG 3.98Å; L486-L490 HydrophobicContact CD2-CD1 4.4Å; L486-L490 HydrophobicContact CG-CD1 3.75Å; L486-L490 HydrophobicContact CG-CG 4.28Å; L486-L490 VanDerWaalsContact O-CB 3.31Å; L486-L490 WeakPolarHBondContact O-CB 3.39Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.48Å; L486-L490 PolarHBondContact O-N 2.9Å |
| 487 | Q | 89.6 | Confident | 88.8 | Confident | 23 Ų | 23 | 51.2 Ų | 51.2 | 11% | 0.107 | 26% | 0.256 | C | S | . | . | H | α-helix | trans | -65.5 | -36.7 | -179.5 | -71.8 | -162.3 | -14.6 | 0 | 0 | 112.9 | N91 L92 V483 T485 K491 A492 W495 | N91-Q487 PolarHBondContact O-NE2 3.45Å; L92-Q487 PolarHBondContact O-NE2 2.89Å; V483-Q487 HydrophobicContact CG1-CG 4.17Å; V483-Q487 WeakPolarHBondContact O-CG 3.37Å; V483-Q487 PolarHBondContact O-N 2.98Å; T485-Q487 PolarHBondContact O-N 2.91Å; Q487-K491 PolarHBondContact O-N 3.37Å; Q487-A492 HydrophobicContact CB-CB 4.35Å; Q487-A492 PolarHBondContact O-N 3.31Å; Q487-A492 VanDerWaalsContact O-N 3.1Å; Q487-W495 HydrophobicContact CB-CB 4.12Å; Q487-W495 HydrophobicContact CB-CD2 3.94Å; Q487-W495 HydrophobicContact CB-CG 3.72Å |
| 488 | T | 90.8 | Very high | 88.6 | Confident | 40 Ų | 40 | 59.5 Ų | 59.5 | 25% | 0.245 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -68.4 | -44.1 | 175.3 | -54.9 | 0 | 0 | 0 | 0 | 111.4 | C484 T485 L486 K491 W495 Y502 W504 | C484-T488 PolarHBondContact O-N 2.98Å; C484-T488 PolarHBondContact O-OG1 3.46Å; T485-T488 PolarHBondContact O-N 2.98Å; L486-T488 VanDerWaalsContact C-N 3.33Å; L486-T488 PolarHBondContact O-N 3.06Å; T488-K491 PolarHBondContact O-N 3.26Å; T488-W495 PolarHBondContact OG1-NE1 3.11Å; T488-Y502 PolarHBondContact OG1-OH 3.31Å; T488-W504 HydrophobicContact CG2-CB 3.99Å |
| 489 | L | 90 | Very high | 88.4 | Confident | 106 Ų | 106 | 61.1 Ų | 61.1 | 56% | 0.555 | 29% | 0.294 | S | S | * | . | H | α-helix | trans | -67.9 | -40 | 179.6 | -72.3 | 171.1 | 0 | 0 | 0 | 112.7 | T485 L486 K491 W504 | T485-L489 WeakPolarHBondContact O-CB 3.36Å; T485-L489 WeakPolarHBondContact O-CG 3.39Å; T485-L489 PolarHBondContact O-N 3.26Å; L486-L489 PolarHBondContact O-N 3.37Å; L489-K491 PolarHBondContact O-N 3.46Å; L489-W504 HydrophobicContact CD2-CD2 4.39Å; L489-W504 HydrophobicContact CD2-CE3 4.43Å |
| 490 | L | 85.4 | Confident | 88.3 | Confident | 73 Ų | 73 | 70.8 Ų | 70.8 | 38% | 0.382 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -77.2 | -7.3 | 178.2 | -67.3 | -178.9 | 0 | 0 | 0 | 113.5 | L486 A492 | L486-L490 HydrophobicContact CD1-CD1 3.7Å; L486-L490 HydrophobicContact CD1-CG 3.98Å; L486-L490 HydrophobicContact CD2-CD1 4.4Å; L486-L490 HydrophobicContact CG-CD1 3.75Å; L486-L490 HydrophobicContact CG-CG 4.28Å; L486-L490 VanDerWaalsContact O-CB 3.31Å; L486-L490 WeakPolarHBondContact O-CB 3.39Å; L486-L490 VanDerWaalsContact O-CG 3.31Å; L486-L490 WeakPolarHBondContact O-CG 3.48Å; L486-L490 PolarHBondContact O-N 2.9Å; L490-A492 VanDerWaalsContact C-N 3.32Å; L490-A492 PolarHBondContact O-N 2.59Å |
| 491 | K | 83 | Confident | 88.3 | Confident | 182 Ų | 182 | 77.4 Ų | 77.4 | 79% | 0.791 | 36% | 0.359 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 50.1 | 52.1 | -173.2 | -60.8 | -177.9 | 179.2 | -179.6 | 0 | 111.2 | Q487 T488 L489 | Q487-K491 PolarHBondContact O-N 3.37Å; T488-K491 PolarHBondContact O-N 3.26Å; L489-K491 PolarHBondContact O-N 3.46Å |
| 492 | A | 78.4 | Confident | 88.2 | Confident | 15 Ų | 15 | 78.8 Ų | 78.8 | 12% | 0.124 | 36% | 0.364 | C | S | . | . | trans | -56.3 | 134.5 | -179.9 | 0 | 0 | 0 | 0 | 0 | 110.1 | Q487 L490 N494 W495 | Q487-A492 HydrophobicContact CB-CB 4.35Å; Q487-A492 PolarHBondContact O-N 3.31Å; Q487-A492 VanDerWaalsContact O-N 3.1Å; L490-A492 VanDerWaalsContact C-N 3.32Å; L490-A492 PolarHBondContact O-N 2.59Å; A492-N494 PolarHBondContact O-N 2.85Å; A492-N494 VanDerWaalsContact O-N 3.12Å; A492-W495 HydrophobicContact CB-CB 3.99Å; A492-W495 PolarHBondContact O-N 3.32Å | ||
| 493 | P | 74.8 | Confident | 88.2 | Confident | 75 Ų | 75 | 79.7 Ų | 79.7 | 49% | 0.487 | 37% | 0.367 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -59.9 | -32.6 | -168.2 | 21 | -33.1 | 0 | 0 | 0 | 113.6 | R496 | P493-R496 PolarHBondContact O-NE 3.46Š|
| 494 | N | 80.9 | Confident | 88.4 | Confident | 138 Ų | 138 | 84.2 Ų | 84.2 | 74% | 0.738 | 38% | 0.384 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.7 | -4.3 | -178.2 | -62 | -13.4 | 0 | 0 | 0 | 113.7 | N76 A492 | N76-N494 PolarHBondContact ND2-O 3.28Å; N76-N494 VanDerWaalsContact ND2-O 3.16Å; N76-N494 PolarHBondContact OD1-O 3.4Å; A492-N494 PolarHBondContact O-N 2.85Å; A492-N494 VanDerWaalsContact O-N 3.12Å |
| 495 | W | 84.8 | Confident | 88.5 | Confident | 19 Ų | 19 | 86.1 Ų | 86.1 | 7% | 0.072 | 40% | 0.397 | C | S | . | . | trans | -96.5 | 103.3 | -177.2 | -176.8 | -106.6 | 0 | 0 | 0 | 110.6 | A72 I73 N76 L92 C484 Q487 T488 A492 P497 | A72-W495 HydrophobicContact CB-CZ2 4.47Å; I73-W495 HydrophobicContact CG1-CH2 3.86Å; I73-W495 HydrophobicContact CG1-CZ3 4.2Å; N76-W495 HydrophobicContact CB-CE3 4.29Å; N76-W495 HydrophobicContact CB-CZ3 4.2Å; L92-W495 HydrophobicContact CD2-CH2 4.3Å; L92-W495 HydrophobicContact CD2-CZ3 3.96Å; C484-W495 HydrophobicContact CB-CH2 4.45Å; C484-W495 HydrophobicContact CB-CZ2 4.2Å; Q487-W495 HydrophobicContact CB-CB 4.12Å; Q487-W495 HydrophobicContact CB-CD2 3.94Å; Q487-W495 HydrophobicContact CB-CG 3.72Å; T488-W495 PolarHBondContact OG1-NE1 3.11Å; A492-W495 HydrophobicContact CB-CB 3.99Å; A492-W495 PolarHBondContact O-N 3.32Å; W495-P497 HydrophobicContact CZ2-CB 4.41Å; W495-P497 HydrophobicContact CZ2-CG 4.16Å | ||
| 496 | R | 88.8 | Confident | 88.5 | Confident | 191 Ų | 191 | 88 Ų | 88 | 72% | 0.721 | 41% | 0.406 | S | S | * | . | trans | -140.6 | 66.9 | -179.9 | -59.8 | -177.2 | -169 | -177.4 | 0.5 | 110 | N76 P493 R498 | N76-R496 PolarHBondContact OD1-N 2.76Å; P493-R496 PolarHBondContact O-NE 3.46Å; R496-R498 PolarHBondContact O-N 3.1Å | ||
| 497 | P | 87.4 | Confident | 88.7 | Confident | 34 Ų | 34 | 84.5 Ų | 84.5 | 22% | 0.221 | 39% | 0.388 | C | S | . | . | trans | -60.6 | 129 | -179 | 26.1 | -34.1 | 0 | 0 | 0 | 110.2 | A72 W495 Y502 | A72-P497 HydrophobicContact CB-CB 3.92Å; W495-P497 HydrophobicContact CZ2-CB 4.41Å; W495-P497 HydrophobicContact CZ2-CG 4.16Å; P497-Y502 HydrophobicContact CB-CD1 4.11Å; P497-Y502 HydrophobicContact CB-CE1 4.44Å; P497-Y502 HydrophobicContact CG-CD1 3.65Å; P497-Y502 HydrophobicContact CG-CE1 3.68Å | ||
| 498 | R | 89.6 | Confident | 89 | Confident | 173 Ų | 173 | 86.6 Ų | 86.6 | 65% | 0.653 | 40% | 0.399 | S | S | * | . | trans | -91.9 | -4.8 | 179.6 | -70.4 | -172.8 | -71.1 | 168.1 | 0.5 | 113.4 | R496 R500 | R496-R498 PolarHBondContact O-N 3.1Å; R498-R500 PolarHBondContact O-N 3.25Å | ||
| 499 | F | 89.4 | Confident | 89.3 | Confident | 38 Ų | 38 | 88.5 Ų | 88.5 | 17% | 0.167 | 41% | 0.408 | C | S | . | . | trans | -68.7 | 120.4 | -178.3 | -170.8 | -116.1 | 0 | 0 | 0 | 111.8 | I68 A71 T75 P340 I344 F501 Y502 | I68-F499 HydrophobicContact CG2-CD1 4.43Å; I68-F499 HydrophobicContact CG2-CE1 4.22Å; A71-F499 HydrophobicContact CB-CD1 4.02Å; A71-F499 HydrophobicContact CB-CD2 4.22Å; A71-F499 HydrophobicContact CB-CE1 4.04Å; A71-F499 HydrophobicContact CB-CE2 4.26Å; A71-F499 HydrophobicContact CB-CG 4.1Å; A71-F499 HydrophobicContact CB-CZ 4.18Å; T75-F499 HydrophobicContact CG2-CB 4.29Å; T75-F499 PolarHBondContact OG1-N 3.18Å; P340-F499 HydrophobicContact CB-CD2 4.35Å; P340-F499 HydrophobicContact CB-CE2 4.02Å; I344-F499 HydrophobicContact CD1-CE1 4.33Å; I344-F499 HydrophobicContact CD1-CZ 3.7Å; F499-F501 HydrophobicContact CD1-CB 4.31Å; F499-F501 HydrophobicContact CE1-CB 3.7Å; F499-F501 HydrophobicContact CE1-CD2 4.3Å; F499-F501 HydrophobicContact CE2-CD2 4.44Å; F499-F501 HydrophobicContact CZ-CB 4.18Å; F499-F501 AromaticContact CZ-CD2 3.91Å; F499-F501 HydrophobicContact CZ-CD2 3.91Å; F499-F501 PolarHBondContact O-N 2.9Å; F499-Y502 WeakPolarHBondContact O-CB 3.39Å; F499-Y502 PolarHBondContact O-N 3.44Å | ||
| 500 | R | 90.1 | Very high | 89.5 | Confident | 225 Ų | 225 | 83.5 Ų | 83.5 | 85% | 0.849 | 38% | 0.381 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -61.2 | -35.9 | -172.1 | -177.6 | 179.1 | 175.6 | -178.7 | -1.3 | 114.4 | R498 Y502 | R498-R500 PolarHBondContact O-N 3.25Å; R500-Y502 VanDerWaalsContact C-N 3.32Å |
| 501 | F | 91.8 | Very high | 90 | Very high | 140 Ų | 140 | 80.2 Ų | 80.2 | 61% | 0.614 | 36% | 0.364 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -91.4 | 7 | -176.3 | -57.1 | -72.3 | 0 | 0 | 0 | 113.3 | F499 | F499-F501 HydrophobicContact CD1-CB 4.31Å; F499-F501 HydrophobicContact CE1-CB 3.7Å; F499-F501 HydrophobicContact CE1-CD2 4.3Å; F499-F501 HydrophobicContact CE2-CD2 4.44Å; F499-F501 HydrophobicContact CZ-CB 4.18Å; F499-F501 AromaticContact CZ-CD2 3.91Å; F499-F501 HydrophobicContact CZ-CD2 3.91Å; F499-F501 PolarHBondContact O-N 2.9Å |
| 502 | Y | 93.7 | Very high | 90.6 | Very high | 29 Ų | 29 | 76.5 Ų | 76.5 | 11% | 0.114 | 35% | 0.352 | C | S | . | . | trans | -80 | 129.1 | 176.6 | 176 | -105.2 | 0 | 0 | 0 | 111.1 | I68 A72 C484 T488 P497 F499 R500 S507 | I68-Y502 HydrophobicContact CG2-CD2 4.34Å; A72-Y502 HydrophobicContact CB-CD1 4.21Å; A72-Y502 HydrophobicContact CB-CD2 3.31Å; A72-Y502 HydrophobicContact CB-CE2 3.69Å; A72-Y502 HydrophobicContact CB-CG 3.6Å; C484-Y502 HydrophobicContact CB-CE2 4.41Å; C484-Y502 PolarHBondContact O-OH 2.95Å; T488-Y502 PolarHBondContact OG1-OH 3.31Å; P497-Y502 HydrophobicContact CB-CD1 4.11Å; P497-Y502 HydrophobicContact CB-CE1 4.44Å; P497-Y502 HydrophobicContact CG-CD1 3.65Å; P497-Y502 HydrophobicContact CG-CE1 3.68Å; F499-Y502 WeakPolarHBondContact O-CB 3.39Å; F499-Y502 PolarHBondContact O-N 3.44Å; R500-Y502 VanDerWaalsContact C-N 3.32Å; Y502-S507 WeakPolarHBondContact CE2-OG 3.33Å | ||
| 503 | H | 94.5 | Very high | 91.4 | Very high | 90 Ų | 90 | 77.2 Ų | 77.2 | 42% | 0.417 | 35% | 0.354 | S | S | . | . | trans | -141.2 | 143.4 | 166 | -171.9 | -96.7 | 0 | 0 | 0 | 109.3 | S505 L506 | H503-S505 PolarHBondContact CE1-OG 2.91Å; H503-S505 WeakPolarHBondContact ND1-CB 3.35Å; H503-S505 PolarHBondContact ND1-N 2.94Å; H503-S505 PolarHBondContact ND1-OG 3.42Å; H503-S505 PolarHBondContact O-N 3.42Å; H503-L506 HydrophobicContact CB-CD1 4.44Å; H503-L506 HydrophobicContact CB-CG 4.48Å; H503-L506 PolarHBondContact O-N 3.42Å; H503-L506 VanDerWaalsContact O-N 3.1Å | ||
| 504 | W | 94.1 | Very high | 92.3 | Very high | 96 Ų | 96 | 73.7 Ų | 73.7 | 36% | 0.364 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.1 | -32.9 | -176 | 66.8 | -89.9 | 0 | 0 | 0 | 112.6 | T485 T488 L489 L506 S507 L508 | T485-W504 WeakPolarHBondContact CG2-O 3.4Å; T488-W504 HydrophobicContact CG2-CB 3.99Å; L489-W504 HydrophobicContact CD2-CD2 4.39Å; L489-W504 HydrophobicContact CD2-CE3 4.43Å; W504-L506 VanDerWaalsContact C-N 3.32Å; W504-L506 PolarHBondContact O-N 2.95Å; W504-S507 PolarHBondContact O-N 2.95Å; W504-L508 HydrophobicContact CE3-CD2 4.46Å; W504-L508 HydrophobicContact CZ3-CD2 3.9Å; W504-L508 PolarHBondContact O-N 3.44Å |
| 505 | S | 95.6 | Very high | 92.8 | Very high | 39 Ų | 39 | 71.5 Ų | 71.5 | 27% | 0.273 | 32% | 0.315 | S | S | . | . | H | α-helix | trans | -64.7 | -33.7 | 178.7 | 66 | 0 | 0 | 0 | 0 | 113.2 | H503 L508 I509 | H503-S505 PolarHBondContact CE1-OG 2.91Å; H503-S505 WeakPolarHBondContact ND1-CB 3.35Å; H503-S505 PolarHBondContact ND1-N 2.94Å; H503-S505 PolarHBondContact ND1-OG 3.42Å; H503-S505 PolarHBondContact O-N 3.42Å; S505-L508 PolarHBondContact O-N 3.35Å; S505-I509 VanDerWaalsContact O-CG1 3.28Å; S505-I509 WeakPolarHBondContact O-CG1 3.49Å; S505-I509 PolarHBondContact O-N 2.64Å |
| 506 | L | 94.8 | Very high | 93.2 | Very high | 49 Ų | 49 | 76 Ų | 76 | 26% | 0.257 | 34% | 0.335 | S | S | . | . | H | α-helix | trans | -67 | -43.4 | 178.8 | -64.5 | 175.1 | 0 | 0 | 0 | 111 | F65 I68 H503 W504 L508 I509 G510 | F65-L506 HydrophobicContact CD1-CB 4.34Å; F65-L506 HydrophobicContact CD1-CD2 4.41Å; F65-L506 HydrophobicContact CE1-CD2 3.98Å; I68-L506 HydrophobicContact CD1-CD1 4.41Å; H503-L506 HydrophobicContact CB-CD1 4.44Å; H503-L506 HydrophobicContact CB-CG 4.48Å; H503-L506 PolarHBondContact O-N 3.42Å; H503-L506 VanDerWaalsContact O-N 3.1Å; W504-L506 VanDerWaalsContact C-N 3.32Å; W504-L506 PolarHBondContact O-N 2.95Å; L506-L508 VanDerWaalsContact C-N 3.31Å; L506-L508 PolarHBondContact O-N 3.37Å; L506-I509 PolarHBondContact O-N 3.39Å; L506-G510 PolarHBondContact O-N 3.08Å |
| 507 | S | 94.9 | Very high | 93.4 | Very high | 0 Ų | 0 | 67 Ų | 67 | 0% | 0 | 30% | 0.302 | C | S | . | . | H | α-helix | trans | -62.4 | -40.1 | 172.4 | -59.6 | 0 | 0 | 0 | 0 | 111.1 | S69 N481 Y502 W504 I509 G510 A511 | S69-S507 WeakPolarHBondContact OG-CB 3.38Å; S69-S507 PolarHBondContact OG-OG 2.83Å; N481-S507 WeakPolarHBondContact CB-O 3.47Å; Y502-S507 WeakPolarHBondContact CE2-OG 3.33Å; W504-S507 PolarHBondContact O-N 2.95Å; S507-I509 PolarHBondContact O-N 3.29Å; S507-G510 PolarHBondContact O-N 3.01Å; S507-A511 PolarHBondContact O-N 3.14Å |
| 508 | L | 96.3 | Very high | 93.5 | Very high | 66 Ų | 66 | 65.5 Ų | 65.5 | 35% | 0.346 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -63.6 | -43.2 | 178.3 | -174.2 | 62.2 | 0 | 0 | 0 | 112 | T485 W504 S505 L506 G510 A511 I512 | T485-L508 HydrophobicContact CG2-CB 3.76Å; T485-L508 HydrophobicContact CG2-CD1 4.42Å; T485-L508 VanDerWaalsContact CG2-N 3.3Å; W504-L508 HydrophobicContact CE3-CD2 4.46Å; W504-L508 HydrophobicContact CZ3-CD2 3.9Å; W504-L508 PolarHBondContact O-N 3.44Å; S505-L508 PolarHBondContact O-N 3.35Å; L506-L508 VanDerWaalsContact C-N 3.31Å; L506-L508 PolarHBondContact O-N 3.37Å; L508-G510 VanDerWaalsContact C-N 3.32Å; L508-G510 PolarHBondContact O-N 3.14Å; L508-A511 PolarHBondContact O-N 2.94Å; L508-I512 HydrophobicContact CD1-CD1 4.42Å; L508-I512 HydrophobicContact CG-CD1 4.03Å; L508-I512 WeakPolarHBondContact O-CG1 3.41Å; L508-I512 PolarHBondContact O-N 3.33Å |
| 509 | I | 96.7 | Very high | 93.6 | Very high | 81 Ų | 81 | 60.7 Ų | 60.7 | 42% | 0.415 | 28% | 0.278 | S | S | . | . | H | α-helix | trans | -60.7 | -43.9 | 175.2 | -68 | 163.6 | 0 | 0 | 0 | 110.3 | F65 S505 L506 S507 A511 I512 L513 | F65-I509 HydrophobicContact CD2-CG2 4.12Å; F65-I509 HydrophobicContact CE2-CG2 3.64Å; F65-I509 HydrophobicContact CZ-CG2 4.15Å; S505-I509 VanDerWaalsContact O-CG1 3.28Å; S505-I509 WeakPolarHBondContact O-CG1 3.49Å; S505-I509 PolarHBondContact O-N 2.64Å; L506-I509 PolarHBondContact O-N 3.39Å; S507-I509 PolarHBondContact O-N 3.29Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 3.23Å; I509-I512 PolarHBondContact O-N 3.43Å; I509-L513 WeakPolarHBondContact O-CB 3.34Å; I509-L513 PolarHBondContact O-N 3.38Å |
| 510 | G | 95.2 | Very high | 93.6 | Very high | 0 Ų | 0 | 60.2 Ų | 60.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | H | α-helix | trans | -60 | -39.7 | 175.2 | 0 | 0 | 0 | 0 | 0 | 113.4 | L506 S507 L508 A514 | L506-G510 PolarHBondContact O-N 3.08Å; S507-G510 PolarHBondContact O-N 3.01Å; L508-G510 VanDerWaalsContact C-N 3.32Å; L508-G510 PolarHBondContact O-N 3.14Å; G510-A514 WeakPolarHBondContact O-CB 3.26Å; G510-A514 PolarHBondContact O-N 2.88Å |
| 511 | A | 95.3 | Very high | 93.4 | Very high | 4 Ų | 4 | 50.5 Ų | 50.5 | 3% | 0.033 | 25% | 0.247 | C | C | . | . | H | α-helix | trans | -65.6 | -46.3 | 175.1 | 0 | 0 | 0 | 0 | 0 | 112.2 | N481 I482 S507 L508 I509 L513 A514 F515 | N481-A511 HydrophobicContact CB-CB 3.76Å; I482-A511 HydrophobicContact CG1-CB 3.79Å; S507-A511 PolarHBondContact O-N 3.14Å; L508-A511 PolarHBondContact O-N 2.94Å; I509-A511 VanDerWaalsContact C-N 3.33Å; I509-A511 PolarHBondContact O-N 3.23Å; A511-L513 VanDerWaalsContact C-N 3.34Å; A511-L513 PolarHBondContact O-N 3.04Å; A511-A514 PolarHBondContact O-N 3.28Å; A511-F515 VanDerWaalsContact O-CB 3.29Å; A511-F515 WeakPolarHBondContact O-CB 3.32Å; A511-F515 PolarHBondContact O-N 3.23Å |
| 512 | I | 96.2 | Very high | 93.1 | Very high | 105 Ų | 105 | 47.8 Ų | 47.8 | 54% | 0.538 | 24% | 0.236 | S | C | . | . | H | α-helix | trans | -61.9 | -44.4 | 179 | -68.2 | 167 | 0 | 0 | 0 | 110.3 | L508 I509 F515 F516 | L508-I512 HydrophobicContact CD1-CD1 4.42Å; L508-I512 HydrophobicContact CG-CD1 4.03Å; L508-I512 WeakPolarHBondContact O-CG1 3.41Å; L508-I512 PolarHBondContact O-N 3.33Å; I509-I512 PolarHBondContact O-N 3.43Å; I512-F515 PolarHBondContact O-N 2.85Å; I512-F516 VanDerWaalsContact O-CB 3.3Å; I512-F516 WeakPolarHBondContact O-CB 3.33Å; I512-F516 PolarHBondContact O-N 3.49Å |
| 513 | L | 94.1 | Very high | 93 | Very high | 29 Ų | 29 | 53.8 Ų | 53.8 | 15% | 0.152 | 26% | 0.258 | C | S | . | . | H | α-helix | trans | -65.9 | -43.4 | -179.8 | -170.9 | 64.1 | 0 | 0 | 0 | 111.8 | L58 L61 V62 I509 A511 F516 I517 | L58-L513 HydrophobicContact CD2-CD1 4.12Å; L61-L513 HydrophobicContact CB-CD2 3.84Å; V62-L513 HydrophobicContact CB-CD2 4.41Å; V62-L513 HydrophobicContact CG2-CB 3.96Å; V62-L513 HydrophobicContact CG2-CD2 3.38Å; V62-L513 HydrophobicContact CG2-CG 3.39Å; I509-L513 WeakPolarHBondContact O-CB 3.34Å; I509-L513 PolarHBondContact O-N 3.38Å; A511-L513 VanDerWaalsContact C-N 3.34Å; A511-L513 PolarHBondContact O-N 3.04Å; L513-F516 PolarHBondContact O-N 3.29Å; L513-I517 WeakPolarHBondContact O-CG1 3.34Å; L513-I517 PolarHBondContact O-N 3.09Å |
| 514 | A | 93.6 | Very high | 92.8 | Very high | 1 Ų | 1 | 54.8 Ų | 54.8 | 1% | 0.008 | 26% | 0.263 | C | S | . | . | H | α-helix | trans | -62.6 | -43.2 | 175.4 | 0 | 0 | 0 | 0 | 0 | 112 | V62 L474 C478 G510 A511 I517 M518 | V62-A514 HydrophobicContact CG1-CB 4.01Å; L474-A514 HydrophobicContact CD2-CB 4.2Å; C478-A514 HydrophobicContact CB-CB 4.04Å; G510-A514 WeakPolarHBondContact O-CB 3.26Å; G510-A514 PolarHBondContact O-N 2.88Å; A511-A514 PolarHBondContact O-N 3.28Å; A514-I517 PolarHBondContact O-N 3.42Å; A514-M518 WeakPolarHBondContact O-CB 3.33Å; A514-M518 PolarHBondContact O-N 3.46Å; A514-M518 VanDerWaalsContact O-N 3.09Å |
| 515 | F | 93 | Very high | 92.5 | Very high | 92 Ų | 92 | 56.6 Ų | 56.6 | 40% | 0.404 | 27% | 0.271 | S | S | . | . | H | α-helix | trans | -64.8 | -40.5 | 177 | -176.3 | -104.1 | 0 | 0 | 0 | 112.2 | A511 I512 M518 I519 I530 | A511-F515 VanDerWaalsContact O-CB 3.29Å; A511-F515 WeakPolarHBondContact O-CB 3.32Å; A511-F515 PolarHBondContact O-N 3.23Å; I512-F515 PolarHBondContact O-N 2.85Å; F515-M518 HydrophobicContact CD2-CE 3.73Å; F515-M518 HydrophobicContact CE2-CE 4.17Å; F515-M518 PolarHBondContact O-N 3.19Å; F515-I519 HydrophobicContact CD1-CD1 3.96Å; F515-I519 HydrophobicContact CD2-CD1 4.5Å; F515-I519 HydrophobicContact CE1-CD1 3.31Å; F515-I519 HydrophobicContact CE1-CG1 4.46Å; F515-I519 HydrophobicContact CE2-CD1 3.92Å; F515-I519 HydrophobicContact CZ-CD1 3.3Å; F515-I519 HydrophobicContact CZ-CG1 4.37Å; F515-I519 PolarHBondContact O-N 3.1Å; F515-I519 VanDerWaalsContact O-N 3.12Å; F515-I530 HydrophobicContact CE2-CD1 3.87Å |
| 516 | F | 92.8 | Very high | 92.2 | Very high | 113 Ų | 113 | 54.8 Ų | 54.8 | 50% | 0.496 | 26% | 0.259 | S | S | . | . | H | α-helix | trans | -60.6 | -50.6 | 175.7 | 172.9 | -101.7 | 0 | 0 | 0 | 111.6 | I512 L513 M518 I519 A520 | I512-F516 VanDerWaalsContact O-CB 3.3Å; I512-F516 WeakPolarHBondContact O-CB 3.33Å; I512-F516 PolarHBondContact O-N 3.49Å; L513-F516 PolarHBondContact O-N 3.29Å; F516-M518 VanDerWaalsContact C-N 3.28Å; F516-M518 PolarHBondContact O-N 3.2Å; F516-I519 PolarHBondContact O-N 2.88Å; F516-A520 HydrophobicContact CZ-CB 4.47Å; F516-A520 WeakPolarHBondContact O-CB 3.33Å; F516-A520 PolarHBondContact O-N 3.43Å |
| 517 | I | 92 | Very high | 92.1 | Very high | 4 Ų | 4 | 56.7 Ų | 56.7 | 2% | 0.021 | 27% | 0.268 | C | S | . | . | H | α-helix | trans | -58.9 | -42.3 | 178.6 | -70.5 | 176.7 | 0 | 0 | 0 | 111.3 | V62 L312 L474 L513 A514 A520 T521 | V62-I517 HydrophobicContact CG2-CD1 3.7Å; L312-I517 HydrophobicContact CD2-CB 4.34Å; L312-I517 HydrophobicContact CD2-CD1 4.36Å; L312-I517 HydrophobicContact CD2-CG1 4.22Å; L312-I517 HydrophobicContact CD2-CG2 3.35Å; L474-I517 HydrophobicContact CD1-CB 4.42Å; L474-I517 HydrophobicContact CD1-CG2 3.65Å; L474-I517 HydrophobicContact CD2-CB 4.31Å; L474-I517 HydrophobicContact CD2-CG2 4.1Å; L513-I517 WeakPolarHBondContact O-CG1 3.34Å; L513-I517 PolarHBondContact O-N 3.09Å; A514-I517 PolarHBondContact O-N 3.42Å; I517-A520 PolarHBondContact O-N 2.95Å; I517-T521 PolarHBondContact O-N 3.47Å; I517-T521 VanDerWaalsContact O-N 3.09Å; I517-T521 PolarHBondContact O-OG1 3.47Å |
| 518 | M | 90.7 | Very high | 91.9 | Very high | 1 Ų | 1 | 61.2 Ų | 61.2 | 1% | 0.005 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -60.9 | -46.9 | -179.8 | -168.9 | 178.6 | 54.5 | 0 | 0 | 112 | F471 L474 M475 A514 F515 F516 A526 I530 | F471-M518 HydrophobicContact CD1-CG 3.64Å; F471-M518 HydrophobicContact CE1-CG 3.89Å; F471-M518 WeakPolarHBondContact CE1-O 3.3Å; L474-M518 HydrophobicContact CD1-CB 4.33Å; M475-M518 HydrophobicContact CB-SD 4.4Å; M475-M518 HydrophobicContact SD-CE 4.4Å; M475-M518 HydrophobicContact SD-SD 4.37Å; A514-M518 WeakPolarHBondContact O-CB 3.33Å; A514-M518 PolarHBondContact O-N 3.46Å; A514-M518 VanDerWaalsContact O-N 3.09Å; F515-M518 HydrophobicContact CD2-CE 3.73Å; F515-M518 HydrophobicContact CE2-CE 4.17Å; F515-M518 PolarHBondContact O-N 3.19Å; F516-M518 VanDerWaalsContact C-N 3.28Å; F516-M518 PolarHBondContact O-N 3.2Å; M518-A526 HydrophobicContact CE-CB 4.37Å; M518-A526 HydrophobicContact CG-CB 3.73Å; M518-A526 HydrophobicContact SD-CB 4.32Å; M518-I530 HydrophobicContact CE-CD1 3.68Å; M518-I530 HydrophobicContact CE-CG1 3.88Å |
| 519 | I | 91.6 | Very high | 91.6 | Very high | 73 Ų | 73 | 58.8 Ų | 58.8 | 37% | 0.374 | 28% | 0.283 | S | S | . | . | H | α-helix | trans | -71.3 | -38.8 | 178.3 | -69.6 | 179 | 0 | 0 | 0 | 111.8 | F515 F516 T521 W523 A526 | F515-I519 HydrophobicContact CD1-CD1 3.96Å; F515-I519 HydrophobicContact CD2-CD1 4.5Å; F515-I519 HydrophobicContact CE1-CD1 3.31Å; F515-I519 HydrophobicContact CE1-CG1 4.46Å; F515-I519 HydrophobicContact CE2-CD1 3.92Å; F515-I519 HydrophobicContact CZ-CD1 3.3Å; F515-I519 HydrophobicContact CZ-CG1 4.37Å; F515-I519 PolarHBondContact O-N 3.1Å; F515-I519 VanDerWaalsContact O-N 3.12Å; F516-I519 PolarHBondContact O-N 2.88Å; I519-T521 VanDerWaalsContact C-N 3.26Å; I519-T521 PolarHBondContact O-N 2.76Å; I519-W523 HydrophobicContact CG2-CB 4.19Å; I519-W523 PolarHBondContact O-N 2.81Å; I519-A526 HydrophobicContact CG1-CB 4.38Å |
| 520 | A | 89.9 | Confident | 91.3 | Very high | 27 Ų | 27 | 56.9 Ų | 56.9 | 22% | 0.223 | 27% | 0.273 | C | S | . | . | H | α-helix | trans | -67.1 | -27.3 | -176.8 | 0 | 0 | 0 | 0 | 0 | 113.1 | F309 F516 I517 | F309-A520 HydrophobicContact CD1-CB 3.66Å; F309-A520 HydrophobicContact CE1-CB 3.64Å; F309-A520 HydrophobicContact CG-CB 4.49Å; F309-A520 HydrophobicContact CZ-CB 4.45Å; F516-A520 HydrophobicContact CZ-CB 4.47Å; F516-A520 WeakPolarHBondContact O-CB 3.33Å; F516-A520 PolarHBondContact O-N 3.43Å; I517-A520 PolarHBondContact O-N 2.95Å |
| 521 | T | 85.4 | Confident | 91.2 | Very high | 21 Ų | 21 | 60.8 Ų | 60.8 | 13% | 0.129 | 30% | 0.297 | C | S | . | . | H | α-helix | trans | -74.9 | -69.5 | 177.4 | -56.6 | 0 | 0 | 0 | 0 | 111.2 | A313 F471 I517 I519 | A313-T521 HydrophobicContact CB-CG2 3.38Å; F471-T521 HydrophobicContact CZ-CG2 4.17Å; I517-T521 PolarHBondContact O-N 3.47Å; I517-T521 VanDerWaalsContact O-N 3.09Å; I517-T521 PolarHBondContact O-OG1 3.47Å; I519-T521 VanDerWaalsContact C-N 3.26Å; I519-T521 PolarHBondContact O-N 2.76Å |
| 522 | H | 85.8 | Confident | 90.9 | Very high | 84 Ų | 84 | 64.2 Ų | 64.2 | 39% | 0.389 | 31% | 0.313 | S | S | . | . | trans | -144.4 | 107.7 | 171.2 | -63.2 | -72.9 | 0 | 0 | 0 | 109.4 | F471 E524 Y525 A526 | F471-H522 HydrophobicContact CE2-CB 4.49Å; F471-H522 HydrophobicContact CZ-CB 3.83Å; H522-E524 PolarHBondContact O-N 3.1Å; H522-Y525 HydrophobicContact CB-CD2 3.67Å; H522-Y525 HydrophobicContact CB-CE2 4.32Å; H522-Y525 HydrophobicContact CB-CG 4.36Å; H522-Y525 AromaticContact CG-CD2 3.98Å; H522-Y525 PolarHBondContact O-N 3.26Å; H522-A526 WeakPolarHBondContact O-CB 3.48Å; H522-A526 PolarHBondContact O-N 2.99Å; H522-A526 VanDerWaalsContact O-N 3.13Å | ||
| 523 | W | 90.8 | Very high | 90.6 | Very high | 154 Ų | 154 | 59.4 Ų | 59.4 | 58% | 0.583 | 29% | 0.289 | S | S | * | . | H | α-helix | trans | -62.5 | -31.9 | -178.9 | 68.3 | -85.2 | 0 | 0 | 0 | 112.7 | I519 A526 I527 | I519-W523 HydrophobicContact CG2-CB 4.19Å; I519-W523 PolarHBondContact O-N 2.81Å; W523-A526 WeakPolarHBondContact O-CB 3.46Å; W523-A526 PolarHBondContact O-N 3.11Å; W523-I527 HydrophobicContact CE3-CD1 3.61Å; W523-I527 HydrophobicContact CZ3-CD1 3.82Å; W523-I527 WeakPolarHBondContact O-CG1 3.22Å; W523-I527 PolarHBondContact O-N 3.06Å; W523-I527 VanDerWaalsContact O-N 3.1Å |
| 524 | E | 90.2 | Very high | 90.4 | Very high | 112 Ų | 112 | 62.6 Ų | 62.6 | 52% | 0.523 | 31% | 0.305 | S | S | . | . | H | α-helix | trans | -64.2 | -51.8 | -179.7 | -60 | -177.5 | -172 | 0 | 0 | 111.6 | H522 A526 I527 V528 | H522-E524 PolarHBondContact O-N 3.1Å; E524-A526 VanDerWaalsContact C-N 3.33Å; E524-A526 PolarHBondContact O-N 2.73Å; E524-I527 PolarHBondContact O-N 3.02Å; E524-V528 PolarHBondContact O-N 3.48Å |
| 525 | Y | 87.7 | Confident | 90.3 | Very high | 134 Ų | 134 | 66 Ų | 66 | 53% | 0.525 | 33% | 0.329 | S | S | . | . | H | α-helix | trans | -66.9 | -35.1 | 177.5 | -59.1 | -37.9 | 0 | 0 | 0 | 112.1 | F471 H522 I527 V528 V529 | F471-Y525 AromaticContact CE2-CD2 3.91Å; F471-Y525 HydrophobicContact CE2-CD2 3.91Å; F471-Y525 HydrophobicContact CE2-CG 4.32Å; F471-Y525 HydrophobicContact CZ-CD2 4.31Å; H522-Y525 HydrophobicContact CB-CD2 3.67Å; H522-Y525 HydrophobicContact CB-CE2 4.32Å; H522-Y525 HydrophobicContact CB-CG 4.36Å; H522-Y525 AromaticContact CG-CD2 3.98Å; H522-Y525 PolarHBondContact O-N 3.26Å; Y525-I527 VanDerWaalsContact C-N 3.35Å; Y525-I527 PolarHBondContact O-N 2.94Å; Y525-V528 PolarHBondContact O-N 3.49Å; Y525-V529 WeakPolarHBondContact O-CG2 3.47Å; Y525-V529 PolarHBondContact O-N 2.63Å |
| 526 | A | 89.6 | Confident | 90.2 | Very high | 1 Ų | 1 | 63 Ų | 63 | 1% | 0.008 | 32% | 0.317 | C | S | . | . | H | α-helix | trans | -57.2 | -46.3 | 174.1 | 0 | 0 | 0 | 0 | 0 | 111.9 | F471 M518 I519 H522 W523 E524 V528 V529 I530 | F471-A526 HydrophobicContact CE1-CB 4.16Å; M518-A526 HydrophobicContact CE-CB 4.37Å; M518-A526 HydrophobicContact CG-CB 3.73Å; M518-A526 HydrophobicContact SD-CB 4.32Å; I519-A526 HydrophobicContact CG1-CB 4.38Å; H522-A526 WeakPolarHBondContact O-CB 3.48Å; H522-A526 PolarHBondContact O-N 2.99Å; H522-A526 VanDerWaalsContact O-N 3.13Å; W523-A526 WeakPolarHBondContact O-CB 3.46Å; W523-A526 PolarHBondContact O-N 3.11Å; E524-A526 VanDerWaalsContact C-N 3.33Å; E524-A526 PolarHBondContact O-N 2.73Å; A526-V528 PolarHBondContact O-N 3.35Å; A526-V529 PolarHBondContact O-N 3.34Å; A526-I530 WeakPolarHBondContact O-CB 3.38Å; A526-I530 WeakPolarHBondContact O-CD1 3.48Å; A526-I530 WeakPolarHBondContact O-CG1 3.33Å; A526-I530 PolarHBondContact O-N 2.89Å |
| 527 | I | 91.5 | Very high | 90 | Very high | 88 Ų | 88 | 59.1 Ų | 59.1 | 45% | 0.451 | 30% | 0.3 | S | S | . | . | H | α-helix | trans | -61.8 | -45.7 | 178.3 | -69.1 | 170 | 0 | 0 | 0 | 110.9 | W523 E524 Y525 V529 I530 V531 | W523-I527 HydrophobicContact CE3-CD1 3.61Å; W523-I527 HydrophobicContact CZ3-CD1 3.82Å; W523-I527 WeakPolarHBondContact O-CG1 3.22Å; W523-I527 PolarHBondContact O-N 3.06Å; W523-I527 VanDerWaalsContact O-N 3.1Å; E524-I527 PolarHBondContact O-N 3.02Å; Y525-I527 VanDerWaalsContact C-N 3.35Å; Y525-I527 PolarHBondContact O-N 2.94Å; I527-V529 VanDerWaalsContact C-N 3.34Å; I527-V529 PolarHBondContact O-N 3.24Å; I527-I530 PolarHBondContact O-N 3.3Å; I527-V531 HydrophobicContact CG2-CG2 4.31Å; I527-V531 WeakPolarHBondContact O-CG2 3.34Å; I527-V531 PolarHBondContact O-N 3.17Å |
| 528 | V | 91.1 | Very high | 89.8 | Confident | 96 Ų | 96 | 66 Ų | 66 | 58% | 0.582 | 33% | 0.326 | S | S | * | . | H | α-helix | trans | -58.6 | -46.6 | 179.5 | 175.1 | 0 | 0 | 0 | 0 | 110.9 | E524 Y525 A526 V531 M532 | E524-V528 PolarHBondContact O-N 3.48Å; Y525-V528 PolarHBondContact O-N 3.49Å; A526-V528 PolarHBondContact O-N 3.35Å; V528-V531 PolarHBondContact O-N 2.88Å; V528-M532 WeakPolarHBondContact O-CB 3.32Å; V528-M532 PolarHBondContact O-N 3.47Å |
| 529 | V | 89.5 | Confident | 89.8 | Confident | 14 Ų | 14 | 69.8 Ų | 69.8 | 9% | 0.085 | 34% | 0.34 | C | S | . | . | H | α-helix | trans | -68.4 | -37.9 | -179.7 | 174.4 | 0 | 0 | 0 | 0 | 112 | F471 M475 Y525 A526 I527 M532 C533 | F471-V529 HydrophobicContact CB-CG2 4.17Å; M475-V529 HydrophobicContact CB-CG1 3.91Å; M475-V529 HydrophobicContact CG-CG1 3.99Å; Y525-V529 WeakPolarHBondContact O-CG2 3.47Å; Y525-V529 PolarHBondContact O-N 2.63Å; A526-V529 PolarHBondContact O-N 3.34Å; I527-V529 VanDerWaalsContact C-N 3.34Å; I527-V529 PolarHBondContact O-N 3.24Å; V529-M532 PolarHBondContact O-N 3.39Å; V529-C533 WeakPolarHBondContact O-CB 3.31Å; V529-C533 PolarHBondContact O-N 3Å |
| 530 | I | 91 | Very high | 89.6 | Confident | 41 Ų | 41 | 66.3 Ų | 66.3 | 21% | 0.21 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -62.7 | -48.1 | 174.7 | -69.5 | 162.8 | 0 | 0 | 0 | 110.8 | M475 F515 M518 A526 I527 M532 C533 I534 | M475-I530 HydrophobicContact SD-CG1 4.15Å; F515-I530 HydrophobicContact CE2-CD1 3.87Å; M518-I530 HydrophobicContact CE-CD1 3.68Å; M518-I530 HydrophobicContact CE-CG1 3.88Å; A526-I530 WeakPolarHBondContact O-CB 3.38Å; A526-I530 WeakPolarHBondContact O-CD1 3.48Å; A526-I530 WeakPolarHBondContact O-CG1 3.33Å; A526-I530 PolarHBondContact O-N 2.89Å; I527-I530 PolarHBondContact O-N 3.3Å; I530-M532 VanDerWaalsContact C-N 3.31Å; I530-M532 PolarHBondContact O-N 3Å; I530-C533 PolarHBondContact O-N 3.43Å; I530-I534 HydrophobicContact CG2-CD1 3.84Å; I530-I534 HydrophobicContact CG2-CG1 4.46Å; I530-I534 WeakPolarHBondContact O-CG1 3.43Å; I530-I534 PolarHBondContact O-N 3.37Å |
| 531 | V | 92.6 | Very high | 89.4 | Confident | 82 Ų | 82 | 66.8 Ų | 66.8 | 50% | 0.497 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.9 | -41.6 | 178.9 | 171.2 | 0 | 0 | 0 | 0 | 110.8 | I527 V528 I534 S535 | I527-V531 HydrophobicContact CG2-CG2 4.31Å; I527-V531 WeakPolarHBondContact O-CG2 3.34Å; I527-V531 PolarHBondContact O-N 3.17Å; V528-V531 PolarHBondContact O-N 2.88Å; V531-I534 PolarHBondContact O-N 3.21Å; V531-S535 WeakPolarHBondContact O-CB 3.3Å; V531-S535 PolarHBondContact O-N 3.47Å; V531-S535 PolarHBondContact O-OG 2.95Å |
| 532 | M | 90.2 | Very high | 89.5 | Confident | 76 Ų | 76 | 70.1 Ų | 70.1 | 37% | 0.374 | 33% | 0.331 | S | S | . | . | H | α-helix | trans | -59.1 | -46.5 | 173.6 | -178.2 | -178.5 | 176.8 | 0 | 0 | 111.3 | L106 V528 V529 I530 S535 I536 | L106-M532 HydrophobicContact CD1-CE 3.69Å; V528-M532 WeakPolarHBondContact O-CB 3.32Å; V528-M532 PolarHBondContact O-N 3.47Å; V529-M532 PolarHBondContact O-N 3.39Å; I530-M532 VanDerWaalsContact C-N 3.31Å; I530-M532 PolarHBondContact O-N 3Å; M532-S535 PolarHBondContact O-N 2.86Å; M532-I536 HydrophobicContact CE-CD1 3.95Å; M532-I536 HydrophobicContact CG-CD1 3.9Å; M532-I536 VanDerWaalsContact O-CG1 3.3Å; M532-I536 WeakPolarHBondContact O-CG1 3.36Å; M532-I536 PolarHBondContact O-N 2.81Å |
| 533 | C | 89.6 | Confident | 89.5 | Confident | 4 Ų | 4 | 70.1 Ų | 70.1 | 3% | 0.027 | 33% | 0.328 | C | S | . | . | H | α-helix | trans | -62.6 | -47.1 | 179 | -177.3 | 0 | 0 | 0 | 0 | 112.4 | L103 M475 V529 I530 S535 I536 H537 | L103-C533 HydrophobicContact CD1-CB 4.28Å; M475-C533 HydrophobicContact CE-CB 4.06Å; M475-C533 HydrophobicContact CG-CB 4.35Å; V529-C533 WeakPolarHBondContact O-CB 3.31Å; V529-C533 PolarHBondContact O-N 3Å; I530-C533 PolarHBondContact O-N 3.43Å; C533-S535 VanDerWaalsContact C-N 3.29Å; C533-S535 PolarHBondContact O-N 3.43Å; C533-I536 PolarHBondContact O-N 3.34Å; C533-H537 WeakPolarHBondContact O-CB 3.38Å; C533-H537 PolarHBondContact O-N 2.9Å |
| 534 | I | 90.7 | Very high | 89.2 | Confident | 97 Ų | 97 | 63.9 Ų | 63.9 | 50% | 0.497 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -60.5 | -41.9 | 177.3 | -67.6 | 170.1 | 0 | 0 | 0 | 110.6 | I530 V531 H537 R538 | I530-I534 HydrophobicContact CG2-CD1 3.84Å; I530-I534 HydrophobicContact CG2-CG1 4.46Å; I530-I534 WeakPolarHBondContact O-CG1 3.43Å; I530-I534 PolarHBondContact O-N 3.37Å; V531-I534 PolarHBondContact O-N 3.21Å; I534-H537 PolarHBondContact O-N 2.85Å; I534-R538 HydrophobicContact CG2-CG 4.31Å; I534-R538 WeakPolarHBondContact O-CB 3.19Å; I534-R538 WeakPolarHBondContact O-CG 3.17Å; I534-R538 PolarHBondContact O-N 3.26Å |
| 535 | S | 91.3 | Very high | 88.9 | Confident | 71 Ų | 71 | 58.7 Ų | 58.7 | 50% | 0.497 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -64.2 | -44.6 | 178.6 | -59 | 0 | 0 | 0 | 0 | 111.9 | V531 M532 C533 Y539 | V531-S535 WeakPolarHBondContact O-CB 3.3Å; V531-S535 PolarHBondContact O-N 3.47Å; V531-S535 PolarHBondContact O-OG 2.95Å; M532-S535 PolarHBondContact O-N 2.86Å; C533-S535 VanDerWaalsContact C-N 3.29Å; C533-S535 PolarHBondContact O-N 3.43Å; S535-Y539 VanDerWaalsContact O-CB 3.24Å; S535-Y539 WeakPolarHBondContact O-CB 3.11Å; S535-Y539 PolarHBondContact O-N 2.98Å |
| 536 | I | 89.4 | Confident | 88.8 | Confident | 31 Ų | 31 | 56.6 Ų | 56.6 | 16% | 0.159 | 28% | 0.282 | C | S | . | . | H | α-helix | trans | -62.4 | -47.7 | 175.8 | -69.2 | 167.2 | 0 | 0 | 0 | 110.3 | A99 V102 M532 C533 Y539 I540 | A99-I536 HydrophobicContact CB-CG2 4.18Å; V102-I536 HydrophobicContact CG1-CD1 4.27Å; M532-I536 HydrophobicContact CE-CD1 3.95Å; M532-I536 HydrophobicContact CG-CD1 3.9Å; M532-I536 VanDerWaalsContact O-CG1 3.3Å; M532-I536 WeakPolarHBondContact O-CG1 3.36Å; M532-I536 PolarHBondContact O-N 2.81Å; C533-I536 PolarHBondContact O-N 3.34Å; I536-Y539 PolarHBondContact O-N 3.43Å; I536-I540 HydrophobicContact CG2-CD1 3.73Å; I536-I540 VanDerWaalsContact O-CG1 3.27Å; I536-I540 WeakPolarHBondContact O-CG1 3.37Å; I536-I540 PolarHBondContact O-N 3.36Å |
| 537 | H | 88.8 | Confident | 88.5 | Confident | 30 Ų | 30 | 63.1 Ų | 63.1 | 14% | 0.139 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -60.8 | -49.8 | -180 | 178.2 | 65.6 | 0 | 0 | 0 | 111.9 | F96 A99 C533 I534 Y539 I540 E541 | F96-H537 AromaticContact CD1-CE1 3.69Å; F96-H537 AromaticContact CE1-CE1 3.42Å; F96-H537 VanDerWaalsContact CE1-CE1 3.42Å; F96-H537 WeakPolarHBondContact CE1-CE1 3.4Å; F96-H537 AromaticContact CE1-NE2 3.84Å; F96-H537 AromaticContact CZ-CE1 3.88Å; A99-H537 HydrophobicContact CB-CB 4.34Å; C533-H537 WeakPolarHBondContact O-CB 3.38Å; C533-H537 PolarHBondContact O-N 2.9Å; I534-H537 PolarHBondContact O-N 2.85Å; H537-Y539 VanDerWaalsContact C-N 3.32Å; H537-Y539 PolarHBondContact O-N 3.39Å; H537-I540 PolarHBondContact O-N 2.99Å; H537-E541 PolarHBondContact O-N 3.47Å |
| 538 | R | 88.9 | Confident | 88.1 | Confident | 148 Ų | 148 | 65 Ų | 65 | 56% | 0.558 | 32% | 0.316 | S | S | * | . | H | α-helix | trans | -62.5 | -36.6 | 177 | -73.6 | -60.8 | -169.6 | 179 | -0.3 | 113 | I534 E541 Y542 | I534-R538 HydrophobicContact CG2-CG 4.31Å; I534-R538 WeakPolarHBondContact O-CB 3.19Å; I534-R538 WeakPolarHBondContact O-CG 3.17Å; I534-R538 PolarHBondContact O-N 3.26Å; R538-E541 VanDerWaalsContact CD-OE2 3.25Å; R538-E541 WeakPolarHBondContact CD-OE2 3.48Å; R538-E541 IonicContact CZ-OE2 3.05Å; R538-E541 IonicContact NE-OE2 2.62Å; R538-E541 IonicContact NH1-OE1 2.92Å; R538-E541 PolarHBondContact NH1-OE1 2.99Å; R538-E541 IonicContact NH1-OE2 3.74Å; R538-E541 PolarHBondContact NH1-OE2 3.41Å; R538-Y542 WeakPolarHBondContact O-CB 3.47Å; R538-Y542 PolarHBondContact O-N 3.25Å |
| 539 | Y | 89.9 | Confident | 87.9 | Confident | 81 Ų | 81 | 64.9 Ų | 64.9 | 32% | 0.318 | 31% | 0.306 | S | S | . | . | H | α-helix | trans | -63.3 | -44.8 | 175.4 | -179 | -92.7 | 0 | 0 | 0 | 111.6 | S535 I536 H537 Y542 R543 | S535-Y539 VanDerWaalsContact O-CB 3.24Å; S535-Y539 WeakPolarHBondContact O-CB 3.11Å; S535-Y539 PolarHBondContact O-N 2.98Å; I536-Y539 PolarHBondContact O-N 3.43Å; H537-Y539 VanDerWaalsContact C-N 3.32Å; H537-Y539 PolarHBondContact O-N 3.39Å; Y539-Y542 PolarHBondContact O-N 2.85Å; Y539-R543 HydrophobicContact CD1-CG 4.19Å; Y539-R543 HydrophobicContact CE1-CG 3.75Å; Y539-R543 HydrophobicContact CE2-CG 4.45Å; Y539-R543 WeakPolarHBondContact O-CB 3.37Å; Y539-R543 WeakPolarHBondContact O-CG 3.09Å; Y539-R543 PolarHBondContact O-N 2.58Å; Y539-R543 PolarHBondContact OH-NE 3.47Å; Y539-R543 PolarHBondContact OH-NH2 2.75Å |
| 540 | I | 88.1 | Confident | 87.6 | Confident | 1 Ų | 1 | 66.6 Ų | 66.6 | 1% | 0.005 | 33% | 0.326 | C | S | . | . | H | α-helix | trans | -65.2 | -44.8 | 178.3 | -64.9 | 164.6 | 0 | 0 | 0 | 110.5 | E95 A99 L426 I427 I536 H537 Y542 R543 G544 | E95-I540 HydrophobicContact CB-CG2 4.36Å; E95-I540 HydrophobicContact CG-CG2 4.35Å; A99-I540 HydrophobicContact CB-CD1 4.39Å; L426-I540 HydrophobicContact CB-CG2 4.09Å; L426-I540 HydrophobicContact CD1-CG2 4.22Å; L426-I540 HydrophobicContact CD2-CG2 4.23Å; L426-I540 HydrophobicContact CG-CG2 4.42Å; I427-I540 HydrophobicContact CD1-CD1 4.24Å; I427-I540 HydrophobicContact CD1-CG1 4.3Å; I427-I540 HydrophobicContact CG1-CD1 4.48Å; I427-I540 HydrophobicContact CG1-CG1 4.08Å; I536-I540 HydrophobicContact CG2-CD1 3.73Å; I536-I540 VanDerWaalsContact O-CG1 3.27Å; I536-I540 WeakPolarHBondContact O-CG1 3.37Å; I536-I540 PolarHBondContact O-N 3.36Å; H537-I540 PolarHBondContact O-N 2.99Å; I540-Y542 PolarHBondContact O-N 3.3Å; I540-R543 PolarHBondContact O-N 3.1Å; I540-G544 PolarHBondContact O-N 3.19Å |
| 541 | E | 86.2 | Confident | 87.2 | Confident | 37 Ų | 37 | 70.5 Ų | 70.5 | 17% | 0.173 | 34% | 0.343 | C | S | . | . | H | α-helix | trans | -56.1 | -49.4 | 175.8 | -165.1 | -164.1 | 169.3 | 0 | 0 | 111.1 | E95 H537 R538 R543 G544 A545 L556 | E95-E541 HydrophobicContact CG-CB 4.4Å; H537-E541 PolarHBondContact O-N 3.47Å; R538-E541 VanDerWaalsContact CD-OE2 3.25Å; R538-E541 WeakPolarHBondContact CD-OE2 3.48Å; R538-E541 IonicContact CZ-OE2 3.05Å; R538-E541 IonicContact NE-OE2 2.62Å; R538-E541 IonicContact NH1-OE1 2.92Å; R538-E541 PolarHBondContact NH1-OE1 2.99Å; R538-E541 IonicContact NH1-OE2 3.74Å; R538-E541 PolarHBondContact NH1-OE2 3.41Å; E541-R543 PolarHBondContact O-N 3.32Å; E541-G544 PolarHBondContact O-N 3.26Å; E541-A545 WeakPolarHBondContact O-CB 3.47Å; E541-A545 PolarHBondContact O-N 3.39Å; E541-L556 HydrophobicContact CB-CD2 4.41Å; E541-L556 HydrophobicContact CG-CD2 3.57Å |
| 542 | Y | 87 | Confident | 86.5 | Confident | 91 Ų | 91 | 66.8 Ų | 66.8 | 36% | 0.357 | 32% | 0.321 | S | S | . | . | H | α-helix | trans | -61.1 | -41.5 | 177.6 | 175 | -94.5 | 0 | 0 | 0 | 112.8 | R538 Y539 I540 K546 T553 L556 | R538-Y542 WeakPolarHBondContact O-CB 3.47Å; R538-Y542 PolarHBondContact O-N 3.25Å; Y539-Y542 PolarHBondContact O-N 2.85Å; I540-Y542 PolarHBondContact O-N 3.3Å; Y542-K546 HydrophobicContact CE1-CD 4.49Å; Y542-K546 WeakPolarHBondContact O-CB 3.41Å; Y542-K546 PolarHBondContact O-N 3.27Å; Y542-T553 HydrophobicContact CE2-CG2 4.12Å; Y542-L556 HydrophobicContact CD2-CD1 4.41Å |
| 543 | R | 86.5 | Confident | 86.2 | Confident | 83 Ų | 83 | 67.9 Ų | 67.9 | 31% | 0.313 | 33% | 0.333 | S | S | . | . | H | α-helix | trans | -71.2 | -39.3 | 178.3 | -75.9 | -64.3 | -165.1 | 173.2 | 0.8 | 112.2 | Y539 I540 E541 K546 K547 | Y539-R543 HydrophobicContact CD1-CG 4.19Å; Y539-R543 HydrophobicContact CE1-CG 3.75Å; Y539-R543 HydrophobicContact CE2-CG 4.45Å; Y539-R543 WeakPolarHBondContact O-CB 3.37Å; Y539-R543 WeakPolarHBondContact O-CG 3.09Å; Y539-R543 PolarHBondContact O-N 2.58Å; Y539-R543 PolarHBondContact OH-NE 3.47Å; Y539-R543 PolarHBondContact OH-NH2 2.75Å; I540-R543 PolarHBondContact O-N 3.1Å; E541-R543 PolarHBondContact O-N 3.32Å; R543-K546 PolarHBondContact O-N 3.07Å; R543-K547 WeakPolarHBondContact O-CB 3.24Å; R543-K547 PolarHBondContact O-N 3.39Å |
| 544 | G | 83.4 | Confident | 86 | Confident | 24 Ų | 24 | 73.6 Ų | 73.6 | 25% | 0.247 | 36% | 0.359 | C | S | . | . | H | α-helix | trans | -56.9 | -53 | 172.5 | 0 | 0 | 0 | 0 | 0 | 110.6 | I540 E541 K546 K547 E548 | I540-G544 PolarHBondContact O-N 3.19Å; E541-G544 PolarHBondContact O-N 3.26Å; G544-K546 VanDerWaalsContact C-N 3.31Å; G544-K546 PolarHBondContact O-N 3.04Å; G544-K547 PolarHBondContact O-N 3.18Å; G544-K547 VanDerWaalsContact O-N 3.1Å; G544-E548 PolarHBondContact O-N 2.95Å |
| 545 | A | 83.4 | Confident | 85.5 | Confident | 3 Ų | 3 | 69 Ų | 69 | 3% | 0.025 | 34% | 0.335 | C | S | . | . | H | α-helix | trans | -58.9 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 113.2 | E541 W549 L556 | E541-A545 WeakPolarHBondContact O-CB 3.47Å; E541-A545 PolarHBondContact O-N 3.39Å; A545-W549 WeakPolarHBondContact O-CB 3.43Å; A545-W549 PolarHBondContact O-N 3.44Å; A545-L556 HydrophobicContact CB-CD2 3.72Å; A545-L556 HydrophobicContact CB-CG 3.83Å |
| 546 | K | 86.4 | Confident | 85.1 | Confident | 90 Ų | 90 | 67.8 Ų | 67.8 | 39% | 0.391 | 32% | 0.323 | S | S | . | . | H | α-helix | trans | -66.7 | -37.4 | 176 | -174.1 | 174.7 | 178.3 | 172.7 | 0 | 112.5 | Y542 R543 G544 G550 | Y542-K546 HydrophobicContact CE1-CD 4.49Å; Y542-K546 WeakPolarHBondContact O-CB 3.41Å; Y542-K546 PolarHBondContact O-N 3.27Å; R543-K546 PolarHBondContact O-N 3.07Å; G544-K546 VanDerWaalsContact C-N 3.31Å; G544-K546 PolarHBondContact O-N 3.04Å; K546-G550 CarbonylContact O-C 3.53Å; K546-G550 WeakPolarHBondContact O-CA 3.48Å; K546-G550 PolarHBondContact O-N 3Å |
| 547 | K | 83.6 | Confident | 85 | Confident | 138 Ų | 138 | 69.3 Ų | 69.3 | 60% | 0.6 | 34% | 0.341 | S | S | * | . | H | α-helix | trans | -70.5 | -41 | 178.6 | -175.7 | 173 | 176.5 | 169.7 | 0 | 111.1 | E425 R543 G544 | E425-K547 IonicContact OE2-NZ 2.73Å; E425-K547 PolarHBondContact OE2-NZ 3.42Å; R543-K547 WeakPolarHBondContact O-CB 3.24Å; R543-K547 PolarHBondContact O-N 3.39Å; G544-K547 PolarHBondContact O-N 3.18Å; G544-K547 VanDerWaalsContact O-N 3.1Å |
| 548 | E | 82.9 | Confident | 85 | Confident | 126 Ų | 126 | 71.8 Ų | 71.8 | 59% | 0.589 | 35% | 0.354 | S | S | * | . | H | α-helix | trans | -75.2 | -43.7 | -178.8 | -169.4 | 172.7 | -177.8 | 0 | 0 | 112.6 | G544 | G544-E548 PolarHBondContact O-N 2.95Å |
| 549 | W | 86.5 | Confident | 84.7 | Confident | 95 Ų | 95 | 66.8 Ų | 66.8 | 36% | 0.36 | 34% | 0.34 | S | S | . | . | H | α-helix | trans | -109.5 | 1.5 | -171.9 | -58.7 | 98.6 | 0 | 0 | 0 | 114.8 | A545 H551 G555 L558 T559 | A545-W549 WeakPolarHBondContact O-CB 3.43Å; A545-W549 PolarHBondContact O-N 3.44Å; W549-H551 PolarHBondContact O-N 3.13Å; W549-G555 VanDerWaalsContact CD1-CA 3.47Å; W549-L558 HydrophobicContact CB-CD1 4.39Å; W549-L558 HydrophobicContact CD2-CB 3.8Å; W549-L558 HydrophobicContact CD2-CD1 3.87Å; W549-L558 HydrophobicContact CD2-CG 4.49Å; W549-L558 HydrophobicContact CE3-CB 4.07Å; W549-L558 HydrophobicContact CE3-CD1 3.57Å; W549-L558 HydrophobicContact CE3-CG 4.39Å; W549-L558 HydrophobicContact CG-CB 4.29Å; W549-L558 HydrophobicContact CG-CD1 4.24Å; W549-L558 HydrophobicContact CH2-CB 4.28Å; W549-L558 HydrophobicContact CZ2-CB 4.03Å; W549-L558 HydrophobicContact CZ3-CB 4.3Å; W549-L558 HydrophobicContact CZ3-CD1 4.14Å; W549-T559 PolarHBondContact NE1-OG1 3.12Å |
| 550 | G | 84 | Confident | 84.6 | Confident | 50 Ų | 50 | 65.6 Ų | 65.6 | 52% | 0.515 | 35% | 0.347 | S | S | . | . | S | Bend | trans | 75.3 | -28.9 | -176 | 0 | 0 | 0 | 0 | 0 | 114.9 | K546 | K546-G550 CarbonylContact O-C 3.53Å; K546-G550 WeakPolarHBondContact O-CA 3.48Å; K546-G550 PolarHBondContact O-N 3Å |
| 551 | H | 82.1 | Confident | 84.6 | Confident | 122 Ų | 122 | 67.8 Ų | 67.8 | 57% | 0.565 | 37% | 0.366 | S | S | * | . | S | Bend | trans | -119.5 | 129.5 | 177 | -69.9 | -70.2 | 0 | 0 | 0 | 111.1 | W549 Q554 G555 | W549-H551 PolarHBondContact O-N 3.13Å; H551-Q554 HydrophobicContact CB-CB 4.13Å; H551-G555 WeakPolarHBondContact O-CA 3.19Å; H551-G555 PolarHBondContact O-N 2.91Å |
| 552 | G | 78.7 | Confident | 84.6 | Confident | 4 Ų | 4 | 70.3 Ų | 70.3 | 4% | 0.041 | 38% | 0.377 | C | S | . | . | H | α-helix | trans | -65.4 | -58.5 | -175.4 | 0 | 0 | 0 | 0 | 0 | 114.1 | G555 L556 | G552-G555 PolarHBondContact O-N 3.2Å; G552-L556 WeakPolarHBondContact O-CG 3.37Å; G552-L556 PolarHBondContact O-N 3.37Å |
| 553 | T | 82.5 | Confident | 84.3 | Confident | 100 Ų | 100 | 70.7 Ų | 70.7 | 61% | 0.613 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -69.6 | -43.9 | -175 | 51.9 | 0 | 0 | 0 | 0 | 113.3 | Y542 G555 L556 A557 | Y542-T553 HydrophobicContact CE2-CG2 4.12Å; T553-G555 VanDerWaalsContact C-N 3.28Å; T553-L556 PolarHBondContact O-N 3.28Å; T553-A557 PolarHBondContact O-N 3.15Å |
| 554 | Q | 84.8 | Confident | 84.2 | Confident | 123 Ų | 123 | 69.8 Ų | 69.8 | 58% | 0.575 | 39% | 0.385 | S | S | * | . | H | α-helix | trans | -65.4 | -35.9 | 173.1 | -69 | -178.1 | -4.2 | 0 | 0 | 111 | H551 L556 A557 L558 | H551-Q554 HydrophobicContact CB-CB 4.13Å; Q554-L556 PolarHBondContact O-N 3.17Å; Q554-A557 PolarHBondContact O-N 3.39Å; Q554-L558 WeakPolarHBondContact O-CG 3.27Å; Q554-L558 PolarHBondContact O-N 3.01Å |
| 555 | G | 81.7 | Confident | 84.3 | Confident | 0 Ų | 0 | 71 Ų | 71 | 0% | 0 | 39% | 0.385 | C | S | . | . | H | α-helix | trans | -62.1 | -39.4 | 174.8 | 0 | 0 | 0 | 0 | 0 | 112.9 | W549 H551 G552 T553 A557 L558 T559 | W549-G555 VanDerWaalsContact CD1-CA 3.47Å; H551-G555 WeakPolarHBondContact O-CA 3.19Å; H551-G555 PolarHBondContact O-N 2.91Å; G552-G555 PolarHBondContact O-N 3.2Å; T553-G555 VanDerWaalsContact C-N 3.28Å; G555-A557 PolarHBondContact O-N 3.49Å; G555-L558 PolarHBondContact O-N 3.27Å; G555-T559 WeakPolarHBondContact O-CB 3.25Å; G555-T559 PolarHBondContact O-N 3.28Å; G555-T559 PolarHBondContact O-OG1 2.62Å |
| 556 | L | 83 | Confident | 84.2 | Confident | 47 Ų | 47 | 76 Ų | 76 | 25% | 0.246 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -61.2 | -45.5 | 174.1 | -70.2 | 171.5 | 0 | 0 | 0 | 111 | E541 Y542 A545 G552 T553 Q554 L558 T559 A560 | E541-L556 HydrophobicContact CB-CD2 4.41Å; E541-L556 HydrophobicContact CG-CD2 3.57Å; Y542-L556 HydrophobicContact CD2-CD1 4.41Å; A545-L556 HydrophobicContact CB-CD2 3.72Å; A545-L556 HydrophobicContact CB-CG 3.83Å; G552-L556 WeakPolarHBondContact O-CG 3.37Å; G552-L556 PolarHBondContact O-N 3.37Å; T553-L556 PolarHBondContact O-N 3.28Å; Q554-L556 PolarHBondContact O-N 3.17Å; L556-L558 PolarHBondContact O-N 3.43Å; L556-T559 PolarHBondContact O-N 3.32Å; L556-A560 WeakPolarHBondContact O-CB 3.39Å; L556-A560 PolarHBondContact O-N 3.13Å |
| 557 | A | 87.4 | Confident | 83.7 | Confident | 63 Ų | 63 | 77.8 Ų | 77.8 | 52% | 0.521 | 42% | 0.419 | S | S | . | . | H | α-helix | trans | -63.7 | -39.7 | 177 | 0 | 0 | 0 | 0 | 0 | 112.4 | T553 Q554 G555 A561 | T553-A557 PolarHBondContact O-N 3.15Å; Q554-A557 PolarHBondContact O-N 3.39Å; G555-A557 PolarHBondContact O-N 3.49Å; A557-A561 WeakPolarHBondContact O-CB 3.39Å; A557-A561 PolarHBondContact O-N 3.31Å |
| 558 | L | 88.4 | Confident | 83.5 | Confident | 82 Ų | 82 | 75.4 Ų | 75.4 | 43% | 0.429 | 41% | 0.412 | S | S | . | . | H | α-helix | trans | -67.5 | -41.5 | 176.5 | -73.5 | 170.5 | 0 | 0 | 0 | 112.1 | W549 Q554 G555 L556 A561 H562 | W549-L558 HydrophobicContact CB-CD1 4.39Å; W549-L558 HydrophobicContact CD2-CB 3.8Å; W549-L558 HydrophobicContact CD2-CD1 3.87Å; W549-L558 HydrophobicContact CD2-CG 4.49Å; W549-L558 HydrophobicContact CE3-CB 4.07Å; W549-L558 HydrophobicContact CE3-CD1 3.57Å; W549-L558 HydrophobicContact CE3-CG 4.39Å; W549-L558 HydrophobicContact CG-CB 4.29Å; W549-L558 HydrophobicContact CG-CD1 4.24Å; W549-L558 HydrophobicContact CH2-CB 4.28Å; W549-L558 HydrophobicContact CZ2-CB 4.03Å; W549-L558 HydrophobicContact CZ3-CB 4.3Å; W549-L558 HydrophobicContact CZ3-CD1 4.14Å; Q554-L558 WeakPolarHBondContact O-CG 3.27Å; Q554-L558 PolarHBondContact O-N 3.01Å; G555-L558 PolarHBondContact O-N 3.27Å; L556-L558 PolarHBondContact O-N 3.43Å; L558-A561 PolarHBondContact O-N 3.22Å; L558-H562 VanDerWaalsContact O-CB 3.29Å; L558-H562 WeakPolarHBondContact O-CB 3.47Å; L558-H562 PolarHBondContact O-N 2.91Å |
| 559 | T | 82.9 | Confident | 82.8 | Confident | 42 Ų | 42 | 74.9 Ų | 74.9 | 26% | 0.258 | 41% | 0.41 | S | S | . | . | H | α-helix | trans | -63.5 | -44.3 | 176.7 | -52.3 | 0 | 0 | 0 | 0 | 110.6 | W549 G555 L556 A561 H562 Y563 | W549-T559 PolarHBondContact NE1-OG1 3.12Å; G555-T559 WeakPolarHBondContact O-CB 3.25Å; G555-T559 PolarHBondContact O-N 3.28Å; G555-T559 PolarHBondContact O-OG1 2.62Å; L556-T559 PolarHBondContact O-N 3.32Å; T559-A561 PolarHBondContact O-N 3.1Å; T559-H562 PolarHBondContact O-N 3.47Å; T559-Y563 WeakPolarHBondContact O-CB 3.2Å; T559-Y563 PolarHBondContact O-N 3.33Å |
| 560 | A | 86.4 | Confident | 81.8 | Confident | 56 Ų | 56 | 76.6 Ų | 76.6 | 46% | 0.463 | 43% | 0.426 | S | S | . | . | H | α-helix | trans | -63.2 | -40.3 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.3 | L556 S564 | L556-A560 WeakPolarHBondContact O-CB 3.39Å; L556-A560 PolarHBondContact O-N 3.13Å; A560-S564 VanDerWaalsContact O-CB 3.31Å; A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.36Å; A560-S564 PolarHBondContact O-OG 3.32Å |
| 561 | A | 88.6 | Confident | 81 | Confident | 48 Ų | 48 | 81.4 Ų | 81.4 | 40% | 0.397 | 43% | 0.433 | S | S | . | . | H | α-helix | trans | -65.8 | -45 | 175.8 | 0 | 0 | 0 | 0 | 0 | 111.5 | A557 L558 T559 S564 L565 | A557-A561 WeakPolarHBondContact O-CB 3.39Å; A557-A561 PolarHBondContact O-N 3.31Å; L558-A561 PolarHBondContact O-N 3.22Å; T559-A561 PolarHBondContact O-N 3.1Å; A561-S564 PolarHBondContact O-N 2.98Å; A561-L565 VanDerWaalsContact O-CG 3.31Å; A561-L565 WeakPolarHBondContact O-CG 3.45Å; A561-L565 PolarHBondContact O-N 3.25Å |
| 562 | H | 85.8 | Confident | 80.1 | Confident | 89 Ų | 89 | 81.6 Ų | 81.6 | 41% | 0.412 | 44% | 0.438 | S | S | . | . | H | α-helix | trans | -61 | -47.7 | 177 | 180 | -140.5 | 0 | 0 | 0 | 111.7 | L558 T559 S564 L565 L566 | L558-H562 VanDerWaalsContact O-CB 3.29Å; L558-H562 WeakPolarHBondContact O-CB 3.47Å; L558-H562 PolarHBondContact O-N 2.91Å; T559-H562 PolarHBondContact O-N 3.47Å; H562-S564 VanDerWaalsContact C-N 3.32Å; H562-S564 PolarHBondContact O-N 3.45Å; H562-L565 PolarHBondContact O-N 2.95Å; H562-L566 WeakPolarHBondContact O-CG 3.27Å; H562-L566 PolarHBondContact O-N 2.97Å |
| 563 | Y | 81 | Confident | 79.5 | Confident | 99 Ų | 99 | 84.7 Ų | 84.7 | 39% | 0.388 | 45% | 0.453 | S | S | . | . | H | α-helix | trans | -61.6 | -41.3 | 176.4 | -173.3 | -98.9 | 0 | 0 | 0 | 111.9 | T559 L565 L566 K567 | T559-Y563 WeakPolarHBondContact O-CB 3.2Å; T559-Y563 PolarHBondContact O-N 3.33Å; Y563-L565 VanDerWaalsContact C-N 3.34Å; Y563-L565 PolarHBondContact O-N 2.99Å; Y563-L566 PolarHBondContact O-N 3.03Å; Y563-K567 WeakPolarHBondContact O-CB 3.32Å; Y563-K567 PolarHBondContact O-N 3.41Å |
| 564 | S | 84.8 | Confident | 78.7 | Confident | 65 Ų | 65 | 83.8 Ų | 83.8 | 46% | 0.455 | 44% | 0.441 | S | S | . | . | H | α-helix | trans | -63.6 | -40.1 | 176.3 | -61.3 | 0 | 0 | 0 | 0 | 111.9 | A560 A561 H562 K567 I568 | A560-S564 VanDerWaalsContact O-CB 3.31Å; A560-S564 WeakPolarHBondContact O-CB 3.37Å; A560-S564 PolarHBondContact O-N 3.36Å; A560-S564 PolarHBondContact O-OG 3.32Å; A561-S564 PolarHBondContact O-N 2.98Å; H562-S564 VanDerWaalsContact C-N 3.32Å; H562-S564 PolarHBondContact O-N 3.45Å; S564-K567 PolarHBondContact O-N 2.77Å; S564-I568 VanDerWaalsContact O-CG1 3.31Å; S564-I568 WeakPolarHBondContact O-CG1 3.47Å; S564-I568 PolarHBondContact O-N 3.44Å |
| 565 | L | 85.3 | Confident | 77.5 | Confident | 48 Ų | 48 | 78.5 Ų | 78.5 | 25% | 0.251 | 42% | 0.417 | S | S | . | . | H | α-helix | trans | -67.6 | -43.7 | 176.5 | -72.8 | 170 | 0 | 0 | 0 | 111.9 | A561 H562 Y563 K567 I568 I674 L677 | A561-L565 VanDerWaalsContact O-CG 3.31Å; A561-L565 WeakPolarHBondContact O-CG 3.45Å; A561-L565 PolarHBondContact O-N 3.25Å; H562-L565 PolarHBondContact O-N 2.95Å; Y563-L565 VanDerWaalsContact C-N 3.34Å; Y563-L565 PolarHBondContact O-N 2.99Å; L565-K567 VanDerWaalsContact C-N 3.26Å; L565-K567 PolarHBondContact O-N 3.43Å; L565-I568 CarbonylContact O-C 3.34Å; L565-I568 PolarHBondContact O-N 3.16Å; L565-I568 VanDerWaalsContact O-N 3.11Å; L565-I674 HydrophobicContact CD1-CG2 4.34Å; L565-L677 HydrophobicContact CD2-CB 3.78Å; L565-L677 HydrophobicContact CD2-CD2 4.23Å |
| 566 | L | 81.5 | Confident | 76.7 | Confident | 109 Ų | 109 | 80.8 Ų | 80.8 | 57% | 0.571 | 43% | 0.428 | S | S | * | . | H | α-helix | trans | -63.5 | -32.5 | 176.2 | -72.6 | 175.5 | 0 | 0 | 0 | 112.8 | H562 Y563 I568 | H562-L566 WeakPolarHBondContact O-CG 3.27Å; H562-L566 PolarHBondContact O-N 2.97Å; Y563-L566 PolarHBondContact O-N 3.03Å; L566-I568 VanDerWaalsContact C-N 3.3Å |
| 567 | K | 75.9 | Confident | 76 | Confident | 128 Ų | 128 | 83.9 Ų | 83.9 | 56% | 0.557 | 44% | 0.444 | S | S | * | . | H | α-helix | trans | -69.5 | -30.7 | 175.3 | -171.5 | 175.4 | -176.5 | 176.6 | 0 | 112.2 | Y563 S564 L565 E569 | Y563-K567 WeakPolarHBondContact O-CB 3.32Å; Y563-K567 PolarHBondContact O-N 3.41Å; S564-K567 PolarHBondContact O-N 2.77Å; L565-K567 VanDerWaalsContact C-N 3.26Å; L565-K567 PolarHBondContact O-N 3.43Å; K567-E569 VanDerWaalsContact C-N 3.27Å; K567-E569 PolarHBondContact O-N 2.92Å |
| 568 | I | 79.1 | Confident | 75.6 | Confident | 88 Ų | 88 | 81.8 Ų | 81.8 | 45% | 0.451 | 42% | 0.423 | S | S | . | . | S | Bend | trans | -79.8 | 84 | 170.3 | -58.3 | 162.9 | 0 | 0 | 0 | 106.2 | S564 L565 L566 | S564-I568 VanDerWaalsContact O-CG1 3.31Å; S564-I568 WeakPolarHBondContact O-CG1 3.47Å; S564-I568 PolarHBondContact O-N 3.44Å; L565-I568 CarbonylContact O-C 3.34Å; L565-I568 PolarHBondContact O-N 3.16Å; L565-I568 VanDerWaalsContact O-N 3.11Å; L566-I568 VanDerWaalsContact C-N 3.3Å |
| 569 | E | 68.3 | Low | 75.4 | Confident | 114 Ų | 114 | 80.6 Ų | 80.6 | 53% | 0.533 | 41% | 0.413 | S | S | . | . | trans | -49.8 | 150 | 171.4 | -68.7 | 178.4 | 160.9 | 0 | 0 | 110.2 | K567 K571 | K567-E569 VanDerWaalsContact C-N 3.27Å; K567-E569 PolarHBondContact O-N 2.92Å; E569-K571 HydrophobicContact CB-CD 4.4Å; E569-K571 HydrophobicContact CB-CG 4.18Å; E569-K571 PolarHBondContact O-N 3.27Å; E569-K571 VanDerWaalsContact OE2-CD 3.28Å; E569-K571 WeakPolarHBondContact OE2-CD 3.19Å; E569-K571 WeakPolarHBondContact OE2-CE 3.45Å; E569-K571 IonicContact OE2-NZ 3.94Å; E569-K571 PolarHBondContact OE2-NZ 3.28Å | ||
| 570 | D | 66.5 | Low | 75.7 | Confident | 131 Ų | 131 | 78.9 Ų | 78.9 | 70% | 0.701 | 40% | 0.402 | S | S | * | . | S | Bend | trans | -68.3 | 35.9 | 173.9 | -77 | -18.3 | 0 | 0 | 0 | 113 | G675 G676 | D570-G675 WeakPolarHBondContact OD1-CA 3.47Å; D570-G676 PolarHBondContact OD1-N 2.92Å |
| 571 | K | 65.6 | Low | 75.8 | Confident | 152 Ų | 152 | 78.1 Ų | 78.1 | 66% | 0.661 | 39% | 0.389 | S | S | * | . | P | Polyproline II helix | trans | -74.4 | 136.9 | 169.2 | -74.3 | 178 | 172.1 | 157.5 | 0 | 108.6 | E569 I573 | E569-K571 HydrophobicContact CB-CD 4.4Å; E569-K571 HydrophobicContact CB-CG 4.18Å; E569-K571 PolarHBondContact O-N 3.27Å; E569-K571 VanDerWaalsContact OE2-CD 3.28Å; E569-K571 WeakPolarHBondContact OE2-CD 3.19Å; E569-K571 WeakPolarHBondContact OE2-CE 3.45Å; E569-K571 IonicContact OE2-NZ 3.94Å; E569-K571 PolarHBondContact OE2-NZ 3.28Å; K571-I573 PolarHBondContact O-N 3.3Å |
| 572 | D | 64.3 | Low | 76 | Confident | 125 Ų | 125 | 75.8 Ų | 75.8 | 67% | 0.668 | 37% | 0.37 | S | S | * | . | P | Polyproline II helix | trans | -56.3 | 135.1 | 172.5 | -74.5 | -43 | 0 | 0 | 0 | 110 | H574 R678 | D572-H574 PolarHBondContact O-N 3.24Å; D572-R678 IonicContact OD1-CZ 3.93Å; D572-R678 IonicContact OD1-NH2 3.04Å; D572-R678 PolarHBondContact OD1-NH2 3.3Å |
| 573 | I | 66.7 | Low | 76.3 | Confident | 69 Ų | 69 | 71.6 Ų | 71.6 | 35% | 0.354 | 35% | 0.351 | S | S | . | . | P | Polyproline II helix | trans | -54.6 | 120.3 | 178.5 | -59.7 | 167.9 | 0 | 0 | 0 | 106.9 | K571 P575 | K571-I573 PolarHBondContact O-N 3.3Å; I573-P575 VanDerWaalsContact O-N 3.12Å |
| 574 | H | 64 | Low | 76.7 | Confident | 81 Ų | 81 | 66.9 Ų | 66.9 | 38% | 0.375 | 33% | 0.332 | S | S | . | . | P | Polyproline II helix | trans | -53.5 | 124.2 | 178.2 | -171.1 | -66.1 | 0 | 0 | 0 | 108.5 | D572 K576 N577 | D572-H574 PolarHBondContact O-N 3.24Å; H574-K576 VanDerWaalsContact CE1-CG 3.49Å; H574-K576 WeakPolarHBondContact CE1-CG 3.44Å; H574-K576 WeakPolarHBondContact ND1-CB 3.47Å; H574-K576 PolarHBondContact ND1-N 3.07Å; H574-K576 PolarHBondContact O-N 3.48Å; H574-K576 VanDerWaalsContact O-N 3.08Å; H574-N577 PolarHBondContact O-N 2.63Å |
| 575 | P | 60.9 | Low | 76.9 | Confident | 12 Ų | 12 | 64.3 Ų | 64.3 | 8% | 0.078 | 31% | 0.313 | C | S | . | . | G | 310 helix | trans | -63 | -30.6 | -163.5 | 23.7 | -34.9 | 0 | 0 | 0 | 112.5 | I573 N577 W578 L829 V924 | I573-P575 VanDerWaalsContact O-N 3.12Å; P575-N577 PolarHBondContact O-N 3.47Å; P575-W578 VanDerWaalsContact O-CB 3.25Å; P575-W578 WeakPolarHBondContact O-CB 3.29Å; P575-W578 PolarHBondContact O-N 3.29Å; P575-L829 HydrophobicContact CG-CD1 3.37Å; P575-V924 CarbonylContact C-O 3.55Å; P575-V924 HydrophobicContact CB-CB 3.86Å; P575-V924 HydrophobicContact CB-CG2 3.96Å; P575-V924 HydrophobicContact CG-CB 4.42Å; P575-V924 HydrophobicContact CG-CG2 4.37Å; P575-V924 CarbonylContact O-C 3.45Å |
| 576 | K | 63.9 | Low | 76.8 | Confident | 49 Ų | 49 | 62.4 Ų | 62.4 | 21% | 0.213 | 30% | 0.303 | C | S | . | . | G | 310 helix | trans | -47.3 | -31.2 | 170.1 | -72.9 | -177 | 162.5 | 162.5 | 0 | 115.6 | H574 L831 D835 V924 T926 | H574-K576 VanDerWaalsContact CE1-CG 3.49Å; H574-K576 WeakPolarHBondContact CE1-CG 3.44Å; H574-K576 WeakPolarHBondContact ND1-CB 3.47Å; H574-K576 PolarHBondContact ND1-N 3.07Å; H574-K576 PolarHBondContact O-N 3.48Å; H574-K576 VanDerWaalsContact O-N 3.08Å; K576-L831 HydrophobicContact CD-CD2 4.03Å; K576-L831 HydrophobicContact CG-CD2 4.29Å; K576-D835 WeakPolarHBondContact CE-OD2 3.34Å; K576-D835 IonicContact NZ-OD2 3.87Å; K576-D835 PolarHBondContact NZ-OD2 2.74Å; K576-V924 VanDerWaalsContact CA-O 3.28Å; K576-V924 WeakPolarHBondContact CA-O 2.99Å; K576-V924 PolarHBondContact N-O 3.24Å; K576-T926 WeakPolarHBondContact CB-OG1 3.18Å; K576-T926 HydrophobicContact CG-CG2 3.86Å; K576-T926 WeakPolarHBondContact CG-OG1 3.48Å; K576-T926 PolarHBondContact O-OG1 3.17Å |
| 577 | N | 68 | Low | 76.5 | Confident | 112 Ų | 112 | 63.1 Ų | 63.1 | 60% | 0.599 | 30% | 0.301 | S | S | * | . | G | 310 helix | trans | -105.9 | 19.5 | -177.5 | -75.5 | -8 | 0 | 0 | 0 | 112.8 | H574 P575 R579 | H574-N577 PolarHBondContact O-N 2.63Å; P575-N577 PolarHBondContact O-N 3.47Å; N577-R579 PolarHBondContact O-N 2.84Å |
| 578 | W | 79.7 | Confident | 75.8 | Confident | 18 Ų | 18 | 59.3 Ų | 59.3 | 7% | 0.068 | 29% | 0.285 | C | S | . | . | trans | -60.1 | 133.1 | 179.2 | -167.8 | 98.6 | 0 | 0 | 0 | 111.3 | P575 P580 N680 C717 L747 L750 E923 I925 | P575-W578 VanDerWaalsContact O-CB 3.25Å; P575-W578 WeakPolarHBondContact O-CB 3.29Å; P575-W578 PolarHBondContact O-N 3.29Å; W578-P580 HydrophobicContact CH2-CB 4.01Å; W578-P580 HydrophobicContact CZ3-CB 4.22Å; W578-P580 HydrophobicContact CZ3-CG 4.49Å; W578-N680 PolarHBondContact NE1-ND2 3.11Å; W578-C717 HydrophobicContact CH2-CB 4.26Å; W578-C717 HydrophobicContact CZ2-CB 4.08Å; W578-L747 HydrophobicContact CH2-CD1 3.67Å; W578-L747 HydrophobicContact CZ3-CD1 3.69Å; W578-L750 HydrophobicContact CE3-CD2 4.14Å; W578-L750 HydrophobicContact CZ3-CD2 4.03Å; W578-E923 HydrophobicContact CD2-CB 4.26Å; W578-E923 HydrophobicContact CD2-CG 3.78Å; W578-E923 VanDerWaalsContact CE2-CG 3.46Å; W578-E923 HydrophobicContact CE3-CG 4.33Å; W578-E923 HydrophobicContact CG-CB 4.37Å; W578-E923 HydrophobicContact CG-CG 4.13Å; W578-E923 HydrophobicContact CH2-CG 4.34Å; W578-E923 HydrophobicContact CZ2-CG 3.78Å; W578-I925 HydrophobicContact CE3-CD1 4.18Å; W578-I925 HydrophobicContact CE3-CG1 4.35Å | ||
| 579 | R | 84.7 | Confident | 74.6 | Confident | 57 Ų | 57 | 60.7 Ų | 60.7 | 22% | 0.215 | 29% | 0.292 | C | S | . | . | trans | -141.3 | 144.5 | 174.9 | -71.1 | -67.1 | -173.1 | -88.1 | 6.3 | 108.5 | N577 Q581 N680 V927 S929 | N577-R579 PolarHBondContact O-N 2.84Å; R579-Q581 PolarHBondContact O-N 3.39Å; R579-N680 PolarHBondContact O-ND2 3.36Å; R579-V927 PolarHBondContact NH1-O 3.42Å; R579-V927 VanDerWaalsContact NH1-O 3.08Å; R579-V927 PolarHBondContact NH2-O 3.4Å; R579-S929 PolarHBondContact NE-O 3Å; R579-S929 PolarHBondContact NH2-O 3.24Å; R579-S929 PolarHBondContact NH2-OG 3.34Å; R579-S929 VanDerWaalsContact NH2-OG 3.09Å | ||
| 580 | P | 88 | Confident | 73.8 | Confident | 6 Ų | 6 | 60.1 Ų | 60.1 | 4% | 0.039 | 29% | 0.292 | C | S | . | . | trans | -69 | 119.2 | -179.1 | 26.8 | -33 | 0 | 0 | 0 | 111 | W578 L582 K608 L754 | W578-P580 HydrophobicContact CH2-CB 4.01Å; W578-P580 HydrophobicContact CZ3-CB 4.22Å; W578-P580 HydrophobicContact CZ3-CG 4.49Å; P580-L582 HydrophobicContact CB-CD2 4.11Å; P580-K608 PolarHBondContact O-NZ 3.36Å; P580-L754 HydrophobicContact CG-CD1 3.6Å | ||
| 581 | Q | 90.2 | Very high | 73.2 | Confident | 40 Ų | 40 | 59.6 Ų | 59.6 | 19% | 0.187 | 30% | 0.296 | C | S | . | . | trans | -105.3 | 108.6 | 170.3 | -52.3 | -54.9 | -17.2 | 0 | 0 | 107.2 | R579 L613 P679 N680 T681 | R579-Q581 PolarHBondContact O-N 3.39Å; Q581-L613 HydrophobicContact CB-CB 4.25Å; Q581-P679 WeakPolarHBondContact O-CA 3.1Å; Q581-N680 PolarHBondContact N-OD1 3.41Å; Q581-N680 PolarHBondContact O-N 2.81Å; Q581-N680 PolarHBondContact O-OD1 3.01Å; Q581-T681 PolarHBondContact O-N 3.04Å | ||
| 582 | L | 92 | Very high | 72.5 | Confident | 0 Ų | 0 | 57.8 Ų | 57.8 | 0% | 0 | 30% | 0.298 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.9 | 133.2 | -161.4 | -61.5 | -178.3 | 0 | 0 | 0 | 111.7 | P580 A604 L607 K608 L613 L614 M615 T681 M683 L719 | P580-L582 HydrophobicContact CB-CD2 4.11Å; L582-A604 HydrophobicContact CD1-CB 3.85Å; L582-L607 HydrophobicContact CD1-CB 4.23Å; L582-L607 HydrophobicContact CD1-CD1 4.32Å; L582-K608 HydrophobicContact CD1-CD 4.13Å; L582-K608 HydrophobicContact CD1-CG 3.67Å; L582-K608 HydrophobicContact CG-CD 4.16Å; L582-K608 HydrophobicContact CG-CG 4.19Å; L582-L613 PolarHBondContact N-O 3.07Å; L582-L614 HydrophobicContact CB-CD1 3.78Å; L582-L614 HydrophobicContact CD1-CD1 4.41Å; L582-M615 PolarHBondContact O-N 3.47Å; L582-T681 CarbonylContact C-O 3.6Å; L582-T681 WeakPolarHBondContact CA-O 3.4Å; L582-T681 HydrophobicContact CD2-CG2 3.61Å; L582-M683 HydrophobicContact CD1-CE 4.49Å; L582-L719 HydrophobicContact CD2-CD1 4.17Å |
| 583 | Q | 91.5 | Very high | 72.1 | Confident | 0 Ų | 0 | 54.5 Ų | 54.5 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.6 | 104.7 | 164.8 | -177.8 | 168.5 | 20.8 | 0 | 0 | 108.7 | Y585 M615 N668 P679 T681 V682 M683 | Q583-Y585 HydrophobicContact CG-CE1 4.44Å; Q583-Y585 HydrophobicContact CG-CE2 4.01Å; Q583-Y585 PolarHBondContact NE2-OH 2.78Å; Q583-M615 CarbonylContact C-O 3.57Å; Q583-M615 VanDerWaalsContact CA-O 3.31Å; Q583-M615 WeakPolarHBondContact CA-O 3.36Å; Q583-N668 PolarHBondContact NE2-ND2 3.15Å; Q583-N668 PolarHBondContact NE2-O 3.43Å; Q583-P679 HydrophobicContact CB-CB 3.72Å; Q583-P679 HydrophobicContact CB-CG 4.1Å; Q583-T681 PolarHBondContact N-O 2.91Å; Q583-V682 WeakPolarHBondContact O-CA 3.38Å; Q583-M683 PolarHBondContact O-N 3.28Å |
| 584 | V | 91 | Very high | 71.7 | Confident | 0 Ų | 0 | 57.1 Ų | 57.1 | 0% | 0 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.2 | 123.6 | -178 | -175.7 | 0 | 0 | 0 | 0 | 109.1 | L586 A604 L614 M615 I616 T617 M683 | V584-L586 HydrophobicContact CG1-CD2 3.9Å; V584-L586 HydrophobicContact CG1-CG 4.31Å; V584-A604 HydrophobicContact CG2-CB 3.48Å; V584-A604 VanDerWaalsContact CG2-CB 3.48Å; V584-L614 HydrophobicContact CG2-CD1 3.68Å; V584-M615 PolarHBondContact N-O 3.5Å; V584-I616 HydrophobicContact CB-CG1 4.19Å; V584-I616 WeakPolarHBondContact O-CA 3.27Å; V584-T617 PolarHBondContact O-N 2.95Å; V584-M683 HydrophobicContact CG2-CB 4.23Å; V584-M683 HydrophobicContact CG2-SD 4.49Å |
| 585 | Y | 88.3 | Confident | 71.6 | Confident | 11 Ų | 11 | 53.9 Ų | 53.9 | 4% | 0.043 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -98.7 | 117 | 175.4 | -74.4 | -64.1 | 0 | 0 | 0 | 110.7 | Q583 T617 F619 M665 N668 T669 V682 M683 L684 | Q583-Y585 HydrophobicContact CG-CE1 4.44Å; Q583-Y585 HydrophobicContact CG-CE2 4.01Å; Q583-Y585 PolarHBondContact NE2-OH 2.78Å; Y585-T617 WeakPolarHBondContact CA-O 3.29Å; Y585-T617 HydrophobicContact CD1-CG2 4.19Å; Y585-T617 HydrophobicContact CE1-CG2 3.92Å; Y585-F619 HydrophobicContact CD1-CD2 4.42Å; Y585-F619 AromaticContact CD1-CE2 3.4Å; Y585-F619 HydrophobicContact CD1-CE2 3.4Å; Y585-F619 AromaticContact CD1-CZ 3.94Å; Y585-F619 HydrophobicContact CD1-CZ 3.94Å; Y585-F619 AromaticContact CE1-CE2 3.47Å; Y585-F619 HydrophobicContact CE1-CE2 3.47Å; Y585-F619 VanDerWaalsContact CE1-CE2 3.47Å; Y585-F619 AromaticContact CE1-CZ 3.49Å; Y585-F619 HydrophobicContact CE1-CZ 3.49Å; Y585-F619 VanDerWaalsContact CE1-CZ 3.49Å; Y585-F619 HydrophobicContact CG-CE2 4.45Å; Y585-M665 HydrophobicContact CD1-SD 4.43Å; Y585-M665 HydrophobicContact CD2-CE 3.49Å; Y585-M665 VanDerWaalsContact CD2-CE 3.49Å; Y585-M665 HydrophobicContact CD2-SD 4.27Å; Y585-M665 HydrophobicContact CE1-CG 4.08Å; Y585-M665 HydrophobicContact CE2-CE 3.63Å; Y585-M665 HydrophobicContact CE2-CG 4.09Å; Y585-M665 HydrophobicContact CE2-SD 4.37Å; Y585-M665 HydrophobicContact CG-CE 4.02Å; Y585-M665 HydrophobicContact CG-SD 4.26Å; Y585-M665 PolarHBondContact OH-O 2.92Å; Y585-N668 WeakPolarHBondContact CE1-ND2 3.28Å; Y585-N668 PolarHBondContact OH-ND2 3.02Å; Y585-N668 VanDerWaalsContact OH-ND2 3.08Å; Y585-T669 WeakPolarHBondContact OH-CA 3.27Å; Y585-T669 PolarHBondContact OH-N 2.77Å; Y585-T669 PolarHBondContact OH-OG1 2.8Å; Y585-V682 HydrophobicContact CD2-CG1 3.54Å; Y585-V682 HydrophobicContact CE2-CG1 3.55Å; Y585-V682 HydrophobicContact CE2-CG2 4.46Å; Y585-M683 PolarHBondContact N-O 3.45Å; Y585-L684 HydrophobicContact CD2-CD1 4.41Å; Y585-L684 HydrophobicContact CD2-CD2 3.85Å; Y585-L684 HydrophobicContact CD2-CG 4Å; Y585-L684 HydrophobicContact CG-CD2 3.98Å |
| 586 | L | 83.9 | Confident | 71.4 | Confident | 9 Ų | 9 | 57.5 Ų | 57.5 | 5% | 0.047 | 30% | 0.299 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 119.4 | 179.7 | -62.3 | -179.7 | 0 | 0 | 0 | 110.9 | V584 F588 L595 E598 L601 I616 T617 S618 | V584-L586 HydrophobicContact CG1-CD2 3.9Å; V584-L586 HydrophobicContact CG1-CG 4.31Å; L586-F588 HydrophobicContact CB-CE2 4.18Å; L586-L595 HydrophobicContact CD1-CD2 4.19Å; L586-E598 HydrophobicContact CD2-CB 4.48Å; L586-L601 HydrophobicContact CD2-CB 4.33Å; L586-I616 HydrophobicContact CD1-CG2 3.41Å; L586-I616 VanDerWaalsContact CD1-CG2 3.41Å; L586-I616 HydrophobicContact CG-CG2 3.95Å; L586-T617 PolarHBondContact N-O 3.44Å; L586-S618 PolarHBondContact O-OG 2.93Å |
| 587 | K | 73.7 | Confident | 71.2 | Confident | 123 Ų | 123 | 60.4 Ų | 60.4 | 54% | 0.535 | 32% | 0.316 | S | S | . | . | P | Polyproline II helix | trans | -93 | 134.3 | 169.8 | -173.4 | 173.9 | -178.7 | 173.5 | 0 | 109.3 | L589 | K587-L589 HydrophobicContact CD-CD1 4.35Å; K587-L589 HydrophobicContact CG-CD1 4.45Å |
| 588 | F | 61.4 | Low | 71.4 | Confident | 48 Ų | 48 | 56.5 Ų | 56.5 | 21% | 0.211 | 29% | 0.294 | C | S | . | . | P | Polyproline II helix | trans | -103.9 | 123.9 | 175 | -69.7 | -107.7 | 0 | 0 | 0 | 106.9 | L586 L595 S618 K636 M639 I640 | L586-F588 HydrophobicContact CB-CE2 4.18Å; F588-L595 HydrophobicContact CE1-CD1 4Å; F588-L595 HydrophobicContact CE1-CD2 4.25Å; F588-L595 HydrophobicContact CE1-CG 4.36Å; F588-L595 HydrophobicContact CZ-CD2 4.05Å; F588-S618 WeakPolarHBondContact CD2-OG 3.41Å; F588-S618 WeakPolarHBondContact CE2-OG 3.5Å; F588-K636 VanDerWaalsContact CD2-NZ 3.28Å; F588-K636 HydrophobicContact CE1-CG 4.46Å; F588-K636 HydrophobicContact CE2-CD 4.41Å; F588-K636 HydrophobicContact CZ-CD 4.47Å; F588-K636 VanDerWaalsContact CZ-CE 3.48Å; F588-K636 HydrophobicContact CZ-CG 4.16Å; F588-M639 HydrophobicContact CE1-CE 3.97Å; F588-I640 HydrophobicContact CE2-CD1 4.28Å; F588-I640 HydrophobicContact CZ-CD1 3.92Å; F588-I640 HydrophobicContact CZ-CG1 3.82Å |
| 589 | L | 54.2 | Low | 71.3 | Confident | 117 Ų | 117 | 56.5 Ų | 56.5 | 61% | 0.613 | 30% | 0.296 | S | S | * | . | S | Bend | trans | -90 | -40.3 | 173.2 | -106.2 | 87.6 | 0 | 0 | 0 | 110.7 | K587 D593 | K587-L589 HydrophobicContact CD-CD1 4.35Å; K587-L589 HydrophobicContact CG-CD1 4.45Å; L589-D593 WeakPolarHBondContact CA-OD2 3.37Å; L589-D593 VanDerWaalsContact CB-OD2 3.29Å; L589-D593 WeakPolarHBondContact CB-OD2 3.44Å; L589-D593 PolarHBondContact N-OD2 3.19Å |
| 590 | L | 51.9 | Low | 71.1 | Confident | 102 Ų | 102 | 53.8 Ų | 53.8 | 53% | 0.534 | 29% | 0.286 | S | S | . | . | S | Bend | trans | -139.1 | 151.7 | -178.2 | -72.9 | 159.4 | 0 | 0 | 0 | 111.4 | T592 D593 | L590-T592 PolarHBondContact O-N 2.8Å; L590-T592 VanDerWaalsContact O-N 3.08Å; L590-D593 PolarHBondContact N-OD2 2.98Å; L590-D593 PolarHBondContact O-N 3.44Å; L590-D593 VanDerWaalsContact O-N 3.13Å |
| 591 | P | 53.2 | Low | 71 | Confident | 120 Ų | 120 | 53.5 Ų | 53.5 | 78% | 0.779 | 29% | 0.285 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -63 | -14 | 178.5 | 20.5 | -27.4 | 0 | 0 | 0 | 114 | ||
| 592 | T | 50.3 | Low | 70.8 | Confident | 114 Ų | 114 | 52 Ų | 52 | 70% | 0.699 | 28% | 0.278 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -103.8 | 7.1 | 178.9 | 51.3 | 0 | 0 | 0 | 0 | 113.8 | L590 N594 | L590-T592 PolarHBondContact O-N 2.8Å; L590-T592 VanDerWaalsContact O-N 3.08Å; T592-N594 PolarHBondContact O-N 3.26Å |
| 593 | D | 56.2 | Low | 70.6 | Confident | 57 Ų | 57 | 52 Ų | 52 | 31% | 0.305 | 28% | 0.278 | S | S | . | . | trans | -64.5 | 120.3 | 179.8 | -76.8 | -21.7 | 0 | 0 | 0 | 110.6 | L589 L590 L595 | L589-D593 WeakPolarHBondContact CA-OD2 3.37Å; L589-D593 VanDerWaalsContact CB-OD2 3.29Å; L589-D593 WeakPolarHBondContact CB-OD2 3.44Å; L589-D593 PolarHBondContact N-OD2 3.19Å; L590-D593 PolarHBondContact N-OD2 2.98Å; L590-D593 PolarHBondContact O-N 3.44Å; L590-D593 VanDerWaalsContact O-N 3.13Å; D593-L595 PolarHBondContact O-N 3.44Å | ||
| 594 | N | 58.4 | Low | 70.5 | Confident | 124 Ų | 124 | 52 Ų | 52 | 66% | 0.663 | 28% | 0.278 | S | S | * | . | trans | -66.6 | 94.1 | 176.3 | -81.4 | -23.4 | 0 | 0 | 0 | 109.9 | T592 I596 N597 | T592-N594 PolarHBondContact O-N 3.26Å; N594-I596 PolarHBondContact O-N 2.94Å; N594-N597 PolarHBondContact O-N 2.7Å | ||
| 595 | L | 61.7 | Low | 70.2 | Confident | 12 Ų | 12 | 52.4 Ų | 52.4 | 6% | 0.063 | 28% | 0.282 | C | S | . | . | G | 310 helix | trans | -53.1 | -17.6 | 173.8 | -82.2 | 122.9 | 0 | 0 | 0 | 114.2 | L586 F588 D593 N597 E598 M639 I640 T643 | L586-L595 HydrophobicContact CD1-CD2 4.19Å; F588-L595 HydrophobicContact CE1-CD1 4Å; F588-L595 HydrophobicContact CE1-CD2 4.25Å; F588-L595 HydrophobicContact CE1-CG 4.36Å; F588-L595 HydrophobicContact CZ-CD2 4.05Å; D593-L595 PolarHBondContact O-N 3.44Å; L595-N597 PolarHBondContact O-N 3.39Å; L595-E598 PolarHBondContact O-N 3.03Å; L595-M639 HydrophobicContact CD1-CG 3.65Å; L595-M639 HydrophobicContact CD1-SD 3.89Å; L595-I640 HydrophobicContact CD2-CG1 4.3Å; L595-T643 HydrophobicContact CB-CG2 3.62Å |
| 596 | I | 57.3 | Low | 70.3 | Confident | 89 Ų | 89 | 51.9 Ų | 51.9 | 46% | 0.456 | 28% | 0.28 | S | S | . | . | G | 310 helix | trans | -60.3 | -30.2 | -179.1 | -58.5 | 174.4 | 0 | 0 | 0 | 111 | N594 T643 L647 | N594-I596 PolarHBondContact O-N 2.94Å; I596-T643 HydrophobicContact CG1-CG2 4.32Å; I596-L647 HydrophobicContact CG2-CD2 4.38Å |
| 597 | N | 60 | Low | 70.5 | Confident | 110 Ų | 110 | 51.9 Ų | 51.9 | 59% | 0.588 | 28% | 0.28 | S | S | * | . | G | 310 helix | trans | -105.6 | 11.2 | -175.9 | -66.1 | -2.2 | 0 | 0 | 0 | 113.5 | N594 L595 T599 | N594-N597 PolarHBondContact O-N 2.7Å; L595-N597 PolarHBondContact O-N 3.39Å; N597-T599 PolarHBondContact O-N 3.39Å |
| 598 | E | 72.8 | Confident | 71 | Confident | 29 Ų | 29 | 47.1 Ų | 47.1 | 14% | 0.136 | 26% | 0.259 | C | S | . | . | trans | -68.2 | 108.6 | 177 | -81.3 | -59.5 | 149.1 | 0 | 0 | 110.7 | L586 L595 S600 L601 V602 R685 | L586-E598 HydrophobicContact CD2-CB 4.48Å; L595-E598 PolarHBondContact O-N 3.03Å; E598-S600 PolarHBondContact O-N 3.45Å; E598-S600 VanDerWaalsContact O-N 3.16Å; E598-L601 HydrophobicContact CB-CB 4.18Å; E598-L601 WeakPolarHBondContact O-CB 3.5Å; E598-L601 PolarHBondContact O-N 3.03Å; E598-V602 WeakPolarHBondContact O-CG2 3.08Å; E598-V602 PolarHBondContact O-N 3.47Å; E598-R685 IonicContact OE1-NH1 2.76Å; E598-R685 PolarHBondContact OE1-NH1 3.3Å; E598-R685 VanDerWaalsContact OE1-NH1 3.15Å; E598-R685 IonicContact OE2-NH1 2.68Å; E598-R685 PolarHBondContact OE2-NH1 2.9Å | ||
| 599 | T | 76.7 | Confident | 71.7 | Confident | 18 Ų | 18 | 47.3 Ų | 47.3 | 11% | 0.11 | 28% | 0.275 | C | S | . | . | H | α-helix | trans | -55.5 | -37.9 | -172.9 | 55.7 | 0 | 0 | 0 | 0 | 112.8 | N597 L603 F725 | N597-T599 PolarHBondContact O-N 3.39Å; T599-L603 WeakPolarHBondContact O-CB 3.28Å; T599-L603 PolarHBondContact O-N 2.86Å; T599-F725 HydrophobicContact CG2-CB 4.44Å; T599-F725 HydrophobicContact CG2-CD2 4.35Å |
| 600 | S | 81.5 | Confident | 72.6 | Confident | 1 Ų | 1 | 43 Ų | 43 | 1% | 0.007 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -68.5 | -37.1 | 178.5 | -58.4 | 0 | 0 | 0 | 0 | 112.5 | E598 A604 R685 P721 | E598-S600 PolarHBondContact O-N 3.45Å; E598-S600 VanDerWaalsContact O-N 3.16Å; S600-A604 WeakPolarHBondContact O-CB 3.38Å; S600-A604 PolarHBondContact O-N 3.38Å; S600-R685 PolarHBondContact OG-N 2.95Å; S600-P721 WeakPolarHBondContact OG-CG 3.26Å |
| 601 | L | 85.2 | Confident | 74 | Confident | 0 Ų | 0 | 45 Ų | 45 | 0% | 0 | 27% | 0.266 | C | S | . | . | H | α-helix | trans | -71.1 | -45.3 | 178.2 | -179 | 61.8 | 0 | 0 | 0 | 110.8 | L586 E598 A604 G605 I616 T643 L647 I649 | L586-L601 HydrophobicContact CD2-CB 4.33Å; E598-L601 HydrophobicContact CB-CB 4.18Å; E598-L601 WeakPolarHBondContact O-CB 3.5Å; E598-L601 PolarHBondContact O-N 3.03Å; L601-A604 PolarHBondContact O-N 2.7Å; L601-G605 PolarHBondContact O-N 3.42Å; L601-I616 HydrophobicContact CD1-CD1 3.4Å; L601-I616 VanDerWaalsContact CD1-CD1 3.4Å; L601-I616 HydrophobicContact CD1-CG1 4.1Å; L601-T643 HydrophobicContact CD2-CG2 4.42Å; L601-L647 HydrophobicContact CD2-CD1 3.77Å; L601-L647 HydrophobicContact CG-CD1 4.2Å; L601-I649 HydrophobicContact CD1-CD1 4.11Å; L601-I649 HydrophobicContact CG-CD1 3.99Å |
| 602 | V | 85.4 | Confident | 75.6 | Confident | 8 Ų | 8 | 42.2 Ų | 42.2 | 5% | 0.048 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -63.6 | -47 | 179.5 | 174.5 | 0 | 0 | 0 | 0 | 110.6 | E598 A604 G605 M606 P726 L728 | E598-V602 WeakPolarHBondContact O-CG2 3.08Å; E598-V602 PolarHBondContact O-N 3.47Å; V602-A604 PolarHBondContact O-N 3.26Å; V602-G605 PolarHBondContact O-N 3.02Å; V602-M606 HydrophobicContact CG1-CE 3.59Å; V602-M606 WeakPolarHBondContact O-CG 3.44Å; V602-M606 PolarHBondContact O-N 3.4Å; V602-P726 WeakPolarHBondContact CG1-O 3.36Å; V602-L728 HydrophobicContact CG1-CD2 4.23Å; V602-L728 HydrophobicContact CG1-CG 4.06Å |
| 603 | L | 88 | Confident | 77.4 | Confident | 0 Ų | 0 | 37.3 Ų | 37.3 | 0% | 0 | 23% | 0.228 | C | C | . | . | H | α-helix | trans | -62.7 | -41 | 176.6 | -177 | 64 | 0 | 0 | 0 | 112.3 | T599 G605 M606 L607 M683 P721 F725 L755 L915 | T599-L603 WeakPolarHBondContact O-CB 3.28Å; T599-L603 PolarHBondContact O-N 2.86Å; L603-G605 VanDerWaalsContact C-N 3.3Å; L603-G605 PolarHBondContact O-N 3.48Å; L603-M606 PolarHBondContact O-N 2.92Å; L603-L607 HydrophobicContact CD1-CG 4.41Å; L603-L607 HydrophobicContact CG-CD1 4.11Å; L603-L607 HydrophobicContact CG-CG 4.45Å; L603-L607 WeakPolarHBondContact O-CG 3.49Å; L603-L607 PolarHBondContact O-N 2.94Å; L603-M683 HydrophobicContact CB-SD 4.37Å; L603-M683 HydrophobicContact CD2-CE 3.85Å; L603-M683 HydrophobicContact CD2-SD 4.25Å; L603-M683 HydrophobicContact CG-CE 4.07Å; L603-M683 HydrophobicContact CG-SD 4.43Å; L603-P721 HydrophobicContact CD2-CB 3.88Å; L603-P721 HydrophobicContact CD2-CG 4.23Å; L603-F725 HydrophobicContact CD1-CD1 3.97Å; L603-F725 HydrophobicContact CD1-CE1 3.76Å; L603-F725 HydrophobicContact CD2-CE1 3.99Å; L603-F725 HydrophobicContact CD2-CZ 4.12Å; L603-F725 HydrophobicContact CG-CE1 4.4Å; L603-L755 HydrophobicContact CD1-CD2 3.89Å; L603-L915 HydrophobicContact CD2-CD1 3.79Å; L603-L915 HydrophobicContact CD2-CD2 4.49Å |
| 604 | A | 88.7 | Confident | 79.2 | Confident | 0 Ų | 0 | 34.8 Ų | 34.8 | 0% | 0 | 22% | 0.215 | C | C | . | . | H | α-helix | trans | -62.9 | -38.4 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | L582 V584 S600 L601 V602 K608 L614 M683 | L582-A604 HydrophobicContact CD1-CB 3.85Å; V584-A604 HydrophobicContact CG2-CB 3.48Å; V584-A604 VanDerWaalsContact CG2-CB 3.48Å; S600-A604 WeakPolarHBondContact O-CB 3.38Å; S600-A604 PolarHBondContact O-N 3.38Å; L601-A604 PolarHBondContact O-N 2.7Å; V602-A604 PolarHBondContact O-N 3.26Å; A604-K608 PolarHBondContact O-N 3.31Å; A604-K608 VanDerWaalsContact O-N 3.16Å; A604-L614 HydrophobicContact CB-CD1 3.89Å; A604-M683 HydrophobicContact CB-SD 4.05Å |
| 605 | G | 86.6 | Confident | 80.8 | Confident | 8 Ų | 8 | 30 Ų | 30 | 8% | 0.082 | 19% | 0.188 | C | C | . | . | H | α-helix | trans | -59 | -46.6 | 171.1 | 0 | 0 | 0 | 0 | 0 | 112.3 | L601 V602 L603 G609 | L601-G605 PolarHBondContact O-N 3.42Å; V602-G605 PolarHBondContact O-N 3.02Å; L603-G605 VanDerWaalsContact C-N 3.3Å; L603-G605 PolarHBondContact O-N 3.48Å; G605-G609 PolarHBondContact O-N 3.22Å |
| 606 | M | 88.4 | Confident | 82.2 | Confident | 1 Ų | 1 | 29.4 Ų | 29.4 | 1% | 0.005 | 19% | 0.185 | C | C | . | . | H | α-helix | trans | -64 | -46.1 | 178.5 | -65.9 | -176.7 | -174.9 | 0 | 0 | 112.8 | V602 L603 K608 P726 L728 L755 V760 W761 | V602-M606 HydrophobicContact CG1-CE 3.59Å; V602-M606 WeakPolarHBondContact O-CG 3.44Å; V602-M606 PolarHBondContact O-N 3.4Å; L603-M606 PolarHBondContact O-N 2.92Å; M606-K608 PolarHBondContact O-N 2.96Å; M606-P726 HydrophobicContact CE-CG 4.17Å; M606-P726 WeakPolarHBondContact CE-O 3.39Å; M606-L728 HydrophobicContact CE-CD2 4Å; M606-L728 HydrophobicContact CG-CD2 3.61Å; M606-L755 HydrophobicContact CB-CD2 4.14Å; M606-V760 HydrophobicContact CE-CB 4.23Å; M606-V760 HydrophobicContact CE-CG1 3.94Å; M606-V760 HydrophobicContact CE-CG2 3.81Å; M606-V760 HydrophobicContact SD-CB 4.37Å; M606-V760 HydrophobicContact SD-CG1 4.24Å; M606-V760 HydrophobicContact SD-CG2 4.41Å; M606-W761 PolarHBondContact SD-NE1 2.91Å |
| 607 | L | 88.6 | Confident | 83.8 | Confident | 8 Ų | 8 | 25.1 Ų | 25.1 | 4% | 0.042 | 16% | 0.164 | C | C | . | . | H | α-helix | trans | -65.3 | -37.6 | -177.8 | -79.1 | 170.9 | 0 | 0 | 0 | 113 | L582 L603 M683 L719 L751 L754 L755 | L582-L607 HydrophobicContact CD1-CB 4.23Å; L582-L607 HydrophobicContact CD1-CD1 4.32Å; L603-L607 HydrophobicContact CD1-CG 4.41Å; L603-L607 HydrophobicContact CG-CD1 4.11Å; L603-L607 HydrophobicContact CG-CG 4.45Å; L603-L607 WeakPolarHBondContact O-CG 3.49Å; L603-L607 PolarHBondContact O-N 2.94Å; L607-M683 HydrophobicContact CD1-CE 3.57Å; L607-L719 HydrophobicContact CD1-CD1 4.17Å; L607-L751 HydrophobicContact CD2-CD2 4.06Å; L607-L754 HydrophobicContact CD2-CB 4.37Å; L607-L755 HydrophobicContact CD2-CD1 4.39Å; L607-L755 HydrophobicContact CD2-CD2 3.58Å; L607-L755 HydrophobicContact CD2-CG 3.64Å; L607-L755 HydrophobicContact CG-CD2 3.85Å; L607-L755 HydrophobicContact CG-CG 4.46Å |
| 608 | K | 85.4 | Confident | 85.2 | Confident | 23 Ų | 23 | 20 Ų | 20 | 10% | 0.1 | 14% | 0.136 | C | C | . | . | H | α-helix | trans | -85.9 | -28.8 | -177.3 | -66.5 | -67.2 | -93 | 177.7 | 0 | 112.6 | P580 L582 A604 M606 G610 Q611 L613 | P580-K608 PolarHBondContact O-NZ 3.36Å; L582-K608 HydrophobicContact CD1-CD 4.13Å; L582-K608 HydrophobicContact CD1-CG 3.67Å; L582-K608 HydrophobicContact CG-CD 4.16Å; L582-K608 HydrophobicContact CG-CG 4.19Å; A604-K608 PolarHBondContact O-N 3.31Å; A604-K608 VanDerWaalsContact O-N 3.16Å; M606-K608 PolarHBondContact O-N 2.96Å; K608-G610 PolarHBondContact O-N 2.92Å; K608-Q611 WeakPolarHBondContact CD-O 3.34Å; K608-Q611 WeakPolarHBondContact CE-O 3.35Å; K608-Q611 PolarHBondContact NZ-O 3.43Å; K608-Q611 PolarHBondContact O-N 2.88Å; K608-L613 WeakPolarHBondContact CE-O 3.29Å; K608-L613 PolarHBondContact NZ-O 3.19Å |
| 609 | G | 76 | Confident | 85.9 | Confident | 52 Ų | 52 | 19.7 Ų | 19.7 | 54% | 0.536 | 13% | 0.134 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.7 | 27 | -178.9 | 0 | 0 | 0 | 0 | 0 | 113.3 | G605 | G605-G609 PolarHBondContact O-N 3.22Š|
| 610 | G | 72.5 | Confident | 86.3 | Confident | 28 Ų | 28 | 20.3 Ų | 20.3 | 29% | 0.289 | 14% | 0.137 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 80.8 | 8.1 | -174.3 | 0 | 0 | 0 | 0 | 0 | 116.2 | K608 R650 | K608-G610 PolarHBondContact O-N 2.92Å; G610-R650 PolarHBondContact O-NH2 3.16Å |
| 611 | Q | 82.2 | Confident | 86.4 | Confident | 143 Ų | 143 | 24.6 Ų | 24.6 | 67% | 0.668 | 17% | 0.166 | S | C | * | . | trans | -112.4 | 144.8 | 179.9 | -60.9 | -176.6 | -6.5 | 0 | 0 | 112.8 | K608 | K608-Q611 WeakPolarHBondContact CD-O 3.34Å; K608-Q611 WeakPolarHBondContact CE-O 3.35Å; K608-Q611 PolarHBondContact NZ-O 3.43Å; K608-Q611 PolarHBondContact O-N 2.88Å | ||
| 612 | G | 84.9 | Confident | 86.3 | Confident | 62 Ų | 62 | 25.9 Ų | 25.9 | 64% | 0.639 | 17% | 0.174 | S | C | * | . | S | Bend | trans | 73.4 | -172 | 179.6 | 0 | 0 | 0 | 0 | 0 | 114.8 | ||
| 613 | L | 90.2 | Very high | 86 | Confident | 10 Ų | 10 | 35.3 Ų | 35.3 | 5% | 0.052 | 21% | 0.214 | C | C | . | . | trans | -82.8 | 124 | -174.9 | -177.9 | 67.9 | 0 | 0 | 0 | 112.2 | Q581 L582 K608 M615 F652 L677 | Q581-L613 HydrophobicContact CB-CB 4.25Å; L582-L613 PolarHBondContact N-O 3.07Å; K608-L613 WeakPolarHBondContact CE-O 3.29Å; K608-L613 PolarHBondContact NZ-O 3.19Å; L613-M615 HydrophobicContact CD1-CG 4.1Å; L613-M615 HydrophobicContact CD1-SD 4.1Å; L613-M615 HydrophobicContact CD2-CG 4.29Å; L613-M615 HydrophobicContact CG-CG 4.08Å; L613-F652 HydrophobicContact CD1-CD2 3.76Å; L613-F652 HydrophobicContact CD1-CE2 3.73Å; L613-L677 HydrophobicContact CB-CD1 4.34Å; L613-L677 HydrophobicContact CD1-CD1 4.33Å; L613-L677 HydrophobicContact CD1-CD2 4.46Å; L613-L677 HydrophobicContact CD1-CG 4.24Å; L613-L677 HydrophobicContact CD2-CD1 4.27Å; L613-L677 HydrophobicContact CD2-CG 4.16Å | ||
| 614 | L | 93 | Very high | 85.6 | Confident | 4 Ų | 4 | 43.2 Ų | 43.2 | 2% | 0.021 | 25% | 0.251 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.7 | 119.2 | 168.5 | 175.4 | 64.5 | 0 | 0 | 0 | 109 | L582 V584 A604 I616 I649 G651 F652 | L582-L614 HydrophobicContact CB-CD1 3.78Å; L582-L614 HydrophobicContact CD1-CD1 4.41Å; V584-L614 HydrophobicContact CG2-CD1 3.68Å; A604-L614 HydrophobicContact CB-CD1 3.89Å; L614-I616 HydrophobicContact CD2-CD1 4.3Å; L614-I616 HydrophobicContact CG-CD1 4.47Å; L614-I616 HydrophobicContact CG-CG1 4.42Å; L614-I649 HydrophobicContact CD2-CG2 3.35Å; L614-G651 CarbonylContact O-C 3.43Å; L614-G651 VanDerWaalsContact O-CA 3.25Å; L614-G651 WeakPolarHBondContact O-CA 3.22Å; L614-F652 PolarHBondContact O-N 3.46Å |
| 615 | M | 92.1 | Very high | 85.2 | Confident | 23 Ų | 23 | 49.7 Ų | 49.7 | 11% | 0.113 | 28% | 0.279 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -113.8 | 122.1 | 176.3 | -66.3 | -70.7 | -61.9 | 0 | 0 | 108.7 | L582 Q583 V584 L613 F652 | L582-M615 PolarHBondContact O-N 3.47Å; Q583-M615 CarbonylContact C-O 3.57Å; Q583-M615 VanDerWaalsContact CA-O 3.31Å; Q583-M615 WeakPolarHBondContact CA-O 3.36Å; V584-M615 PolarHBondContact N-O 3.5Å; L613-M615 HydrophobicContact CD1-CG 4.1Å; L613-M615 HydrophobicContact CD1-SD 4.1Å; L613-M615 HydrophobicContact CD2-CG 4.29Å; L613-M615 HydrophobicContact CG-CG 4.08Å; M615-F652 HydrophobicContact CE-CB 4.24Å; M615-F652 HydrophobicContact SD-CB 3.52Å; M615-F652 VanDerWaalsContact SD-CB 3.52Å; M615-F652 HydrophobicContact SD-CD2 3.74Å; M615-F652 HydrophobicContact SD-CG 3.97Å |
| 616 | I | 91.7 | Very high | 84.9 | Confident | 0 Ų | 0 | 51 Ų | 51 | 0% | 0 | 29% | 0.293 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -106.4 | 117.8 | 174.8 | -68.8 | 154.7 | 0 | 0 | 0 | 107.8 | V584 L586 L601 L614 I640 M644 F652 V653 R654 | V584-I616 HydrophobicContact CB-CG1 4.19Å; V584-I616 WeakPolarHBondContact O-CA 3.27Å; L586-I616 HydrophobicContact CD1-CG2 3.41Å; L586-I616 VanDerWaalsContact CD1-CG2 3.41Å; L586-I616 HydrophobicContact CG-CG2 3.95Å; L601-I616 HydrophobicContact CD1-CD1 3.4Å; L601-I616 VanDerWaalsContact CD1-CD1 3.4Å; L601-I616 HydrophobicContact CD1-CG1 4.1Å; L614-I616 HydrophobicContact CD2-CD1 4.3Å; L614-I616 HydrophobicContact CG-CD1 4.47Å; L614-I616 HydrophobicContact CG-CG1 4.42Å; I616-I640 HydrophobicContact CG2-CG2 3.94Å; I616-M644 HydrophobicContact CD1-CE 3.51Å; I616-M644 HydrophobicContact CD1-CG 3.89Å; I616-M644 HydrophobicContact CD1-SD 3.35Å; I616-M644 WeakPolarHBondContact CD1-SD 3.48Å; I616-F652 PolarHBondContact N-O 3.29Å; I616-V653 WeakPolarHBondContact O-CA 3.34Å; I616-R654 PolarHBondContact O-N 3.46Å |
| 617 | T | 90.7 | Very high | 84.3 | Confident | 0 Ų | 0 | 60 Ų | 60 | 0% | 0 | 33% | 0.332 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -111.8 | 134.5 | 177.8 | -52 | 0 | 0 | 0 | 0 | 110.7 | V584 Y585 L586 F619 R654 I656 N668 | V584-T617 PolarHBondContact O-N 2.95Å; Y585-T617 WeakPolarHBondContact CA-O 3.29Å; Y585-T617 HydrophobicContact CD1-CG2 4.19Å; Y585-T617 HydrophobicContact CE1-CG2 3.92Å; L586-T617 PolarHBondContact N-O 3.44Å; T617-F619 HydrophobicContact CG2-CE1 4.3Å; T617-F619 HydrophobicContact CG2-CE2 4.25Å; T617-F619 HydrophobicContact CG2-CZ 3.96Å; T617-R654 CarbonylContact C-O 3.52Å; T617-R654 VanDerWaalsContact CA-O 3.29Å; T617-R654 WeakPolarHBondContact CA-O 3.34Å; T617-R654 HydrophobicContact CG2-CB 4.43Å; T617-I656 HydrophobicContact CG2-CD1 3.82Å; T617-I656 HydrophobicContact CG2-CG1 4.2Å; T617-N668 WeakPolarHBondContact CG2-ND2 3.18Å; T617-N668 PolarHBondContact OG1-ND2 3.04Å |
| 618 | S | 89.5 | Confident | 83.9 | Confident | 1 Ų | 1 | 67.8 Ų | 67.8 | 1% | 0.007 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.9 | 147.3 | 165.3 | -169 | 0 | 0 | 0 | 0 | 111.8 | L586 F588 K636 R654 V655 I656 | L586-S618 PolarHBondContact O-OG 2.93Å; F588-S618 WeakPolarHBondContact CD2-OG 3.41Å; F588-S618 WeakPolarHBondContact CE2-OG 3.5Å; S618-K636 WeakPolarHBondContact OG-CE 3.48Å; S618-K636 PolarHBondContact OG-NZ 3.11Å; S618-R654 PolarHBondContact N-O 2.99Å; S618-V655 CarbonylContact O-C 3.57Å; S618-V655 VanDerWaalsContact O-CA 3.27Å; S618-V655 WeakPolarHBondContact O-CA 3.48Å; S618-I656 PolarHBondContact O-N 3.42Å |
| 619 | F | 86.8 | Confident | 83.9 | Confident | 23 Ų | 23 | 67.4 Ų | 67.4 | 10% | 0.101 | 37% | 0.367 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -103.3 | 148.6 | 178.1 | -59.8 | -81.1 | 0 | 0 | 0 | 111 | Y585 T617 K636 I656 L661 A664 M665 N668 | Y585-F619 HydrophobicContact CD1-CD2 4.42Å; Y585-F619 AromaticContact CD1-CE2 3.4Å; Y585-F619 HydrophobicContact CD1-CE2 3.4Å; Y585-F619 AromaticContact CD1-CZ 3.94Å; Y585-F619 HydrophobicContact CD1-CZ 3.94Å; Y585-F619 AromaticContact CE1-CE2 3.47Å; Y585-F619 HydrophobicContact CE1-CE2 3.47Å; Y585-F619 VanDerWaalsContact CE1-CE2 3.47Å; Y585-F619 AromaticContact CE1-CZ 3.49Å; Y585-F619 HydrophobicContact CE1-CZ 3.49Å; Y585-F619 VanDerWaalsContact CE1-CZ 3.49Å; Y585-F619 HydrophobicContact CG-CE2 4.45Å; T617-F619 HydrophobicContact CG2-CE1 4.3Å; T617-F619 HydrophobicContact CG2-CE2 4.25Å; T617-F619 HydrophobicContact CG2-CZ 3.96Å; F619-K636 PolarHBondContact O-NZ 3.05Å; F619-I656 CarbonylContact C-O 3.57Å; F619-I656 VanDerWaalsContact CA-O 3.29Å; F619-I656 WeakPolarHBondContact CA-O 3.35Å; F619-I656 HydrophobicContact CD1-CB 3.89Å; F619-I656 HydrophobicContact CD1-CG2 4.28Å; F619-I656 HydrophobicContact CE1-CB 4.09Å; F619-I656 HydrophobicContact CE1-CD1 3.94Å; F619-I656 HydrophobicContact CE1-CG2 4.38Å; F619-L661 HydrophobicContact CB-CD1 3.32Å; F619-L661 HydrophobicContact CD1-CD1 4.23Å; F619-L661 HydrophobicContact CD2-CD1 3.66Å; F619-L661 HydrophobicContact CG-CD1 3.47Å; F619-L661 VanDerWaalsContact CG-CD1 3.47Å; F619-A664 HydrophobicContact CD1-CB 4.07Å; F619-A664 HydrophobicContact CE1-CB 3.95Å; F619-M665 HydrophobicContact CE1-CB 4.48Å; F619-M665 HydrophobicContact CE2-CB 3.97Å; F619-M665 HydrophobicContact CE2-CG 4.02Å; F619-M665 HydrophobicContact CE2-SD 4.21Å; F619-M665 HydrophobicContact CZ-CB 3.76Å; F619-M665 HydrophobicContact CZ-CG 4.04Å; F619-N668 HydrophobicContact CE1-CB 4.49Å; F619-N668 HydrophobicContact CZ-CB 4.37Å |
| 620 | I | 85.4 | Confident | 84.3 | Confident | 31 Ų | 31 | 70 Ų | 70 | 16% | 0.159 | 37% | 0.369 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.8 | 116.4 | 171.3 | -58.2 | 176.4 | 0 | 0 | 0 | 107 | V622 A632 I633 K636 V655 I656 P657 C658 | I620-V622 HydrophobicContact CB-CG2 4.45Å; I620-V622 HydrophobicContact CG2-CG2 3.75Å; I620-V622 PolarHBondContact O-N 2.98Å; I620-A632 HydrophobicContact CD1-CB 4.31Å; I620-I633 HydrophobicContact CD1-CG1 4.18Å; I620-K636 HydrophobicContact CD1-CB 4.37Å; I620-K636 HydrophobicContact CD1-CD 3.7Å; I620-K636 HydrophobicContact CG1-CD 3.63Å; I620-V655 HydrophobicContact CD1-CG1 3.43Å; I620-V655 VanDerWaalsContact CD1-CG1 3.43Å; I620-V655 HydrophobicContact CG1-CG1 3.77Å; I620-I656 PolarHBondContact N-O 3.38Å; I620-P657 CarbonylContact O-C 3.55Å; I620-P657 WeakPolarHBondContact O-CA 3.38Å; I620-C658 PolarHBondContact O-N 3.43Å |
| 621 | C | 82.8 | Confident | 85 | Confident | 91 Ų | 91 | 71.7 Ų | 71.7 | 62% | 0.615 | 38% | 0.38 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -75.3 | 119.6 | 174.6 | -61 | 0 | 0 | 0 | 0 | 109.6 | C658 | C621-C658 VanDerWaalsContact CA-O 3.28Å; C621-C658 WeakPolarHBondContact CA-O 3.46Å |
| 622 | V | 84.1 | Confident | 85.1 | Confident | 28 Ų | 28 | 66.5 Ų | 66.5 | 17% | 0.17 | 36% | 0.362 | C | S | . | . | trans | -128 | 138.6 | -179.8 | -169.3 | 0 | 0 | 0 | 0 | 109.3 | I620 E624 T629 P657 C658 | I620-V622 HydrophobicContact CB-CG2 4.45Å; I620-V622 HydrophobicContact CG2-CG2 3.75Å; I620-V622 PolarHBondContact O-N 2.98Å; V622-E624 WeakPolarHBondContact CG1-O 3.5Å; V622-T629 HydrophobicContact CB-CG2 4.33Å; V622-T629 HydrophobicContact CG1-CG2 3.57Å; V622-T629 HydrophobicContact CG2-CG2 4.01Å; V622-P657 HydrophobicContact CG2-CB 4.24Å; V622-C658 PolarHBondContact N-O 3.07Å | ||
| 623 | K | 79 | Confident | 85.3 | Confident | 206 Ų | 206 | 65.3 Ų | 65.3 | 90% | 0.896 | 34% | 0.341 | S | S | * | . | S | Bend | trans | -76.7 | -44.1 | 174.2 | -66.8 | -174.8 | 178.2 | -177 | 0 | 112.3 | ||
| 624 | E | 78.9 | Confident | 85.3 | Confident | 166 Ų | 166 | 67.7 Ų | 67.7 | 78% | 0.776 | 36% | 0.361 | S | S | * | . | S | Bend | trans | -134.7 | 134.1 | -180 | -69.9 | 178.8 | 178.4 | 0 | 0 | 111.3 | V622 | V622-E624 WeakPolarHBondContact CG1-O 3.5Š|
| 625 | F | 80.5 | Confident | 85.1 | Confident | 136 Ų | 136 | 70.9 Ų | 70.9 | 60% | 0.596 | 38% | 0.384 | S | S | * | . | trans | -74.7 | 125.1 | 175.8 | -64.2 | -87.1 | 0 | 0 | 0 | 110.1 | P657 T659 | F625-P657 HydrophobicContact CD1-CB 4.33Å; F625-P657 HydrophobicContact CD1-CG 4.36Å; F625-P657 HydrophobicContact CE1-CB 3.77Å; F625-P657 HydrophobicContact CE1-CG 3.8Å; F625-T659 HydrophobicContact CE2-CG2 4.38Å | ||
| 626 | G | 79.5 | Confident | 84.8 | Confident | 35 Ų | 35 | 70.9 Ų | 70.9 | 36% | 0.361 | 38% | 0.383 | S | S | . | . | S | Bend | trans | -161.2 | 177 | -177.7 | 0 | 0 | 0 | 0 | 0 | 111.9 | H628 T629 | G626-H628 PolarHBondContact O-N 3.18Å; G626-T629 WeakPolarHBondContact O-CB 3.03Å; G626-T629 PolarHBondContact O-N 3.07Å; G626-T629 PolarHBondContact O-OG1 3.16Å |
| 627 | K | 77.4 | Confident | 84.7 | Confident | 190 Ų | 190 | 75.9 Ų | 75.9 | 83% | 0.826 | 41% | 0.405 | S | S | * | . | H | α-helix | trans | -55.1 | -28.6 | -175.4 | -67.1 | -179.5 | 179.2 | 177.3 | 0 | 114.2 | T629 D630 A631 | K627-T629 VanDerWaalsContact C-N 3.26Å; K627-T629 PolarHBondContact O-N 3.28Å; K627-D630 PolarHBondContact O-N 3.42Å; K627-A631 PolarHBondContact O-N 3.12Å |
| 628 | H | 79.8 | Confident | 84.7 | Confident | 171 Ų | 171 | 83.8 Ų | 83.8 | 79% | 0.792 | 44% | 0.44 | S | S | * | . | H | α-helix | trans | -65.5 | -26.6 | 175.3 | -62 | -68.1 | 0 | 0 | 0 | 113.2 | G626 A632 | G626-H628 PolarHBondContact O-N 3.18Å; H628-A632 WeakPolarHBondContact O-CB 3.4Å; H628-A632 PolarHBondContact O-N 3.22Å |
| 629 | T | 84.3 | Confident | 84.6 | Confident | 15 Ų | 15 | 86.8 Ų | 86.8 | 9% | 0.092 | 45% | 0.454 | C | S | . | . | H | α-helix | trans | -68.4 | -40.5 | 177.7 | 62.6 | 0 | 0 | 0 | 0 | 111.5 | V622 G626 K627 A631 A632 I633 | V622-T629 HydrophobicContact CB-CG2 4.33Å; V622-T629 HydrophobicContact CG1-CG2 3.57Å; V622-T629 HydrophobicContact CG2-CG2 4.01Å; G626-T629 WeakPolarHBondContact O-CB 3.03Å; G626-T629 PolarHBondContact O-N 3.07Å; G626-T629 PolarHBondContact O-OG1 3.16Å; K627-T629 VanDerWaalsContact C-N 3.26Å; K627-T629 PolarHBondContact O-N 3.28Å; T629-A631 PolarHBondContact O-N 3.4Å; T629-A632 PolarHBondContact O-N 3.5Å; T629-I633 WeakPolarHBondContact O-CB 3.21Å; T629-I633 WeakPolarHBondContact O-CD1 3.39Å; T629-I633 WeakPolarHBondContact O-CG1 3.43Å; T629-I633 PolarHBondContact O-N 3.39Å |
| 630 | D | 85.1 | Confident | 84.7 | Confident | 106 Ų | 106 | 85.7 Ų | 85.7 | 57% | 0.567 | 45% | 0.449 | S | S | * | . | H | α-helix | trans | -66.1 | -41 | 179.7 | -65.1 | -20.1 | 0 | 0 | 0 | 111.5 | K627 A632 I633 A634 | K627-D630 PolarHBondContact O-N 3.42Å; D630-A632 VanDerWaalsContact C-N 3.33Å; D630-A632 PolarHBondContact O-N 3.45Å; D630-I633 PolarHBondContact O-N 3.09Å; D630-A634 WeakPolarHBondContact O-CB 3.06Å; D630-A634 PolarHBondContact O-N 3.35Å |
| 631 | A | 86.7 | Confident | 84.9 | Confident | 64 Ų | 64 | 90.6 Ų | 90.6 | 53% | 0.529 | 47% | 0.47 | S | S | . | . | H | α-helix | trans | -61.5 | -41.3 | 173.1 | 0 | 0 | 0 | 0 | 0 | 111.8 | K627 T629 A634 S635 | K627-A631 PolarHBondContact O-N 3.12Å; T629-A631 PolarHBondContact O-N 3.4Å; A631-A634 PolarHBondContact O-N 2.84Å; A631-S635 WeakPolarHBondContact O-CB 3.3Å; A631-S635 PolarHBondContact O-N 3.15Å; A631-S635 PolarHBondContact O-OG 3.12Å |
| 632 | A | 85.9 | Confident | 85.2 | Confident | 35 Ų | 35 | 89.6 Ų | 89.6 | 29% | 0.289 | 46% | 0.463 | S | S | . | . | H | α-helix | trans | -67.7 | -38.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112.8 | I620 H628 T629 D630 S635 K636 | I620-A632 HydrophobicContact CD1-CB 4.31Å; H628-A632 WeakPolarHBondContact O-CB 3.4Å; H628-A632 PolarHBondContact O-N 3.22Å; T629-A632 PolarHBondContact O-N 3.5Å; D630-A632 VanDerWaalsContact C-N 3.33Å; D630-A632 PolarHBondContact O-N 3.45Å; A632-S635 PolarHBondContact O-OG 2.85Å; A632-S635 VanDerWaalsContact O-OG 3.06Å; A632-K636 WeakPolarHBondContact O-CB 3.34Å; A632-K636 PolarHBondContact O-N 3.37Å |
| 633 | I | 88.3 | Confident | 85.3 | Confident | 37 Ų | 37 | 89 Ų | 89 | 19% | 0.19 | 46% | 0.46 | C | S | . | . | H | α-helix | trans | -63.4 | -47.7 | 174.4 | -70.6 | 162.7 | 0 | 0 | 0 | 109.7 | I620 T629 D630 K637 V655 P657 | I620-I633 HydrophobicContact CD1-CG1 4.18Å; T629-I633 WeakPolarHBondContact O-CB 3.21Å; T629-I633 WeakPolarHBondContact O-CD1 3.39Å; T629-I633 WeakPolarHBondContact O-CG1 3.43Å; T629-I633 PolarHBondContact O-N 3.39Å; D630-I633 PolarHBondContact O-N 3.09Å; I633-K637 WeakPolarHBondContact O-CB 3.3Å; I633-K637 PolarHBondContact O-N 3.45Å; I633-V655 HydrophobicContact CB-CG1 4.5Å; I633-V655 HydrophobicContact CG1-CG1 4.28Å; I633-V655 HydrophobicContact CG2-CB 4.21Å; I633-V655 HydrophobicContact CG2-CG1 4.41Å; I633-P657 HydrophobicContact CD1-CB 4.34Å; I633-P657 HydrophobicContact CD1-CG 3.86Å |
| 634 | A | 89.4 | Confident | 85.7 | Confident | 59 Ų | 59 | 79.4 Ų | 79.4 | 49% | 0.488 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -64.7 | -45.2 | -178.9 | 0 | 0 | 0 | 0 | 0 | 112.2 | D630 A631 K637 K638 | D630-A634 WeakPolarHBondContact O-CB 3.06Å; D630-A634 PolarHBondContact O-N 3.35Å; A631-A634 PolarHBondContact O-N 2.84Å; A634-K637 PolarHBondContact O-N 3.16Å; A634-K638 WeakPolarHBondContact O-CB 3.5Å; A634-K638 PolarHBondContact O-N 2.94Å |
| 635 | S | 89 | Confident | 86.2 | Confident | 71 Ų | 71 | 75.8 Ų | 75.8 | 50% | 0.497 | 41% | 0.411 | S | S | . | . | H | α-helix | trans | -63.8 | -46.3 | 178.5 | 67.6 | 0 | 0 | 0 | 0 | 111.5 | A631 A632 K638 M639 | A631-S635 WeakPolarHBondContact O-CB 3.3Å; A631-S635 PolarHBondContact O-N 3.15Å; A631-S635 PolarHBondContact O-OG 3.12Å; A632-S635 PolarHBondContact O-OG 2.85Å; A632-S635 VanDerWaalsContact O-OG 3.06Å; S635-K638 PolarHBondContact O-N 3.31Å; S635-M639 WeakPolarHBondContact O-CB 3.44Å; S635-M639 PolarHBondContact O-N 3.3Å |
| 636 | K | 86.2 | Confident | 86.4 | Confident | 24 Ų | 24 | 73.3 Ų | 73.3 | 10% | 0.104 | 41% | 0.411 | C | S | . | . | H | α-helix | trans | -64.8 | -41.6 | 178.3 | -166.4 | 170.8 | -170.2 | 176.5 | 0 | 112.1 | F588 S618 F619 I620 A632 M639 I640 V655 | F588-K636 VanDerWaalsContact CD2-NZ 3.28Å; F588-K636 HydrophobicContact CE1-CG 4.46Å; F588-K636 HydrophobicContact CE2-CD 4.41Å; F588-K636 HydrophobicContact CZ-CD 4.47Å; F588-K636 VanDerWaalsContact CZ-CE 3.48Å; F588-K636 HydrophobicContact CZ-CG 4.16Å; S618-K636 WeakPolarHBondContact OG-CE 3.48Å; S618-K636 PolarHBondContact OG-NZ 3.11Å; F619-K636 PolarHBondContact O-NZ 3.05Å; I620-K636 HydrophobicContact CD1-CB 4.37Å; I620-K636 HydrophobicContact CD1-CD 3.7Å; I620-K636 HydrophobicContact CG1-CD 3.63Å; A632-K636 WeakPolarHBondContact O-CB 3.34Å; A632-K636 PolarHBondContact O-N 3.37Å; K636-M639 HydrophobicContact CB-CE 4.49Å; K636-M639 HydrophobicContact CG-CE 4.22Å; K636-M639 PolarHBondContact O-N 3.31Å; K636-I640 HydrophobicContact CG-CD1 4.32Å; K636-I640 WeakPolarHBondContact O-CG1 3.28Å; K636-I640 PolarHBondContact O-N 2.97Å; K636-V655 HydrophobicContact CB-CG1 4.36Å; K636-V655 HydrophobicContact CB-CG2 4.42Å; K636-V655 HydrophobicContact CD-CG1 3.99Å; K636-V655 HydrophobicContact CG-CG1 4.42Å; K636-V655 HydrophobicContact CG-CG2 4.33Å |
| 637 | K | 90.4 | Very high | 86.6 | Confident | 105 Ų | 105 | 73.3 Ų | 73.3 | 46% | 0.457 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -63 | -42.2 | 175.3 | -172.9 | 177.1 | -174.9 | 178.1 | 0 | 111.7 | I633 A634 K641 V653 V655 | I633-K637 WeakPolarHBondContact O-CB 3.3Å; I633-K637 PolarHBondContact O-N 3.45Å; A634-K637 PolarHBondContact O-N 3.16Å; K637-K641 WeakPolarHBondContact O-CB 3.44Å; K637-K641 PolarHBondContact O-N 3.26Å; K637-V653 HydrophobicContact CG-CB 4.37Å; K637-V653 HydrophobicContact CG-CG1 4.01Å; K637-V655 HydrophobicContact CB-CG2 4.09Å |
| 638 | K | 90.2 | Very high | 87 | Confident | 166 Ų | 166 | 67.3 Ų | 67.3 | 72% | 0.722 | 39% | 0.394 | S | S | * | . | H | α-helix | trans | -61.9 | -45.8 | 176.5 | -174 | 179.7 | 179.6 | -177.4 | 0 | 111.2 | A634 S635 K641 S642 | A634-K638 WeakPolarHBondContact O-CB 3.5Å; A634-K638 PolarHBondContact O-N 2.94Å; S635-K638 PolarHBondContact O-N 3.31Å; K638-K641 PolarHBondContact O-N 3.47Å; K638-S642 PolarHBondContact O-N 3.12Å; K638-S642 PolarHBondContact O-OG 3.3Å; K638-S642 VanDerWaalsContact O-OG 3.12Å |
| 639 | M | 87.7 | Confident | 87.3 | Confident | 63 Ų | 63 | 60 Ų | 60 | 31% | 0.31 | 36% | 0.361 | S | S | . | . | H | α-helix | trans | -59.2 | -50.5 | 177.5 | 173.4 | 172.4 | 39.9 | 0 | 0 | 112.3 | F588 L595 S635 K636 K641 S642 T643 | F588-M639 HydrophobicContact CE1-CE 3.97Å; L595-M639 HydrophobicContact CD1-CG 3.65Å; L595-M639 HydrophobicContact CD1-SD 3.89Å; S635-M639 WeakPolarHBondContact O-CB 3.44Å; S635-M639 PolarHBondContact O-N 3.3Å; K636-M639 HydrophobicContact CB-CE 4.49Å; K636-M639 HydrophobicContact CG-CE 4.22Å; K636-M639 PolarHBondContact O-N 3.31Å; M639-K641 VanDerWaalsContact C-N 3.31Å; M639-K641 PolarHBondContact O-N 3.34Å; M639-S642 WeakPolarHBondContact CA-OG 2.95Å; M639-S642 PolarHBondContact O-N 3.43Å; M639-S642 PolarHBondContact O-OG 2.91Å; M639-T643 PolarHBondContact O-N 3.05Å; M639-T643 PolarHBondContact O-OG1 2.78Å |
| 640 | I | 87.9 | Confident | 87.4 | Confident | 0 Ų | 0 | 67.9 Ų | 67.9 | 0% | 0 | 39% | 0.389 | C | S | . | . | H | α-helix | trans | -60.5 | -43.8 | 177.6 | -63.7 | 165.4 | 0 | 0 | 0 | 110.3 | F588 L595 I616 K636 S642 T643 M644 V653 V655 | F588-I640 HydrophobicContact CE2-CD1 4.28Å; F588-I640 HydrophobicContact CZ-CD1 3.92Å; F588-I640 HydrophobicContact CZ-CG1 3.82Å; L595-I640 HydrophobicContact CD2-CG1 4.3Å; I616-I640 HydrophobicContact CG2-CG2 3.94Å; K636-I640 HydrophobicContact CG-CD1 4.32Å; K636-I640 WeakPolarHBondContact O-CG1 3.28Å; K636-I640 PolarHBondContact O-N 2.97Å; I640-S642 PolarHBondContact O-N 3.28Å; I640-T643 PolarHBondContact O-N 3.44Å; I640-M644 HydrophobicContact CG2-CG 4.35Å; I640-M644 HydrophobicContact CG2-SD 4.17Å; I640-M644 WeakPolarHBondContact O-CG 3.5Å; I640-M644 PolarHBondContact O-N 3.46Å; I640-V653 HydrophobicContact CB-CG1 3.84Å; I640-V653 HydrophobicContact CB-CG2 4.37Å; I640-V653 HydrophobicContact CD1-CG1 3.88Å; I640-V653 HydrophobicContact CG1-CG1 4.48Å; I640-V653 HydrophobicContact CG2-CB 4.36Å; I640-V653 HydrophobicContact CG2-CG1 3.71Å; I640-V653 HydrophobicContact CG2-CG2 3.65Å; I640-V655 HydrophobicContact CD1-CG2 4.12Å |
| 641 | K | 90.1 | Very high | 87.7 | Confident | 135 Ų | 135 | 64.5 Ų | 64.5 | 59% | 0.587 | 38% | 0.379 | S | S | * | . | H | α-helix | trans | -64.1 | -41.3 | -179.7 | -164.2 | 178.5 | -176.5 | -177.7 | 0 | 112 | K637 K638 M639 T643 M644 S645 | K637-K641 WeakPolarHBondContact O-CB 3.44Å; K637-K641 PolarHBondContact O-N 3.26Å; K638-K641 PolarHBondContact O-N 3.47Å; M639-K641 VanDerWaalsContact C-N 3.31Å; M639-K641 PolarHBondContact O-N 3.34Å; K641-T643 VanDerWaalsContact C-N 3.33Å; K641-T643 PolarHBondContact O-N 3.03Å; K641-M644 PolarHBondContact O-N 3.37Å; K641-S645 PolarHBondContact O-N 3.39Å; K641-S645 PolarHBondContact O-OG 3.48Å |
| 642 | S | 89.3 | Confident | 87.9 | Confident | 69 Ų | 69 | 67.4 Ų | 67.4 | 48% | 0.483 | 38% | 0.38 | S | S | . | . | H | α-helix | trans | -62.7 | -39.9 | 174.5 | 48.3 | 0 | 0 | 0 | 0 | 112.1 | K638 M639 I640 S645 S646 | K638-S642 PolarHBondContact O-N 3.12Å; K638-S642 PolarHBondContact O-OG 3.3Å; K638-S642 VanDerWaalsContact O-OG 3.12Å; M639-S642 WeakPolarHBondContact CA-OG 2.95Å; M639-S642 PolarHBondContact O-N 3.43Å; M639-S642 PolarHBondContact O-OG 2.91Å; I640-S642 PolarHBondContact O-N 3.28Å; S642-S645 PolarHBondContact O-N 3.45Å; S642-S646 PolarHBondContact O-N 3.13Å |
| 643 | T | 86 | Confident | 88.2 | Confident | 15 Ų | 15 | 66.7 Ų | 66.7 | 9% | 0.092 | 37% | 0.372 | C | S | . | . | H | α-helix | trans | -67.3 | -43.4 | 176.7 | -51.2 | 0 | 0 | 0 | 0 | 111.5 | L595 I596 L601 M639 I640 K641 S645 S646 L647 | L595-T643 HydrophobicContact CB-CG2 3.62Å; I596-T643 HydrophobicContact CG1-CG2 4.32Å; L601-T643 HydrophobicContact CD2-CG2 4.42Å; M639-T643 PolarHBondContact O-N 3.05Å; M639-T643 PolarHBondContact O-OG1 2.78Å; I640-T643 PolarHBondContact O-N 3.44Å; K641-T643 VanDerWaalsContact C-N 3.33Å; K641-T643 PolarHBondContact O-N 3.03Å; T643-S645 VanDerWaalsContact C-N 3.31Å; T643-S645 PolarHBondContact O-N 3.33Å; T643-S646 WeakPolarHBondContact CA-OG 3.44Å; T643-S646 PolarHBondContact O-N 2.76Å; T643-S646 VanDerWaalsContact O-N 3.14Å; T643-S646 PolarHBondContact O-OG 3.19Å; T643-L647 HydrophobicContact CG2-CD1 3.92Å; T643-L647 HydrophobicContact CG2-CG 4.37Å; T643-L647 WeakPolarHBondContact O-CG 3.48Å; T643-L647 PolarHBondContact O-N 3.05Å |
| 644 | M | 87.4 | Confident | 88.4 | Confident | 6 Ų | 6 | 69.9 Ų | 69.9 | 3% | 0.03 | 38% | 0.382 | C | S | . | . | H | α-helix | trans | -57.6 | -43.7 | 174.4 | -72.2 | 178.6 | 72 | 0 | 0 | 112.3 | I616 I640 K641 L647 G648 I649 V653 | I616-M644 HydrophobicContact CD1-CE 3.51Å; I616-M644 HydrophobicContact CD1-CG 3.89Å; I616-M644 HydrophobicContact CD1-SD 3.35Å; I616-M644 WeakPolarHBondContact CD1-SD 3.48Å; I640-M644 HydrophobicContact CG2-CG 4.35Å; I640-M644 HydrophobicContact CG2-SD 4.17Å; I640-M644 WeakPolarHBondContact O-CG 3.5Å; I640-M644 PolarHBondContact O-N 3.46Å; K641-M644 PolarHBondContact O-N 3.37Å; M644-L647 CarbonylContact O-C 3.35Å; M644-L647 PolarHBondContact O-N 3.28Å; M644-G648 PolarHBondContact O-N 3.46Å; M644-I649 HydrophobicContact CE-CG2 4.11Å; M644-I649 PolarHBondContact O-N 3.01Å; M644-V653 HydrophobicContact SD-CG2 3.31Å; M644-V653 WeakPolarHBondContact SD-CG2 3.32Å |
| 645 | S | 88.3 | Confident | 88.5 | Confident | 89 Ų | 89 | 67.8 Ų | 67.8 | 62% | 0.622 | 36% | 0.363 | S | S | * | . | H | α-helix | trans | -62.4 | -41 | 175.7 | -66.9 | 0 | 0 | 0 | 0 | 112.2 | K641 S642 T643 L647 G648 | K641-S645 PolarHBondContact O-N 3.39Å; K641-S645 PolarHBondContact O-OG 3.48Å; S642-S645 PolarHBondContact O-N 3.45Å; T643-S645 VanDerWaalsContact C-N 3.31Å; T643-S645 PolarHBondContact O-N 3.33Å; S645-L647 VanDerWaalsContact C-N 3.28Å; S645-L647 PolarHBondContact O-N 2.92Å; S645-G648 PolarHBondContact O-N 2.74Å |
| 646 | S | 86.6 | Confident | 88.5 | Confident | 85 Ų | 85 | 65.8 Ų | 65.8 | 59% | 0.594 | 35% | 0.347 | S | S | * | . | H | α-helix | trans | -65.2 | -29.8 | 175.5 | 70.7 | 0 | 0 | 0 | 0 | 113.7 | S642 T643 | S642-S646 PolarHBondContact O-N 3.13Å; T643-S646 WeakPolarHBondContact CA-OG 3.44Å; T643-S646 PolarHBondContact O-N 2.76Å; T643-S646 VanDerWaalsContact O-N 3.14Å; T643-S646 PolarHBondContact O-OG 3.19Å |
| 647 | L | 83.3 | Confident | 88.7 | Confident | 34 Ų | 34 | 66.3 Ų | 66.3 | 18% | 0.178 | 35% | 0.352 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -89.5 | -4.8 | 178.2 | -67.1 | 172.6 | 0 | 0 | 0 | 113 | I596 L601 T643 M644 S645 I649 L728 | I596-L647 HydrophobicContact CG2-CD2 4.38Å; L601-L647 HydrophobicContact CD2-CD1 3.77Å; L601-L647 HydrophobicContact CG-CD1 4.2Å; T643-L647 HydrophobicContact CG2-CD1 3.92Å; T643-L647 HydrophobicContact CG2-CG 4.37Å; T643-L647 WeakPolarHBondContact O-CG 3.48Å; T643-L647 PolarHBondContact O-N 3.05Å; M644-L647 CarbonylContact O-C 3.35Å; M644-L647 PolarHBondContact O-N 3.28Å; S645-L647 VanDerWaalsContact C-N 3.28Å; S645-L647 PolarHBondContact O-N 2.92Å; L647-I649 HydrophobicContact CB-CD1 3.78Å; L647-I649 HydrophobicContact CB-CG1 3.84Å; L647-I649 HydrophobicContact CD1-CD1 3.94Å; L647-I649 PolarHBondContact O-N 3.01Å; L647-L728 HydrophobicContact CB-CD1 3.87Å; L647-L728 HydrophobicContact CD2-CD1 3.99Å; L647-L728 HydrophobicContact CG-CD1 4.45Å; L647-L728 VanDerWaalsContact O-CD1 3.3Å; L647-L728 WeakPolarHBondContact O-CD1 3.29Å |
| 648 | G | 84.3 | Confident | 88.5 | Confident | 64 Ų | 64 | 61.7 Ų | 61.7 | 66% | 0.66 | 33% | 0.333 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 68.8 | 18.3 | -175.1 | 0 | 0 | 0 | 0 | 0 | 114.3 | M644 S645 | M644-G648 PolarHBondContact O-N 3.46Å; S645-G648 PolarHBondContact O-N 2.74Å |
| 649 | I | 86.3 | Confident | 88.3 | Confident | 17 Ų | 17 | 58.6 Ų | 58.6 | 9% | 0.087 | 33% | 0.328 | C | S | . | . | trans | -88.6 | 128.6 | -177.1 | -59.3 | 173.4 | 0 | 0 | 0 | 109.8 | L601 L614 M644 L647 L728 | L601-I649 HydrophobicContact CD1-CD1 4.11Å; L601-I649 HydrophobicContact CG-CD1 3.99Å; L614-I649 HydrophobicContact CD2-CG2 3.35Å; M644-I649 HydrophobicContact CE-CG2 4.11Å; M644-I649 PolarHBondContact O-N 3.01Å; L647-I649 HydrophobicContact CB-CD1 3.78Å; L647-I649 HydrophobicContact CB-CG1 3.84Å; L647-I649 HydrophobicContact CD1-CD1 3.94Å; L647-I649 PolarHBondContact O-N 3.01Å; I649-L728 HydrophobicContact CD1-CD1 4.35Å; I649-L728 HydrophobicContact CG1-CD1 4.38Å | ||
| 650 | R | 88.1 | Confident | 88 | Confident | 181 Ų | 181 | 59.5 Ų | 59.5 | 68% | 0.683 | 33% | 0.334 | S | S | * | . | trans | -100.3 | 129.5 | 175 | -59.3 | -170.7 | -64.1 | -170.1 | -1.7 | 110.5 | G610 | G610-R650 PolarHBondContact O-NH2 3.16Š| ||
| 651 | G | 89.6 | Confident | 87.7 | Confident | 35 Ų | 35 | 61.6 Ų | 61.6 | 36% | 0.361 | 35% | 0.346 | S | S | . | . | trans | 176.4 | 178.2 | 178.3 | 0 | 0 | 0 | 0 | 0 | 112.5 | L614 | L614-G651 CarbonylContact O-C 3.43Å; L614-G651 VanDerWaalsContact O-CA 3.25Å; L614-G651 WeakPolarHBondContact O-CA 3.22Å | ||
| 652 | F | 91.8 | Very high | 87.3 | Confident | 125 Ų | 125 | 55.5 Ų | 55.5 | 55% | 0.548 | 32% | 0.32 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.6 | 138.6 | 179.6 | -58.8 | -81.1 | 0 | 0 | 0 | 111 | L613 L614 M615 I616 | L613-F652 HydrophobicContact CD1-CD2 3.76Å; L613-F652 HydrophobicContact CD1-CE2 3.73Å; L614-F652 PolarHBondContact O-N 3.46Å; M615-F652 HydrophobicContact CE-CB 4.24Å; M615-F652 HydrophobicContact SD-CB 3.52Å; M615-F652 VanDerWaalsContact SD-CB 3.52Å; M615-F652 HydrophobicContact SD-CD2 3.74Å; M615-F652 HydrophobicContact SD-CG 3.97Å; I616-F652 PolarHBondContact N-O 3.29Å |
| 653 | V | 92.5 | Very high | 87 | Confident | 21 Ų | 21 | 58.1 Ų | 58.1 | 13% | 0.127 | 33% | 0.325 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.7 | 124.9 | 179.3 | -178.9 | 0 | 0 | 0 | 0 | 110.1 | I616 K637 I640 M644 V655 | I616-V653 WeakPolarHBondContact O-CA 3.34Å; K637-V653 HydrophobicContact CG-CB 4.37Å; K637-V653 HydrophobicContact CG-CG1 4.01Å; I640-V653 HydrophobicContact CB-CG1 3.84Å; I640-V653 HydrophobicContact CB-CG2 4.37Å; I640-V653 HydrophobicContact CD1-CG1 3.88Å; I640-V653 HydrophobicContact CG1-CG1 4.48Å; I640-V653 HydrophobicContact CG2-CB 4.36Å; I640-V653 HydrophobicContact CG2-CG1 3.71Å; I640-V653 HydrophobicContact CG2-CG2 3.65Å; M644-V653 HydrophobicContact SD-CG2 3.31Å; M644-V653 WeakPolarHBondContact SD-CG2 3.32Å; V653-V655 HydrophobicContact CG1-CG2 4.38Å |
| 654 | R | 91.3 | Very high | 87 | Confident | 103 Ų | 103 | 58.2 Ų | 58.2 | 39% | 0.389 | 33% | 0.327 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.3 | 131.9 | 174.5 | -166 | 177 | -176.5 | 169.4 | 7.9 | 109.8 | I616 T617 S618 I656 N668 | I616-R654 PolarHBondContact O-N 3.46Å; T617-R654 CarbonylContact C-O 3.52Å; T617-R654 VanDerWaalsContact CA-O 3.29Å; T617-R654 WeakPolarHBondContact CA-O 3.34Å; T617-R654 HydrophobicContact CG2-CB 4.43Å; S618-R654 PolarHBondContact N-O 2.99Å; R654-I656 HydrophobicContact CG-CD1 4.22Å; R654-I656 HydrophobicContact CG-CG1 3.92Å; R654-N668 WeakPolarHBondContact CD-OD1 3.41Å; R654-N668 PolarHBondContact NH1-OD1 3Å |
| 655 | V | 91.4 | Very high | 86.9 | Confident | 16 Ų | 16 | 58.2 Ų | 58.2 | 10% | 0.097 | 33% | 0.327 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -123.5 | 120.5 | 174.5 | 179.5 | 0 | 0 | 0 | 0 | 107.6 | S618 I620 I633 K636 K637 I640 V653 | S618-V655 CarbonylContact O-C 3.57Å; S618-V655 VanDerWaalsContact O-CA 3.27Å; S618-V655 WeakPolarHBondContact O-CA 3.48Å; I620-V655 HydrophobicContact CD1-CG1 3.43Å; I620-V655 VanDerWaalsContact CD1-CG1 3.43Å; I620-V655 HydrophobicContact CG1-CG1 3.77Å; I633-V655 HydrophobicContact CB-CG1 4.5Å; I633-V655 HydrophobicContact CG1-CG1 4.28Å; I633-V655 HydrophobicContact CG2-CB 4.21Å; I633-V655 HydrophobicContact CG2-CG1 4.41Å; K636-V655 HydrophobicContact CB-CG1 4.36Å; K636-V655 HydrophobicContact CB-CG2 4.42Å; K636-V655 HydrophobicContact CD-CG1 3.99Å; K636-V655 HydrophobicContact CG-CG1 4.42Å; K636-V655 HydrophobicContact CG-CG2 4.33Å; K637-V655 HydrophobicContact CB-CG2 4.09Å; I640-V655 HydrophobicContact CD1-CG2 4.12Å; V653-V655 HydrophobicContact CG1-CG2 4.38Å |
| 656 | I | 89.9 | Confident | 86.7 | Confident | 29 Ų | 29 | 55.1 Ų | 55.1 | 15% | 0.149 | 31% | 0.305 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -115.6 | 118.5 | -172.2 | -56.7 | 177.3 | 0 | 0 | 0 | 109.1 | T617 S618 F619 I620 R654 N668 | T617-I656 HydrophobicContact CG2-CD1 3.82Å; T617-I656 HydrophobicContact CG2-CG1 4.2Å; S618-I656 PolarHBondContact O-N 3.42Å; F619-I656 CarbonylContact C-O 3.57Å; F619-I656 VanDerWaalsContact CA-O 3.29Å; F619-I656 WeakPolarHBondContact CA-O 3.35Å; F619-I656 HydrophobicContact CD1-CB 3.89Å; F619-I656 HydrophobicContact CD1-CG2 4.28Å; F619-I656 HydrophobicContact CE1-CB 4.09Å; F619-I656 HydrophobicContact CE1-CD1 3.94Å; F619-I656 HydrophobicContact CE1-CG2 4.38Å; I620-I656 PolarHBondContact N-O 3.38Å; R654-I656 HydrophobicContact CG-CD1 4.22Å; R654-I656 HydrophobicContact CG-CG1 3.92Å; I656-N668 HydrophobicContact CD1-CB 3.76Å; I656-N668 VanDerWaalsContact CD1-CG 3.46Å; I656-N668 VanDerWaalsContact CD1-OD1 3.29Å; I656-N668 WeakPolarHBondContact CD1-OD1 3.47Å |
| 657 | P | 90.1 | Very high | 86.7 | Confident | 34 Ų | 34 | 55.5 Ų | 55.5 | 22% | 0.221 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73.4 | 134.3 | 168 | 32.7 | -35.4 | 0 | 0 | 0 | 109.9 | I620 V622 F625 I633 | I620-P657 CarbonylContact O-C 3.55Å; I620-P657 WeakPolarHBondContact O-CA 3.38Å; V622-P657 HydrophobicContact CG2-CB 4.24Å; F625-P657 HydrophobicContact CD1-CB 4.33Å; F625-P657 HydrophobicContact CD1-CG 4.36Å; F625-P657 HydrophobicContact CE1-CB 3.77Å; F625-P657 HydrophobicContact CE1-CG 3.8Å; I633-P657 HydrophobicContact CD1-CB 4.34Å; I633-P657 HydrophobicContact CD1-CG 3.86Å |
| 658 | C | 86.6 | Confident | 86.9 | Confident | 8 Ų | 8 | 54.1 Ų | 54.1 | 5% | 0.054 | 30% | 0.296 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -142.9 | 150.1 | -179.1 | 60.3 | 0 | 0 | 0 | 0 | 112 | I620 C621 V622 A664 | I620-C658 PolarHBondContact O-N 3.43Å; C621-C658 VanDerWaalsContact CA-O 3.28Å; C621-C658 WeakPolarHBondContact CA-O 3.46Å; V622-C658 PolarHBondContact N-O 3.07Å; C658-A664 HydrophobicContact CB-CB 3.45Å; C658-A664 VanDerWaalsContact CB-CB 3.45Å |
| 659 | T | 85.4 | Confident | 87 | Confident | 102 Ų | 102 | 51.3 Ų | 51.3 | 63% | 0.626 | 27% | 0.267 | S | S | * | . | S | Bend | trans | -88.3 | -45.7 | 167.6 | 50 | 0 | 0 | 0 | 0 | 110.3 | F625 | F625-T659 HydrophobicContact CE2-CG2 4.38Š|
| 660 | N | 82.9 | Confident | 86.9 | Confident | 81 Ų | 81 | 56 Ų | 56 | 43% | 0.433 | 29% | 0.292 | S | S | . | . | trans | -109.8 | 116.2 | 174 | -171.4 | -9.4 | 0 | 0 | 0 | 110.6 | A662 E663 A664 | N660-A662 PolarHBondContact OD1-N 3.31Å; N660-A662 VanDerWaalsContact OD1-N 3.16Å; N660-E663 HydrophobicContact CB-CB 4.27Å; N660-A664 WeakPolarHBondContact O-CB 3.35Å; N660-A664 PolarHBondContact O-N 2.93Å | ||
| 661 | L | 81.6 | Confident | 86.8 | Confident | 45 Ų | 45 | 49.8 Ų | 49.8 | 24% | 0.236 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -67.7 | -37.2 | -177.4 | -177.3 | 66.4 | 0 | 0 | 0 | 112.4 | F619 M665 F704 | F619-L661 HydrophobicContact CB-CD1 3.32Å; F619-L661 HydrophobicContact CD1-CD1 4.23Å; F619-L661 HydrophobicContact CD2-CD1 3.66Å; F619-L661 HydrophobicContact CG-CD1 3.47Å; F619-L661 VanDerWaalsContact CG-CD1 3.47Å; L661-M665 WeakPolarHBondContact O-CB 3.48Å; L661-M665 PolarHBondContact O-N 3.18Å; L661-F704 HydrophobicContact CB-CD2 4.35Å; L661-F704 HydrophobicContact CB-CE2 4.37Å; L661-F704 HydrophobicContact CD2-CD2 3.91Å; L661-F704 HydrophobicContact CD2-CE2 3.35Å; L661-F704 HydrophobicContact CD2-CZ 3.69Å; L661-F704 HydrophobicContact CG-CD2 3.93Å; L661-F704 HydrophobicContact CG-CE2 3.47Å; L661-F704 VanDerWaalsContact CG-CE2 3.47Å; L661-F704 HydrophobicContact CG-CZ 4.28Å |
| 662 | A | 80.5 | Confident | 86.8 | Confident | 6 Ų | 6 | 48.5 Ų | 48.5 | 5% | 0.05 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -64.7 | -51.9 | -177 | 0 | 0 | 0 | 0 | 0 | 110.9 | N660 M665 C666 F704 A707 | N660-A662 PolarHBondContact OD1-N 3.31Å; N660-A662 VanDerWaalsContact OD1-N 3.16Å; A662-M665 PolarHBondContact O-N 3.17Å; A662-C666 PolarHBondContact O-N 2.94Å; A662-C666 PolarHBondContact O-SG 3.46Å; A662-F704 HydrophobicContact CB-CB 4.11Å; A662-F704 HydrophobicContact CB-CD2 4.12Å; A662-A707 HydrophobicContact CB-CB 4.29Å |
| 663 | E | 82.9 | Confident | 86.5 | Confident | 124 Ų | 124 | 44.2 Ų | 44.2 | 58% | 0.579 | 26% | 0.261 | S | S | * | . | H | α-helix | trans | -61.7 | -47 | 179 | -171.9 | -178.9 | 177 | 0 | 0 | 111.8 | N660 M665 C666 V667 | N660-E663 HydrophobicContact CB-CB 4.27Å; E663-M665 PolarHBondContact O-N 3.01Å; E663-C666 WeakPolarHBondContact O-CB 3.46Å; E663-C666 PolarHBondContact O-N 2.94Å; E663-V667 HydrophobicContact CG-CG2 4.45Å; E663-V667 VanDerWaalsContact O-CG2 3.3Å; E663-V667 WeakPolarHBondContact O-CG2 3.3Å; E663-V667 PolarHBondContact O-N 3.28Å |
| 664 | A | 85.7 | Confident | 86.3 | Confident | 18 Ų | 18 | 49 Ų | 49 | 15% | 0.149 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -60.3 | -36.6 | 179.1 | 0 | 0 | 0 | 0 | 0 | 112.5 | F619 C658 N660 N668 | F619-A664 HydrophobicContact CD1-CB 4.07Å; F619-A664 HydrophobicContact CE1-CB 3.95Å; C658-A664 HydrophobicContact CB-CB 3.45Å; C658-A664 VanDerWaalsContact CB-CB 3.45Å; N660-A664 WeakPolarHBondContact O-CB 3.35Å; N660-A664 PolarHBondContact O-N 2.93Å; A664-N668 VanDerWaalsContact O-CB 3.26Å; A664-N668 WeakPolarHBondContact O-CB 3.39Å; A664-N668 PolarHBondContact O-N 3.17Å |
| 665 | M | 85 | Confident | 85.8 | Confident | 5 Ų | 5 | 45.8 Ų | 45.8 | 3% | 0.025 | 28% | 0.284 | C | S | . | . | H | α-helix | trans | -72.5 | -40 | 177 | -173.4 | 164.9 | 156.2 | 0 | 0 | 112.7 | Y585 F619 L661 A662 E663 N668 T669 L684 F704 I708 | Y585-M665 HydrophobicContact CD1-SD 4.43Å; Y585-M665 HydrophobicContact CD2-CE 3.49Å; Y585-M665 VanDerWaalsContact CD2-CE 3.49Å; Y585-M665 HydrophobicContact CD2-SD 4.27Å; Y585-M665 HydrophobicContact CE1-CG 4.08Å; Y585-M665 HydrophobicContact CE2-CE 3.63Å; Y585-M665 HydrophobicContact CE2-CG 4.09Å; Y585-M665 HydrophobicContact CE2-SD 4.37Å; Y585-M665 HydrophobicContact CG-CE 4.02Å; Y585-M665 HydrophobicContact CG-SD 4.26Å; Y585-M665 PolarHBondContact OH-O 2.92Å; F619-M665 HydrophobicContact CE1-CB 4.48Å; F619-M665 HydrophobicContact CE2-CB 3.97Å; F619-M665 HydrophobicContact CE2-CG 4.02Å; F619-M665 HydrophobicContact CE2-SD 4.21Å; F619-M665 HydrophobicContact CZ-CB 3.76Å; F619-M665 HydrophobicContact CZ-CG 4.04Å; L661-M665 WeakPolarHBondContact O-CB 3.48Å; L661-M665 PolarHBondContact O-N 3.18Å; A662-M665 PolarHBondContact O-N 3.17Å; E663-M665 PolarHBondContact O-N 3.01Å; M665-N668 PolarHBondContact O-N 3.42Å; M665-T669 WeakPolarHBondContact O-CB 3.23Å; M665-T669 PolarHBondContact O-N 3.01Å; M665-T669 PolarHBondContact O-OG1 2.93Å; M665-L684 HydrophobicContact CE-CD1 3.5Å; M665-L684 HydrophobicContact CE-CD2 3.41Å; M665-L684 VanDerWaalsContact CE-CD2 3.41Å; M665-L684 HydrophobicContact CE-CG 3.96Å; M665-L684 HydrophobicContact SD-CD2 4.32Å; M665-F704 HydrophobicContact SD-CE2 4.23Å; M665-I708 HydrophobicContact CE-CB 4.07Å; M665-I708 HydrophobicContact CE-CD1 3.49Å; M665-I708 VanDerWaalsContact CE-CD1 3.49Å; M665-I708 HydrophobicContact CE-CG1 3.39Å; M665-I708 HydrophobicContact CE-CG2 3.65Å; M665-I708 HydrophobicContact CG-CG1 4.38Å; M665-I708 HydrophobicContact SD-CD1 3.43Å; M665-I708 WeakPolarHBondContact SD-CD1 3.42Å; M665-I708 HydrophobicContact SD-CG1 3.59Å; M665-I708 VanDerWaalsContact SD-CG1 3.59Å |
| 666 | C | 84.1 | Confident | 85.2 | Confident | 24 Ų | 24 | 46 Ų | 46 | 16% | 0.162 | 29% | 0.289 | C | S | . | . | H | α-helix | trans | -58.1 | -51.9 | 171.7 | -66.2 | 0 | 0 | 0 | 0 | 111.3 | A662 E663 N668 T669 L670 T711 | A662-C666 PolarHBondContact O-N 2.94Å; A662-C666 PolarHBondContact O-SG 3.46Å; E663-C666 WeakPolarHBondContact O-CB 3.46Å; E663-C666 PolarHBondContact O-N 2.94Å; C666-N668 VanDerWaalsContact C-N 3.34Å; C666-N668 PolarHBondContact O-N 3.45Å; C666-T669 PolarHBondContact O-N 2.63Å; C666-L670 PolarHBondContact O-N 2.95Å; C666-L670 VanDerWaalsContact O-N 3.13Å; C666-T711 HydrophobicContact CB-CG2 3.76Å; C666-T711 WeakPolarHBondContact SG-CG2 3.35Å |
| 667 | V | 86.9 | Confident | 85 | Confident | 94 Ų | 94 | 48.2 Ų | 48.2 | 57% | 0.57 | 30% | 0.301 | S | S | * | . | H | α-helix | trans | -60.2 | -43.8 | -179.7 | 172.7 | 0 | 0 | 0 | 0 | 111 | E663 L670 G671 | E663-V667 HydrophobicContact CG-CG2 4.45Å; E663-V667 VanDerWaalsContact O-CG2 3.3Å; E663-V667 WeakPolarHBondContact O-CG2 3.3Å; E663-V667 PolarHBondContact O-N 3.28Å; V667-L670 PolarHBondContact O-N 2.85Å; V667-G671 WeakPolarHBondContact O-CA 3.3Å; V667-G671 PolarHBondContact O-N 3.01Å |
| 668 | N | 88.7 | Confident | 84.9 | Confident | 4 Ų | 4 | 52 Ų | 52 | 2% | 0.021 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -72.2 | -28.4 | 178.7 | -175.9 | 68.2 | 0 | 0 | 0 | 113.4 | Q583 Y585 T617 F619 R654 I656 A664 M665 C666 L670 A672 | Q583-N668 PolarHBondContact NE2-ND2 3.15Å; Q583-N668 PolarHBondContact NE2-O 3.43Å; Y585-N668 WeakPolarHBondContact CE1-ND2 3.28Å; Y585-N668 PolarHBondContact OH-ND2 3.02Å; Y585-N668 VanDerWaalsContact OH-ND2 3.08Å; T617-N668 WeakPolarHBondContact CG2-ND2 3.18Å; T617-N668 PolarHBondContact OG1-ND2 3.04Å; F619-N668 HydrophobicContact CE1-CB 4.49Å; F619-N668 HydrophobicContact CZ-CB 4.37Å; R654-N668 WeakPolarHBondContact CD-OD1 3.41Å; R654-N668 PolarHBondContact NH1-OD1 3Å; I656-N668 HydrophobicContact CD1-CB 3.76Å; I656-N668 VanDerWaalsContact CD1-CG 3.46Å; I656-N668 VanDerWaalsContact CD1-OD1 3.29Å; I656-N668 WeakPolarHBondContact CD1-OD1 3.47Å; A664-N668 VanDerWaalsContact O-CB 3.26Å; A664-N668 WeakPolarHBondContact O-CB 3.39Å; A664-N668 PolarHBondContact O-N 3.17Å; M665-N668 PolarHBondContact O-N 3.42Å; C666-N668 VanDerWaalsContact C-N 3.34Å; C666-N668 PolarHBondContact O-N 3.45Å; N668-L670 VanDerWaalsContact C-N 3.35Å; N668-A672 WeakPolarHBondContact O-CB 3.14Å; N668-A672 PolarHBondContact O-N 3.02Å; N668-A672 VanDerWaalsContact O-N 3.09Å |
| 669 | T | 86.2 | Confident | 85.1 | Confident | 6 Ų | 6 | 51.9 Ų | 51.9 | 4% | 0.037 | 31% | 0.31 | C | S | . | . | H | α-helix | trans | -69.5 | -37.2 | 176.5 | -57.4 | 0 | 0 | 0 | 0 | 110.9 | Y585 M665 C666 V682 M716 | Y585-T669 WeakPolarHBondContact OH-CA 3.27Å; Y585-T669 PolarHBondContact OH-N 2.77Å; Y585-T669 PolarHBondContact OH-OG1 2.8Å; M665-T669 WeakPolarHBondContact O-CB 3.23Å; M665-T669 PolarHBondContact O-N 3.01Å; M665-T669 PolarHBondContact O-OG1 2.93Å; C666-T669 PolarHBondContact O-N 2.63Å; T669-V682 HydrophobicContact CG2-CG2 3.61Å; T669-M716 HydrophobicContact CG2-CE 4.42Å; T669-M716 HydrophobicContact CG2-CG 4.23Å |
| 670 | L | 83.7 | Confident | 85.2 | Confident | 116 Ų | 116 | 47.8 Ų | 47.8 | 61% | 0.607 | 28% | 0.284 | S | S | * | . | H | α-helix | trans | -83.5 | -30.5 | 178.5 | -62.5 | 174 | 0 | 0 | 0 | 113.2 | C666 V667 N668 | C666-L670 PolarHBondContact O-N 2.95Å; C666-L670 VanDerWaalsContact O-N 3.13Å; V667-L670 PolarHBondContact O-N 2.85Å; N668-L670 VanDerWaalsContact C-N 3.35Å |
| 671 | G | 85.7 | Confident | 85.5 | Confident | 50 Ų | 50 | 43.9 Ų | 43.9 | 52% | 0.515 | 26% | 0.263 | S | S | . | . | S | Bend | trans | -110.4 | 15.5 | -173.2 | 0 | 0 | 0 | 0 | 0 | 115.7 | V667 | V667-G671 WeakPolarHBondContact O-CA 3.3Å; V667-G671 PolarHBondContact O-N 3.01Å |
| 672 | A | 89 | Confident | 85.9 | Confident | 8 Ų | 8 | 41.8 Ų | 41.8 | 7% | 0.066 | 25% | 0.252 | C | S | . | . | trans | -83.1 | 141.3 | 174.2 | 0 | 0 | 0 | 0 | 0 | 111.9 | N668 P679 | N668-A672 WeakPolarHBondContact O-CB 3.14Å; N668-A672 PolarHBondContact O-N 3.02Å; N668-A672 VanDerWaalsContact O-N 3.09Å; A672-P679 HydrophobicContact CB-CG 3.77Å; A672-P679 WeakPolarHBondContact O-CD 3.31Å | ||
| 673 | G | 87 | Confident | 86.4 | Confident | 35 Ų | 35 | 41.5 Ų | 41.5 | 36% | 0.361 | 25% | 0.25 | S | C | . | . | S | Bend | trans | 99.8 | -178.3 | 179.6 | 0 | 0 | 0 | 0 | 0 | 113.9 | L677 | G673-L677 WeakPolarHBondContact CA-O 3.43Š|
| 674 | I | 86.7 | Confident | 86.5 | Confident | 120 Ų | 120 | 36.6 Ų | 36.6 | 62% | 0.615 | 23% | 0.228 | S | C | * | . | B | Isolated β-bridge | trans | -138.7 | 121.9 | 176.8 | -59.1 | 176.1 | 0 | 0 | 0 | 108.5 | L565 G676 L677 | L565-I674 HydrophobicContact CD1-CG2 4.34Å; I674-G676 PolarHBondContact O-N 3.25Å; I674-L677 PolarHBondContact N-O 2.88Å; I674-L677 VanDerWaalsContact N-O 3.07Å; I674-L677 WeakPolarHBondContact O-CB 3.11Å; I674-L677 PolarHBondContact O-N 3.31Å |
| 675 | G | 80.9 | Confident | 86.4 | Confident | 37 Ų | 37 | 41.4 Ų | 41.4 | 38% | 0.381 | 24% | 0.242 | S | C | . | . | T | Hydrogen-bonded Turn | trans | 53.2 | -131.7 | -178.5 | 0 | 0 | 0 | 0 | 0 | 113 | D570 L677 | D570-G675 WeakPolarHBondContact OD1-CA 3.47Å; G675-L677 PolarHBondContact O-N 3.48Å |
| 676 | G | 79.9 | Confident | 86.3 | Confident | 21 Ų | 21 | 41.5 Ų | 41.5 | 22% | 0.216 | 24% | 0.242 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -64.1 | -15.6 | 174.3 | 0 | 0 | 0 | 0 | 0 | 115.6 | D570 I674 R678 | D570-G676 PolarHBondContact OD1-N 2.92Å; I674-G676 PolarHBondContact O-N 3.25Å; G676-R678 PolarHBondContact O-N 2.89Å |
| 677 | L | 86.2 | Confident | 86.1 | Confident | 75 Ų | 75 | 41.7 Ų | 41.7 | 39% | 0.393 | 24% | 0.243 | S | C | . | . | B | Isolated β-bridge | trans | -89.3 | 72.5 | 177.6 | -168.5 | 70.6 | 0 | 0 | 0 | 110.9 | L565 L613 G673 I674 G675 | L565-L677 HydrophobicContact CD2-CB 3.78Å; L565-L677 HydrophobicContact CD2-CD2 4.23Å; L613-L677 HydrophobicContact CB-CD1 4.34Å; L613-L677 HydrophobicContact CD1-CD1 4.33Å; L613-L677 HydrophobicContact CD1-CD2 4.46Å; L613-L677 HydrophobicContact CD1-CG 4.24Å; L613-L677 HydrophobicContact CD2-CD1 4.27Å; L613-L677 HydrophobicContact CD2-CG 4.16Å; G673-L677 WeakPolarHBondContact CA-O 3.43Å; I674-L677 PolarHBondContact N-O 2.88Å; I674-L677 VanDerWaalsContact N-O 3.07Å; I674-L677 WeakPolarHBondContact O-CB 3.11Å; I674-L677 PolarHBondContact O-N 3.31Å; G675-L677 PolarHBondContact O-N 3.48Å |
| 678 | R | 87.5 | Confident | 85.5 | Confident | 113 Ų | 113 | 41.2 Ų | 41.2 | 43% | 0.426 | 24% | 0.24 | S | C | . | . | trans | -119.4 | 148.6 | 179.4 | 64.5 | -175.7 | -179.1 | -168.8 | -2.6 | 112.4 | D572 G676 | D572-R678 IonicContact OD1-CZ 3.93Å; D572-R678 IonicContact OD1-NH2 3.04Å; D572-R678 PolarHBondContact OD1-NH2 3.3Å; G676-R678 PolarHBondContact O-N 2.89Å | ||
| 679 | P | 89.9 | Confident | 84.7 | Confident | 5 Ų | 5 | 45.9 Ų | 45.9 | 3% | 0.032 | 26% | 0.262 | C | S | . | . | trans | -64.6 | 149 | 167.1 | 30 | -30.9 | 0 | 0 | 0 | 109.2 | Q581 Q583 A672 M716 | Q581-P679 WeakPolarHBondContact O-CA 3.1Å; Q583-P679 HydrophobicContact CB-CB 3.72Å; Q583-P679 HydrophobicContact CB-CG 4.1Å; A672-P679 HydrophobicContact CB-CG 3.77Å; A672-P679 WeakPolarHBondContact O-CD 3.31Å; P679-M716 VanDerWaalsContact C-CE 3.5Å; P679-M716 HydrophobicContact CB-CE 4.06Å; P679-M716 HydrophobicContact CG-CE 4.09Å; P679-M716 WeakPolarHBondContact O-CE 3.26Å | ||
| 680 | N | 87.8 | Confident | 84.2 | Confident | 16 Ų | 16 | 46.3 Ų | 46.3 | 9% | 0.086 | 26% | 0.263 | C | S | . | . | trans | -125.4 | -2.2 | 173.7 | 66.9 | 6.7 | 0 | 0 | 0 | 112.1 | W578 R579 Q581 M716 C717 | W578-N680 PolarHBondContact NE1-ND2 3.11Å; R579-N680 PolarHBondContact O-ND2 3.36Å; Q581-N680 PolarHBondContact N-OD1 3.41Å; Q581-N680 PolarHBondContact O-N 2.81Å; Q581-N680 PolarHBondContact O-OD1 3.01Å; N680-M716 WeakPolarHBondContact CA-SD 3.28Å; N680-M716 WeakPolarHBondContact O-CA 3.16Å; N680-C717 PolarHBondContact O-N 3Å | ||
| 681 | T | 89.6 | Confident | 83.6 | Confident | 0 Ų | 0 | 46.4 Ų | 46.4 | 0% | 0 | 26% | 0.261 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -137.7 | 123.1 | -175.9 | -55.8 | 0 | 0 | 0 | 0 | 109.1 | Q581 L582 Q583 C717 L719 | Q581-T681 PolarHBondContact O-N 3.04Å; L582-T681 CarbonylContact C-O 3.6Å; L582-T681 WeakPolarHBondContact CA-O 3.4Å; L582-T681 HydrophobicContact CD2-CG2 3.61Å; Q583-T681 PolarHBondContact N-O 2.91Å; T681-C717 CarbonylContact C-O 3.57Å; T681-C717 VanDerWaalsContact CA-O 3.26Å; T681-C717 WeakPolarHBondContact CA-O 3.12Å; T681-C717 HydrophobicContact CG2-CB 3.9Å; T681-L719 HydrophobicContact CG2-CD1 3.62Å; T681-L719 HydrophobicContact CG2-CG 3.73Å |
| 682 | V | 90.2 | Very high | 83 | Confident | 1 Ų | 1 | 47.5 Ų | 47.5 | 1% | 0.006 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -95.7 | 131.3 | 175.1 | 178.9 | 0 | 0 | 0 | 0 | 109.2 | Q583 Y585 T669 L684 M716 C717 L718 L719 | Q583-V682 WeakPolarHBondContact O-CA 3.38Å; Y585-V682 HydrophobicContact CD2-CG1 3.54Å; Y585-V682 HydrophobicContact CE2-CG1 3.55Å; Y585-V682 HydrophobicContact CE2-CG2 4.46Å; T669-V682 HydrophobicContact CG2-CG2 3.61Å; V682-L684 HydrophobicContact CG1-CD1 3.55Å; V682-L684 HydrophobicContact CG1-CG 3.94Å; V682-M716 HydrophobicContact CG2-CB 4.22Å; V682-M716 HydrophobicContact CG2-CE 4.05Å; V682-M716 HydrophobicContact CG2-CG 4.49Å; V682-C717 PolarHBondContact N-O 2.88Å; V682-L718 HydrophobicContact CB-CD1 4.34Å; V682-L718 HydrophobicContact CG1-CD1 4.31Å; V682-L719 PolarHBondContact O-N 3.1Å |
| 683 | M | 90 | Very high | 81.5 | Confident | 0 Ų | 0 | 54.8 Ų | 54.8 | 0% | 0 | 28% | 0.283 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -117 | 126.4 | 174 | -177.3 | 174.6 | -73.4 | 0 | 0 | 110.5 | L582 Q583 V584 Y585 L603 A604 L607 L719 | L582-M683 HydrophobicContact CD1-CE 4.49Å; Q583-M683 PolarHBondContact O-N 3.28Å; V584-M683 HydrophobicContact CG2-CB 4.23Å; V584-M683 HydrophobicContact CG2-SD 4.49Å; Y585-M683 PolarHBondContact N-O 3.45Å; L603-M683 HydrophobicContact CB-SD 4.37Å; L603-M683 HydrophobicContact CD2-CE 3.85Å; L603-M683 HydrophobicContact CD2-SD 4.25Å; L603-M683 HydrophobicContact CG-CE 4.07Å; L603-M683 HydrophobicContact CG-SD 4.43Å; A604-M683 HydrophobicContact CB-SD 4.05Å; L607-M683 HydrophobicContact CD1-CE 3.57Å; M683-L719 WeakPolarHBondContact CA-O 3.48Å; M683-L719 HydrophobicContact CB-CB 4.46Å; M683-L719 HydrophobicContact CE-CB 4.03Å; M683-L719 HydrophobicContact CE-CD1 3.72Å; M683-L719 HydrophobicContact CG-CB 4.44Å |
| 684 | L | 86.2 | Confident | 80.4 | Confident | 21 Ų | 21 | 62 Ų | 62 | 11% | 0.11 | 30% | 0.304 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -138.7 | 135.7 | -175.2 | -76.8 | 150.5 | 0 | 0 | 0 | 110.3 | Y585 M665 V682 I708 L718 L719 L720 P721 | Y585-L684 HydrophobicContact CD2-CD1 4.41Å; Y585-L684 HydrophobicContact CD2-CD2 3.85Å; Y585-L684 HydrophobicContact CD2-CG 4Å; Y585-L684 HydrophobicContact CG-CD2 3.98Å; M665-L684 HydrophobicContact CE-CD1 3.5Å; M665-L684 HydrophobicContact CE-CD2 3.41Å; M665-L684 VanDerWaalsContact CE-CD2 3.41Å; M665-L684 HydrophobicContact CE-CG 3.96Å; M665-L684 HydrophobicContact SD-CD2 4.32Å; V682-L684 HydrophobicContact CG1-CD1 3.55Å; V682-L684 HydrophobicContact CG1-CG 3.94Å; L684-I708 HydrophobicContact CD1-CG2 3.41Å; L684-I708 VanDerWaalsContact CD1-CG2 3.41Å; L684-L718 HydrophobicContact CD1-CD1 3.84Å; L684-L719 PolarHBondContact N-O 2.95Å; L684-L719 VanDerWaalsContact N-O 3.09Å; L684-L720 HydrophobicContact CB-CD2 3.6Å; L684-L720 WeakPolarHBondContact O-CA 3.39Å; L684-L720 VanDerWaalsContact O-CD2 3.24Å; L684-L720 WeakPolarHBondContact O-CD2 3.29Å; L684-P721 WeakPolarHBondContact O-CD 3.45Å |
| 685 | R | 83.6 | Confident | 79.3 | Confident | 118 Ų | 118 | 59.1 Ų | 59.1 | 45% | 0.445 | 29% | 0.285 | S | S | . | . | P | Polyproline II helix | trans | -65.8 | 139.3 | 174 | -174.9 | 174 | 173.5 | 169.2 | -2.3 | 111 | E598 S600 | E598-R685 IonicContact OE1-NH1 2.76Å; E598-R685 PolarHBondContact OE1-NH1 3.3Å; E598-R685 VanDerWaalsContact OE1-NH1 3.15Å; E598-R685 IonicContact OE2-NH1 2.68Å; E598-R685 PolarHBondContact OE2-NH1 2.9Å; S600-R685 PolarHBondContact OG-N 2.95Å |
| 686 | W | 83.4 | Confident | 78.3 | Confident | 8 Ų | 8 | 61 Ų | 61 | 3% | 0.03 | 29% | 0.286 | C | S | . | . | P | Polyproline II helix | trans | -59 | 133.7 | 172 | -174.1 | -105.8 | 0 | 0 | 0 | 111.3 | T688 F709 L720 P721 K722 L901 V904 E905 L916 | W686-T688 PolarHBondContact O-N 3.39Å; W686-F709 HydrophobicContact CZ3-CZ 4.46Å; W686-L720 HydrophobicContact CE3-CB 4.46Å; W686-L720 HydrophobicContact CE3-CD1 4.02Å; W686-L720 HydrophobicContact CZ3-CD1 4.01Å; W686-P721 PolarHBondContact N-O 3.23Å; W686-K722 HydrophobicContact CB-CB 3.86Å; W686-K722 HydrophobicContact CB-CG 4.14Å; W686-K722 HydrophobicContact CD2-CD 4.24Å; W686-K722 HydrophobicContact CG-CB 4.07Å; W686-K722 HydrophobicContact CG-CD 3.95Å; W686-K722 HydrophobicContact CG-CG 3.95Å; W686-L901 HydrophobicContact CH2-CD2 3.63Å; W686-L901 HydrophobicContact CZ2-CD2 4.17Å; W686-L901 HydrophobicContact CZ3-CD2 4.3Å; W686-V904 HydrophobicContact CH2-CB 3.73Å; W686-V904 HydrophobicContact CH2-CG1 3.34Å; W686-V904 HydrophobicContact CZ2-CB 4.36Å; W686-V904 HydrophobicContact CZ2-CG1 4Å; W686-V904 HydrophobicContact CZ3-CG1 3.8Å; W686-E905 PolarHBondContact NE1-OE2 3.12Å; W686-L916 HydrophobicContact CE3-CD1 3.96Å; W686-L916 HydrophobicContact CZ3-CD1 3.92Å |
| 687 | P | 79.9 | Confident | 77.4 | Confident | 28 Ų | 28 | 66.8 Ų | 66.8 | 18% | 0.182 | 31% | 0.305 | C | S | . | . | P | Polyproline II helix | trans | -67.5 | 118.7 | 174.8 | 28 | -33.5 | 0 | 0 | 0 | 109.6 | W690 I705 | P687-W690 HydrophobicContact CB-CB 4.33Å; P687-W690 VanDerWaalsContact O-CD1 3.22Å; P687-I705 HydrophobicContact CG-CD1 4.43Å |
| 688 | T | 73.4 | Confident | 76.6 | Confident | 84 Ų | 84 | 66.5 Ų | 66.5 | 52% | 0.515 | 30% | 0.304 | S | S | . | . | S | Bend | trans | -88.4 | -23.8 | -177.2 | 50.7 | 0 | 0 | 0 | 0 | 114.1 | W686 | W686-T688 PolarHBondContact O-N 3.39Š|
| 689 | H | 72.4 | Confident | 75.8 | Confident | 102 Ų | 102 | 65.6 Ų | 65.6 | 47% | 0.472 | 31% | 0.311 | S | S | . | . | trans | -121.7 | 39.9 | -174.3 | -51.8 | -72.7 | 0 | 0 | 0 | 112 | M691 D692 R695 | H689-M691 VanDerWaalsContact C-N 3.3Å; H689-D692 WeakPolarHBondContact CB-OD2 3.42Å; H689-R695 VanDerWaalsContact C-NH1 3.32Å; H689-R695 WeakPolarHBondContact O-CD 3.49Å; H689-R695 PolarHBondContact O-NH1 3.37Å | ||
| 690 | W | 75.5 | Confident | 74.7 | Confident | 14 Ų | 14 | 71.3 Ų | 71.3 | 5% | 0.053 | 34% | 0.341 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -74.9 | -22.8 | -179.9 | 62.3 | -91.4 | 0 | 0 | 0 | 112.6 | P687 D692 Y701 W702 L901 E902 E905 | P687-W690 HydrophobicContact CB-CB 4.33Å; P687-W690 VanDerWaalsContact O-CD1 3.22Å; W690-D692 PolarHBondContact O-N 3.27Å; W690-Y701 HydrophobicContact CB-CE1 4.14Å; W690-Y701 WeakPolarHBondContact CB-OH 3.44Å; W690-W702 HydrophobicContact CE3-CH2 4.04Å; W690-W702 HydrophobicContact CZ3-CH2 4.5Å; W690-L901 HydrophobicContact CB-CD1 4.36Å; W690-L901 HydrophobicContact CD2-CB 4.21Å; W690-L901 HydrophobicContact CD2-CD1 3.97Å; W690-L901 HydrophobicContact CE3-CB 4.27Å; W690-L901 HydrophobicContact CE3-CD1 4.14Å; W690-L901 HydrophobicContact CG-CD1 4.09Å; W690-L901 HydrophobicContact CH2-CB 4.02Å; W690-L901 HydrophobicContact CZ2-CB 3.95Å; W690-L901 HydrophobicContact CZ3-CB 4.17Å; W690-E902 HydrophobicContact CH2-CB 4.01Å; W690-E905 HydrophobicContact CZ2-CB 4.13Å; W690-E905 HydrophobicContact CZ2-CG 4.35Å |
| 691 | M | 71.5 | Confident | 74.1 | Confident | 118 Ų | 118 | 71.5 Ų | 71.5 | 58% | 0.581 | 34% | 0.341 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -75.2 | -1.6 | 175.8 | -63.5 | -169.8 | -121.2 | 0 | 0 | 114.1 | H689 Y693 L696 E905 | H689-M691 VanDerWaalsContact C-N 3.3Å; M691-Y693 PolarHBondContact O-N 2.91Å; M691-L696 VanDerWaalsContact O-CD1 3.26Å; M691-L696 WeakPolarHBondContact O-CD1 3.38Å; M691-E905 HydrophobicContact CE-CG 4.16Å |
| 692 | D | 72.7 | Confident | 73.4 | Confident | 74 Ų | 74 | 72.4 Ų | 72.4 | 40% | 0.396 | 34% | 0.344 | S | S | . | . | trans | -59.5 | 127.9 | 175.7 | -71 | -12 | 0 | 0 | 0 | 109.8 | H689 W690 K694 R695 L696 | H689-D692 WeakPolarHBondContact CB-OD2 3.42Å; W690-D692 PolarHBondContact O-N 3.27Å; D692-K694 PolarHBondContact O-N 3.36Å; D692-R695 HydrophobicContact CB-CB 4.49Å; D692-R695 HydrophobicContact CB-CG 4.33Å; D692-R695 PolarHBondContact O-N 3.02Å; D692-L696 PolarHBondContact O-N 3.38Å; D692-L696 VanDerWaalsContact O-N 3.08Å | ||
| 693 | Y | 57.9 | Low | 72.5 | Confident | 161 Ų | 161 | 74.8 Ų | 74.8 | 63% | 0.631 | 36% | 0.359 | S | S | * | . | H | α-helix | trans | -51.1 | -34.3 | -178.3 | -174.8 | -98.1 | 0 | 0 | 0 | 113.5 | M691 K697 | M691-Y693 PolarHBondContact O-N 2.91Å; Y693-K697 HydrophobicContact CE1-CD 4.18Å; Y693-K697 WeakPolarHBondContact OH-CE 3.45Å; Y693-K697 PolarHBondContact OH-NZ 3.09Å |
| 694 | K | 62.9 | Low | 71.8 | Confident | 185 Ų | 185 | 76.6 Ų | 76.6 | 80% | 0.804 | 37% | 0.367 | S | S | * | . | H | α-helix | trans | -66.7 | -34.7 | 176.5 | -71.2 | -174.9 | 178.8 | 179.1 | 0 | 113.3 | D692 | D692-K694 PolarHBondContact O-N 3.36Å |
| 695 | R | 63.7 | Low | 71.4 | Confident | 60 Ų | 60 | 76 Ų | 76 | 23% | 0.226 | 36% | 0.364 | C | S | . | . | H | α-helix | trans | -83.1 | -31.8 | -179.8 | -67.5 | -173.2 | -172.9 | 165 | 4.1 | 112.4 | H689 D692 K697 D698 Y701 W702 | H689-R695 VanDerWaalsContact C-NH1 3.32Å; H689-R695 WeakPolarHBondContact O-CD 3.49Å; H689-R695 PolarHBondContact O-NH1 3.37Å; D692-R695 HydrophobicContact CB-CB 4.49Å; D692-R695 HydrophobicContact CB-CG 4.33Å; D692-R695 PolarHBondContact O-N 3.02Å; R695-K697 PolarHBondContact O-N 2.86Å; R695-D698 PolarHBondContact O-N 3.37Å; R695-Y701 HydrophobicContact CB-CD1 4.09Å; R695-Y701 HydrophobicContact CB-CE1 4.21Å; R695-Y701 HydrophobicContact CB-CG 4.49Å; R695-W702 PolarHBondContact O-NE1 3.07Å |
| 696 | L | 60.8 | Low | 71.1 | Confident | 78 Ų | 78 | 72.1 Ų | 72.1 | 41% | 0.408 | 35% | 0.351 | S | S | . | . | H | α-helix | trans | -57 | -35.1 | 173.5 | -78.7 | 155.8 | 0 | 0 | 0 | 112 | M691 D692 W702 | M691-L696 VanDerWaalsContact O-CD1 3.26Å; M691-L696 WeakPolarHBondContact O-CD1 3.38Å; D692-L696 PolarHBondContact O-N 3.38Å; D692-L696 VanDerWaalsContact O-N 3.08Å; L696-W702 HydrophobicContact CD2-CZ2 3.96Å; L696-W702 PolarHBondContact O-NE1 3.3Å; L696-W702 VanDerWaalsContact O-NE1 3.08Å |
| 697 | K | 61.1 | Low | 70.5 | Confident | 141 Ų | 141 | 72.6 Ų | 72.6 | 61% | 0.613 | 36% | 0.357 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -84.2 | -11.1 | 175.9 | -69.6 | -169.2 | 177.4 | -177.9 | 0 | 115.2 | Y693 R695 V699 | Y693-K697 HydrophobicContact CE1-CD 4.18Å; Y693-K697 WeakPolarHBondContact OH-CE 3.45Å; Y693-K697 PolarHBondContact OH-NZ 3.09Å; R695-K697 PolarHBondContact O-N 2.86Å; K697-V699 PolarHBondContact O-N 3.2Å |
| 698 | D | 69.4 | Low | 70.3 | Confident | 69 Ų | 69 | 71.8 Ų | 71.8 | 37% | 0.369 | 35% | 0.351 | S | S | . | . | trans | -86.2 | 99.6 | -174.1 | -170.9 | 0.1 | 0 | 0 | 0 | 110.3 | R695 N700 Y701 W702 | R695-D698 PolarHBondContact O-N 3.37Å; D698-N700 PolarHBondContact O-N 3.05Å; D698-N700 WeakPolarHBondContact OD1-CB 3.34Å; D698-N700 PolarHBondContact OD1-N 3.14Å; D698-Y701 WeakPolarHBondContact O-CB 3.39Å; D698-Y701 PolarHBondContact O-N 3.39Å; D698-Y701 VanDerWaalsContact O-N 3.08Å; D698-W702 VanDerWaalsContact O-CD1 3.28Å; D698-W702 PolarHBondContact O-N 2.88Å | ||
| 699 | V | 70.3 | Confident | 70.4 | Confident | 94 Ų | 94 | 68.3 Ų | 68.3 | 57% | 0.57 | 33% | 0.328 | S | S | * | . | H | α-helix | trans | -56.6 | -38.3 | 178 | -179 | 0 | 0 | 0 | 0 | 111 | K697 Y701 W702 T703 | K697-V699 PolarHBondContact O-N 3.2Å; V699-Y701 PolarHBondContact O-N 2.92Å; V699-W702 PolarHBondContact O-N 2.86Å; V699-T703 PolarHBondContact O-N 3.23Å; V699-T703 PolarHBondContact O-OG1 3.3Å; V699-T703 VanDerWaalsContact O-OG1 3.11Å |
| 700 | N | 67.5 | Low | 70.4 | Confident | 125 Ų | 125 | 65.4 Ų | 65.4 | 67% | 0.668 | 32% | 0.319 | S | S | * | . | H | α-helix | trans | -65.2 | -31.4 | -179.4 | -62.6 | -43.1 | 0 | 0 | 0 | 111.9 | D698 F704 | D698-N700 PolarHBondContact O-N 3.05Å; D698-N700 WeakPolarHBondContact OD1-CB 3.34Å; D698-N700 PolarHBondContact OD1-N 3.14Å; N700-F704 WeakPolarHBondContact O-CB 3.47Å; N700-F704 PolarHBondContact O-N 3.39Å |
| 701 | Y | 74.5 | Confident | 70 | Confident | 21 Ų | 21 | 65.8 Ų | 65.8 | 8% | 0.082 | 32% | 0.323 | C | S | . | . | H | α-helix | trans | -67.9 | -42.6 | 176.2 | -179 | -106.4 | 0 | 0 | 0 | 111.8 | W690 R695 D698 V699 F704 I705 | W690-Y701 HydrophobicContact CB-CE1 4.14Å; W690-Y701 WeakPolarHBondContact CB-OH 3.44Å; R695-Y701 HydrophobicContact CB-CD1 4.09Å; R695-Y701 HydrophobicContact CB-CE1 4.21Å; R695-Y701 HydrophobicContact CB-CG 4.49Å; D698-Y701 WeakPolarHBondContact O-CB 3.39Å; D698-Y701 PolarHBondContact O-N 3.39Å; D698-Y701 VanDerWaalsContact O-N 3.08Å; V699-Y701 PolarHBondContact O-N 2.92Å; Y701-F704 WeakPolarHBondContact O-CB 3.34Å; Y701-F704 PolarHBondContact O-N 3.39Å; Y701-I705 HydrophobicContact CD1-CD1 4.41Å; Y701-I705 HydrophobicContact CE1-CD1 3.65Å; Y701-I705 HydrophobicContact CE1-CG1 4.41Å; Y701-I705 HydrophobicContact CE2-CD1 4.25Å; Y701-I705 PolarHBondContact O-N 3.03Å |
| 702 | W | 74.6 | Confident | 69.9 | Low | 18 Ų | 18 | 60.2 Ų | 60.2 | 7% | 0.068 | 30% | 0.296 | C | S | . | . | H | α-helix | trans | -69.8 | -39.9 | 177 | -66.3 | 113.2 | 0 | 0 | 0 | 112.4 | W690 R695 L696 D698 V699 F704 I705 H706 Q894 M897 P898 L901 | W690-W702 HydrophobicContact CE3-CH2 4.04Å; W690-W702 HydrophobicContact CZ3-CH2 4.5Å; R695-W702 PolarHBondContact O-NE1 3.07Å; L696-W702 HydrophobicContact CD2-CZ2 3.96Å; L696-W702 PolarHBondContact O-NE1 3.3Å; L696-W702 VanDerWaalsContact O-NE1 3.08Å; D698-W702 VanDerWaalsContact O-CD1 3.28Å; D698-W702 PolarHBondContact O-N 2.88Å; V699-W702 PolarHBondContact O-N 2.86Å; W702-F704 VanDerWaalsContact C-N 3.28Å; W702-F704 PolarHBondContact O-N 2.96Å; W702-I705 PolarHBondContact O-N 3.43Å; W702-H706 VanDerWaalsContact O-CB 3.24Å; W702-H706 WeakPolarHBondContact O-CB 3.2Å; W702-H706 PolarHBondContact O-N 3.24Å; W702-Q894 HydrophobicContact CB-CG 4.45Å; W702-M897 HydrophobicContact CE3-CB 3.69Å; W702-M897 HydrophobicContact CZ3-CB 4.06Å; W702-P898 HydrophobicContact CD2-CG 4.06Å; W702-P898 HydrophobicContact CE3-CG 3.99Å; W702-P898 HydrophobicContact CH2-CB 3.69Å; W702-P898 HydrophobicContact CH2-CG 3.71Å; W702-P898 HydrophobicContact CZ2-CB 4.03Å; W702-P898 HydrophobicContact CZ2-CG 3.79Å; W702-P898 HydrophobicContact CZ3-CB 4.06Å; W702-P898 HydrophobicContact CZ3-CG 3.8Å; W702-L901 HydrophobicContact CH2-CD1 4.06Å; W702-L901 HydrophobicContact CZ3-CD1 3.63Å; W702-L901 HydrophobicContact CZ3-CG 4.47Å |
| 703 | T | 70.7 | Confident | 69.6 | Low | 52 Ų | 52 | 58.2 Ų | 58.2 | 32% | 0.319 | 29% | 0.286 | S | S | . | . | H | α-helix | trans | -61.4 | -39.5 | 171.3 | -57.1 | 0 | 0 | 0 | 0 | 111 | V699 A707 Q894 | V699-T703 PolarHBondContact O-N 3.23Å; V699-T703 PolarHBondContact O-OG1 3.3Å; V699-T703 VanDerWaalsContact O-OG1 3.11Å; T703-A707 WeakPolarHBondContact O-CB 3.43Å; T703-A707 PolarHBondContact O-N 3.06Å; T703-Q894 PolarHBondContact OG1-NE2 3.48Å; T703-Q894 PolarHBondContact OG1-OE1 2.95Å |
| 704 | F | 75 | Confident | 70.1 | Confident | 38 Ų | 38 | 53.5 Ų | 53.5 | 17% | 0.167 | 28% | 0.277 | C | S | . | . | H | α-helix | trans | -62.1 | -49.5 | 174.5 | 166.6 | -101.4 | 0 | 0 | 0 | 112.4 | L661 A662 M665 N700 Y701 W702 A707 I708 | L661-F704 HydrophobicContact CB-CD2 4.35Å; L661-F704 HydrophobicContact CB-CE2 4.37Å; L661-F704 HydrophobicContact CD2-CD2 3.91Å; L661-F704 HydrophobicContact CD2-CE2 3.35Å; L661-F704 HydrophobicContact CD2-CZ 3.69Å; L661-F704 HydrophobicContact CG-CD2 3.93Å; L661-F704 HydrophobicContact CG-CE2 3.47Å; L661-F704 VanDerWaalsContact CG-CE2 3.47Å; L661-F704 HydrophobicContact CG-CZ 4.28Å; A662-F704 HydrophobicContact CB-CB 4.11Å; A662-F704 HydrophobicContact CB-CD2 4.12Å; M665-F704 HydrophobicContact SD-CE2 4.23Å; N700-F704 WeakPolarHBondContact O-CB 3.47Å; N700-F704 PolarHBondContact O-N 3.39Å; Y701-F704 WeakPolarHBondContact O-CB 3.34Å; Y701-F704 PolarHBondContact O-N 3.39Å; W702-F704 VanDerWaalsContact C-N 3.28Å; W702-F704 PolarHBondContact O-N 2.96Å; F704-A707 PolarHBondContact O-N 2.92Å; F704-I708 HydrophobicContact CD1-CD1 4Å; F704-I708 HydrophobicContact CD2-CD1 3.83Å; F704-I708 HydrophobicContact CD2-CG1 4.37Å; F704-I708 HydrophobicContact CE1-CD1 3.49Å; F704-I708 VanDerWaalsContact CE1-CD1 3.49Å; F704-I708 HydrophobicContact CE2-CD1 3.27Å; F704-I708 HydrophobicContact CE2-CG1 4.13Å; F704-I708 HydrophobicContact CG-CD1 4.18Å; F704-I708 HydrophobicContact CZ-CD1 3.11Å; F704-I708 HydrophobicContact CZ-CG1 4.37Å; F704-I708 VanDerWaalsContact O-CG1 3.23Å; F704-I708 WeakPolarHBondContact O-CG1 3.03Å; F704-I708 PolarHBondContact O-N 3.37Å |
| 705 | I | 78 | Confident | 70.6 | Confident | 7 Ų | 7 | 48.6 Ų | 48.6 | 4% | 0.036 | 26% | 0.259 | C | S | . | . | H | α-helix | trans | -62.9 | -47.6 | 177.5 | -71 | -165.1 | 0 | 0 | 0 | 110.7 | P687 Y701 W702 A707 I708 F709 M897 L901 | P687-I705 HydrophobicContact CG-CD1 4.43Å; Y701-I705 HydrophobicContact CD1-CD1 4.41Å; Y701-I705 HydrophobicContact CE1-CD1 3.65Å; Y701-I705 HydrophobicContact CE1-CG1 4.41Å; Y701-I705 HydrophobicContact CE2-CD1 4.25Å; Y701-I705 PolarHBondContact O-N 3.03Å; W702-I705 PolarHBondContact O-N 3.43Å; I705-A707 VanDerWaalsContact C-N 3.34Å; I705-A707 PolarHBondContact O-N 3.3Å; I705-I708 PolarHBondContact O-N 3.22Å; I705-F709 HydrophobicContact CG2-CD2 3.79Å; I705-F709 HydrophobicContact CG2-CE2 3.81Å; I705-F709 VanDerWaalsContact O-CD2 3.24Å; I705-F709 WeakPolarHBondContact O-CD2 3.41Å; I705-F709 PolarHBondContact O-N 3.47Å; I705-M897 HydrophobicContact CG2-SD 4.23Å; I705-L901 HydrophobicContact CD1-CD1 3.9Å |
| 706 | H | 78 | Confident | 71.6 | Confident | 37 Ų | 37 | 46.6 Ų | 46.6 | 17% | 0.171 | 25% | 0.253 | C | S | . | . | H | α-helix | trans | -56.5 | -49 | 178 | -175.8 | -99.5 | 0 | 0 | 0 | 111.7 | W702 I708 F709 C710 K892 Q894 M897 | W702-H706 VanDerWaalsContact O-CB 3.24Å; W702-H706 WeakPolarHBondContact O-CB 3.2Å; W702-H706 PolarHBondContact O-N 3.24Å; H706-I708 VanDerWaalsContact C-N 3.34Å; H706-I708 PolarHBondContact O-N 3.48Å; H706-F709 PolarHBondContact O-N 3.1Å; H706-C710 VanDerWaalsContact CE1-SG 3.52Å; H706-C710 VanDerWaalsContact O-CB 3.31Å; H706-C710 WeakPolarHBondContact O-CB 3.31Å; H706-C710 PolarHBondContact O-N 2.92Å; H706-C710 PolarHBondContact O-SG 3.22Å; H706-C710 VanDerWaalsContact O-SG 3.33Å; H706-K892 PolarHBondContact NE2-O 3.45Å; H706-Q894 HydrophobicContact CB-CG 4.37Å; H706-M897 HydrophobicContact CB-CG 3.91Å; H706-M897 HydrophobicContact CB-SD 3.99Å |
| 707 | A | 71.7 | Confident | 72.9 | Confident | 19 Ų | 19 | 42.9 Ų | 42.9 | 16% | 0.157 | 23% | 0.233 | C | C | . | . | H | α-helix | trans | -60.8 | -41.1 | 179.4 | 0 | 0 | 0 | 0 | 0 | 112.4 | A662 T703 F704 I705 T711 | A662-A707 HydrophobicContact CB-CB 4.29Å; T703-A707 WeakPolarHBondContact O-CB 3.43Å; T703-A707 PolarHBondContact O-N 3.06Å; F704-A707 PolarHBondContact O-N 2.92Å; I705-A707 VanDerWaalsContact C-N 3.34Å; I705-A707 PolarHBondContact O-N 3.3Å; A707-T711 VanDerWaalsContact O-CB 3.29Å; A707-T711 WeakPolarHBondContact O-CB 3.37Å; A707-T711 VanDerWaalsContact O-CG2 3.28Å; A707-T711 WeakPolarHBondContact O-CG2 3.46Å; A707-T711 PolarHBondContact O-N 2.98Å; A707-T711 PolarHBondContact O-OG1 2.93Å |
| 708 | I | 74.5 | Confident | 74.2 | Confident | 11 Ų | 11 | 36.2 Ų | 36.2 | 6% | 0.056 | 20% | 0.204 | C | C | . | . | H | α-helix | trans | -62.8 | -50.8 | 176.7 | -73.2 | 177 | 0 | 0 | 0 | 111.7 | M665 L684 F704 I705 H706 T711 A712 | M665-I708 HydrophobicContact CE-CB 4.07Å; M665-I708 HydrophobicContact CE-CD1 3.49Å; M665-I708 VanDerWaalsContact CE-CD1 3.49Å; M665-I708 HydrophobicContact CE-CG1 3.39Å; M665-I708 HydrophobicContact CE-CG2 3.65Å; M665-I708 HydrophobicContact CG-CG1 4.38Å; M665-I708 HydrophobicContact SD-CD1 3.43Å; M665-I708 WeakPolarHBondContact SD-CD1 3.42Å; M665-I708 HydrophobicContact SD-CG1 3.59Å; M665-I708 VanDerWaalsContact SD-CG1 3.59Å; L684-I708 HydrophobicContact CD1-CG2 3.41Å; L684-I708 VanDerWaalsContact CD1-CG2 3.41Å; F704-I708 HydrophobicContact CD1-CD1 4Å; F704-I708 HydrophobicContact CD2-CD1 3.83Å; F704-I708 HydrophobicContact CD2-CG1 4.37Å; F704-I708 HydrophobicContact CE1-CD1 3.49Å; F704-I708 VanDerWaalsContact CE1-CD1 3.49Å; F704-I708 HydrophobicContact CE2-CD1 3.27Å; F704-I708 HydrophobicContact CE2-CG1 4.13Å; F704-I708 HydrophobicContact CG-CD1 4.18Å; F704-I708 HydrophobicContact CZ-CD1 3.11Å; F704-I708 HydrophobicContact CZ-CG1 4.37Å; F704-I708 VanDerWaalsContact O-CG1 3.23Å; F704-I708 WeakPolarHBondContact O-CG1 3.03Å; F704-I708 PolarHBondContact O-N 3.37Å; I705-I708 PolarHBondContact O-N 3.22Å; H706-I708 VanDerWaalsContact C-N 3.34Å; H706-I708 PolarHBondContact O-N 3.48Å; I708-T711 PolarHBondContact O-N 3.07Å; I708-T711 PolarHBondContact O-OG1 3.11Å; I708-A712 VanDerWaalsContact O-CB 3.24Å; I708-A712 WeakPolarHBondContact O-CB 3.34Å; I708-A712 PolarHBondContact O-N 3.27Å |
| 709 | F | 76.8 | Confident | 75.3 | Confident | 10 Ų | 10 | 33 Ų | 33 | 4% | 0.044 | 19% | 0.187 | C | C | . | . | H | α-helix | trans | -65.8 | -48 | -176.3 | -83.2 | -107 | 0 | 0 | 0 | 109.4 | W686 I705 H706 T711 A712 T713 L718 L720 L887 Y900 | W686-F709 HydrophobicContact CZ3-CZ 4.46Å; I705-F709 HydrophobicContact CG2-CD2 3.79Å; I705-F709 HydrophobicContact CG2-CE2 3.81Å; I705-F709 VanDerWaalsContact O-CD2 3.24Å; I705-F709 WeakPolarHBondContact O-CD2 3.41Å; I705-F709 PolarHBondContact O-N 3.47Å; H706-F709 PolarHBondContact O-N 3.1Å; F709-T711 PolarHBondContact O-N 3.42Å; F709-A712 PolarHBondContact O-N 2.88Å; F709-T713 WeakPolarHBondContact O-CB 3.41Å; F709-T713 VanDerWaalsContact O-CG2 3.26Å; F709-T713 WeakPolarHBondContact O-CG2 3.48Å; F709-T713 PolarHBondContact O-N 3.04Å; F709-T713 PolarHBondContact O-OG1 2.91Å; F709-L718 HydrophobicContact CD1-CD2 4.1Å; F709-L718 HydrophobicContact CE1-CD2 4.26Å; F709-L720 HydrophobicContact CE1-CD1 3.8Å; F709-L720 HydrophobicContact CZ-CD1 3.68Å; F709-L887 HydrophobicContact CD1-CD2 4.21Å; F709-L887 HydrophobicContact CE1-CD2 3.89Å; F709-Y900 HydrophobicContact CD1-CE1 4.06Å; F709-Y900 AromaticContact CE1-CE1 3.88Å; F709-Y900 HydrophobicContact CE1-CE1 3.88Å |
| 710 | C | 71.4 | Confident | 76.2 | Confident | 41 Ų | 41 | 28.7 Ų | 28.7 | 28% | 0.277 | 16% | 0.161 | S | C | . | . | H | α-helix | trans | -60.7 | -42.6 | 177.8 | -69.5 | 0 | 0 | 0 | 0 | 113 | H706 T713 S714 | H706-C710 VanDerWaalsContact CE1-SG 3.52Å; H706-C710 VanDerWaalsContact O-CB 3.31Å; H706-C710 WeakPolarHBondContact O-CB 3.31Å; H706-C710 PolarHBondContact O-N 2.92Å; H706-C710 PolarHBondContact O-SG 3.22Å; H706-C710 VanDerWaalsContact O-SG 3.33Å; C710-T713 PolarHBondContact O-OG1 3.49Å; C710-S714 WeakPolarHBondContact O-CB 3.38Å; C710-S714 PolarHBondContact O-N 3.45Å; C710-S714 VanDerWaalsContact O-N 3.12Å |
| 711 | T | 67.9 | Low | 77.2 | Confident | 22 Ų | 22 | 22.8 Ų | 22.8 | 14% | 0.135 | 13% | 0.129 | C | C | . | . | H | α-helix | trans | -69.5 | -43.3 | 179.4 | 50 | 0 | 0 | 0 | 0 | 112.4 | C666 A707 I708 F709 S714 | C666-T711 HydrophobicContact CB-CG2 3.76Å; C666-T711 WeakPolarHBondContact SG-CG2 3.35Å; A707-T711 VanDerWaalsContact O-CB 3.29Å; A707-T711 WeakPolarHBondContact O-CB 3.37Å; A707-T711 VanDerWaalsContact O-CG2 3.28Å; A707-T711 WeakPolarHBondContact O-CG2 3.46Å; A707-T711 PolarHBondContact O-N 2.98Å; A707-T711 PolarHBondContact O-OG1 2.93Å; I708-T711 PolarHBondContact O-N 3.07Å; I708-T711 PolarHBondContact O-OG1 3.11Å; F709-T711 PolarHBondContact O-N 3.42Å; T711-S714 PolarHBondContact O-N 3.35Å; T711-S714 PolarHBondContact O-OG 3.35Å |
| 712 | A | 68.2 | Low | 77.9 | Confident | 2 Ų | 2 | 23.1 Ų | 23.1 | 2% | 0.017 | 13% | 0.132 | C | C | . | . | H | α-helix | trans | -61.3 | -48.2 | 176 | 0 | 0 | 0 | 0 | 0 | 110.7 | I708 F709 S714 M716 L718 | I708-A712 VanDerWaalsContact O-CB 3.24Å; I708-A712 WeakPolarHBondContact O-CB 3.34Å; I708-A712 PolarHBondContact O-N 3.27Å; F709-A712 PolarHBondContact O-N 2.88Å; A712-S714 VanDerWaalsContact C-N 3.27Å; A712-S714 PolarHBondContact O-N 3.29Å; A712-M716 CarbonylContact O-C 3.55Å; A712-M716 WeakPolarHBondContact O-CA 3.3Å; A712-M716 WeakPolarHBondContact O-CB 3.42Å; A712-M716 PolarHBondContact O-N 2.9Å; A712-L718 HydrophobicContact CB-CB 4.06Å; A712-L718 HydrophobicContact CB-CD1 3.85Å; A712-L718 HydrophobicContact CB-CD2 4.11Å; A712-L718 HydrophobicContact CB-CG 4.22Å |
| 713 | T | 67 | Low | 78.3 | Confident | 31 Ų | 31 | 24.1 Ų | 24.1 | 19% | 0.19 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -71.1 | -18.8 | -176.2 | 57.6 | 0 | 0 | 0 | 0 | 114.4 | F709 C710 R918 | F709-T713 WeakPolarHBondContact O-CB 3.41Å; F709-T713 VanDerWaalsContact O-CG2 3.26Å; F709-T713 WeakPolarHBondContact O-CG2 3.48Å; F709-T713 PolarHBondContact O-N 3.04Å; F709-T713 PolarHBondContact O-OG1 2.91Å; C710-T713 PolarHBondContact O-OG1 3.49Å; T713-R918 HydrophobicContact CG2-CG 4.27Å |
| 714 | S | 68.4 | Low | 78.8 | Confident | 62 Ų | 62 | 29.8 Ų | 29.8 | 43% | 0.434 | 17% | 0.17 | S | C | . | . | H | α-helix | trans | -66.8 | -38.8 | -176.1 | 67.8 | 0 | 0 | 0 | 0 | 113.7 | C710 T711 A712 | C710-S714 WeakPolarHBondContact O-CB 3.38Å; C710-S714 PolarHBondContact O-N 3.45Å; C710-S714 VanDerWaalsContact O-N 3.12Å; T711-S714 PolarHBondContact O-N 3.35Å; T711-S714 PolarHBondContact O-OG 3.35Å; A712-S714 VanDerWaalsContact C-N 3.27Å; A712-S714 PolarHBondContact O-N 3.29Å |
| 715 | N | 74.4 | Confident | 79.2 | Confident | 82 Ų | 82 | 29 Ų | 29 | 44% | 0.439 | 17% | 0.167 | S | C | . | . | H | α-helix | trans | -150.1 | -4.4 | -171.9 | -85.2 | -46.5 | 0 | 0 | 0 | 114.2 | K922 | N715-K922 PolarHBondContact OD1-NZ 3.43Å |
| 716 | M | 83.5 | Confident | 79.6 | Confident | 18 Ų | 18 | 29.7 Ų | 29.7 | 9% | 0.089 | 17% | 0.171 | C | C | . | . | S | Bend | trans | -123.9 | 155 | -172.3 | -57.4 | -78.8 | -88.2 | 0 | 0 | 110.1 | T669 P679 N680 V682 A712 | T669-M716 HydrophobicContact CG2-CE 4.42Å; T669-M716 HydrophobicContact CG2-CG 4.23Å; P679-M716 VanDerWaalsContact C-CE 3.5Å; P679-M716 HydrophobicContact CB-CE 4.06Å; P679-M716 HydrophobicContact CG-CE 4.09Å; P679-M716 WeakPolarHBondContact O-CE 3.26Å; N680-M716 WeakPolarHBondContact CA-SD 3.28Å; N680-M716 WeakPolarHBondContact O-CA 3.16Å; V682-M716 HydrophobicContact CG2-CB 4.22Å; V682-M716 HydrophobicContact CG2-CE 4.05Å; V682-M716 HydrophobicContact CG2-CG 4.49Å; A712-M716 CarbonylContact O-C 3.55Å; A712-M716 WeakPolarHBondContact O-CA 3.3Å; A712-M716 WeakPolarHBondContact O-CB 3.42Å; A712-M716 PolarHBondContact O-N 2.9Å |
| 717 | C | 87.7 | Confident | 79.7 | Confident | 0 Ų | 0 | 30.7 Ų | 30.7 | 0% | 0 | 18% | 0.18 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.1 | 140 | 165.8 | 170.8 | 0 | 0 | 0 | 0 | 109.2 | W578 N680 T681 V682 L747 R918 | W578-C717 HydrophobicContact CH2-CB 4.26Å; W578-C717 HydrophobicContact CZ2-CB 4.08Å; N680-C717 PolarHBondContact O-N 3Å; T681-C717 CarbonylContact C-O 3.57Å; T681-C717 VanDerWaalsContact CA-O 3.26Å; T681-C717 WeakPolarHBondContact CA-O 3.12Å; T681-C717 HydrophobicContact CG2-CB 3.9Å; V682-C717 PolarHBondContact N-O 2.88Å; C717-L747 WeakPolarHBondContact SG-CD2 3.43Å; C717-R918 CarbonylContact C-O 3.56Å; C717-R918 VanDerWaalsContact CA-O 3.26Å; C717-R918 WeakPolarHBondContact CA-O 3.45Å; C717-R918 PolarHBondContact SG-O 3.02Å |
| 718 | L | 89.3 | Confident | 80.1 | Confident | 1 Ų | 1 | 31.4 Ų | 31.4 | 1% | 0.005 | 18% | 0.181 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -111.3 | 129 | 174.1 | -178.7 | 60 | 0 | 0 | 0 | 110.3 | V682 L684 F709 A712 L720 L887 A917 R918 | V682-L718 HydrophobicContact CB-CD1 4.34Å; V682-L718 HydrophobicContact CG1-CD1 4.31Å; L684-L718 HydrophobicContact CD1-CD1 3.84Å; F709-L718 HydrophobicContact CD1-CD2 4.1Å; F709-L718 HydrophobicContact CE1-CD2 4.26Å; A712-L718 HydrophobicContact CB-CB 4.06Å; A712-L718 HydrophobicContact CB-CD1 3.85Å; A712-L718 HydrophobicContact CB-CD2 4.11Å; A712-L718 HydrophobicContact CB-CG 4.22Å; L718-L720 HydrophobicContact CD1-CD2 3.87Å; L718-L720 HydrophobicContact CD1-CG 4.33Å; L718-L720 HydrophobicContact CD2-CD1 4.2Å; L718-L720 HydrophobicContact CD2-CD2 4.41Å; L718-L720 HydrophobicContact CD2-CG 4.29Å; L718-L720 HydrophobicContact CG-CD1 4.5Å; L718-L720 HydrophobicContact CG-CD2 4.16Å; L718-L720 HydrophobicContact CG-CG 4.07Å; L718-L887 HydrophobicContact CD2-CD2 3.8Å; L718-A917 CarbonylContact O-C 3.53Å; L718-A917 WeakPolarHBondContact O-CA 3.5Å; L718-R918 HydrophobicContact CB-CB 4.27Å; L718-R918 PolarHBondContact N-O 3.24Å; L718-R918 PolarHBondContact O-N 2.82Å |
| 719 | L | 91.2 | Very high | 80.2 | Confident | 1 Ų | 1 | 40 Ų | 40 | 1% | 0.005 | 22% | 0.218 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -120.8 | 120.2 | 174 | -61.5 | 179.9 | 0 | 0 | 0 | 110.2 | L582 L607 T681 V682 M683 L684 L751 L915 L916 A917 | L582-L719 HydrophobicContact CD2-CD1 4.17Å; L607-L719 HydrophobicContact CD1-CD1 4.17Å; T681-L719 HydrophobicContact CG2-CD1 3.62Å; T681-L719 HydrophobicContact CG2-CG 3.73Å; V682-L719 PolarHBondContact O-N 3.1Å; M683-L719 WeakPolarHBondContact CA-O 3.48Å; M683-L719 HydrophobicContact CB-CB 4.46Å; M683-L719 HydrophobicContact CE-CB 4.03Å; M683-L719 HydrophobicContact CE-CD1 3.72Å; M683-L719 HydrophobicContact CG-CB 4.44Å; L684-L719 PolarHBondContact N-O 2.95Å; L684-L719 VanDerWaalsContact N-O 3.09Å; L719-L751 HydrophobicContact CD1-CD2 4.16Å; L719-L751 HydrophobicContact CD2-CD1 3.8Å; L719-L751 HydrophobicContact CD2-CD2 4.29Å; L719-L915 HydrophobicContact CB-CD1 4.33Å; L719-L916 CarbonylContact C-O 3.41Å; L719-L916 WeakPolarHBondContact CA-O 3.35Å; L719-A917 HydrophobicContact CD2-CB 3.71Å |
| 720 | L | 89.5 | Confident | 80.5 | Confident | 4 Ų | 4 | 43.1 Ų | 43.1 | 2% | 0.021 | 24% | 0.235 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -118.1 | 99 | 177.6 | -51.7 | 171.3 | 0 | 0 | 0 | 110.6 | L684 W686 F709 L718 L887 L916 | L684-L720 HydrophobicContact CB-CD2 3.6Å; L684-L720 WeakPolarHBondContact O-CA 3.39Å; L684-L720 VanDerWaalsContact O-CD2 3.24Å; L684-L720 WeakPolarHBondContact O-CD2 3.29Å; W686-L720 HydrophobicContact CE3-CB 4.46Å; W686-L720 HydrophobicContact CE3-CD1 4.02Å; W686-L720 HydrophobicContact CZ3-CD1 4.01Å; F709-L720 HydrophobicContact CE1-CD1 3.8Å; F709-L720 HydrophobicContact CZ-CD1 3.68Å; L718-L720 HydrophobicContact CD1-CD2 3.87Å; L718-L720 HydrophobicContact CD1-CG 4.33Å; L718-L720 HydrophobicContact CD2-CD1 4.2Å; L718-L720 HydrophobicContact CD2-CD2 4.41Å; L718-L720 HydrophobicContact CD2-CG 4.29Å; L718-L720 HydrophobicContact CG-CD1 4.5Å; L718-L720 HydrophobicContact CG-CD2 4.16Å; L718-L720 HydrophobicContact CG-CG 4.07Å; L720-L887 HydrophobicContact CD1-CD1 4.16Å; L720-L887 HydrophobicContact CD1-CD2 4.05Å; L720-L916 HydrophobicContact CB-CB 4.11Å; L720-L916 HydrophobicContact CB-CD1 4.39Å; L720-L916 PolarHBondContact N-O 3.35Å; L720-L916 PolarHBondContact O-N 3.39Å |
| 721 | P | 90.2 | Very high | 81.1 | Confident | 1 Ų | 1 | 46.3 Ų | 46.3 | 1% | 0.006 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -68.6 | 127.5 | 167 | 25.5 | -34.3 | 0 | 0 | 0 | 111.5 | S600 L603 L684 W686 F725 | S600-P721 WeakPolarHBondContact OG-CG 3.26Å; L603-P721 HydrophobicContact CD2-CB 3.88Å; L603-P721 HydrophobicContact CD2-CG 4.23Å; L684-P721 WeakPolarHBondContact O-CD 3.45Å; W686-P721 PolarHBondContact N-O 3.23Å; P721-F725 HydrophobicContact CB-CD2 4.14Å; P721-F725 HydrophobicContact CB-CE2 3.42Å; P721-F725 VanDerWaalsContact CB-CE2 3.42Å; P721-F725 HydrophobicContact CB-CZ 3.83Å |
| 722 | K | 88.1 | Confident | 82 | Confident | 29 Ų | 29 | 46.2 Ų | 46.2 | 13% | 0.126 | 25% | 0.253 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -125.1 | 135.4 | 172.9 | -179.8 | 177.8 | 176.2 | 174.6 | 0 | 109.4 | W686 E905 T908 V914 | W686-K722 HydrophobicContact CB-CB 3.86Å; W686-K722 HydrophobicContact CB-CG 4.14Å; W686-K722 HydrophobicContact CD2-CD 4.24Å; W686-K722 HydrophobicContact CG-CB 4.07Å; W686-K722 HydrophobicContact CG-CD 3.95Å; W686-K722 HydrophobicContact CG-CG 3.95Å; K722-E905 IonicContact NZ-OE1 3.83Å; K722-E905 PolarHBondContact NZ-OE1 2.88Å; K722-E905 IonicContact NZ-OE2 3.62Å; K722-E905 PolarHBondContact NZ-OE2 2.85Å; K722-T908 PolarHBondContact NZ-OG1 3.46Å; K722-V914 HydrophobicContact CB-CB 4.32Å; K722-V914 PolarHBondContact N-O 3.48Å; K722-V914 PolarHBondContact O-N 3.14Å; K722-V914 VanDerWaalsContact O-O 3.09Å |
| 723 | G | 82.7 | Confident | 83 | Confident | 38 Ų | 38 | 50.7 Ų | 50.7 | 39% | 0.392 | 28% | 0.28 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 95.6 | -169 | -177.9 | 0 | 0 | 0 | 0 | 0 | 114.2 | P912 | G723-P912 WeakPolarHBondContact CA-O 3.41Å |
| 724 | E | 80.8 | Confident | 84.1 | Confident | 172 Ų | 172 | 50.4 Ų | 50.4 | 80% | 0.804 | 28% | 0.283 | S | S | * | . | trans | -97.5 | 105.2 | -172.3 | -65.8 | -174.7 | 169.9 | 0 | 0 | 111.6 | T913 | E724-T913 WeakPolarHBondContact O-CG2 3.26Š| ||
| 725 | F | 85 | Confident | 85.2 | Confident | 22 Ų | 22 | 51 Ų | 51 | 10% | 0.096 | 28% | 0.276 | C | S | . | . | P | Polyproline II helix | trans | -82.4 | 148 | 177.6 | -79.1 | -99.9 | 0 | 0 | 0 | 111.6 | T599 L603 P721 L882 | T599-F725 HydrophobicContact CG2-CB 4.44Å; T599-F725 HydrophobicContact CG2-CD2 4.35Å; L603-F725 HydrophobicContact CD1-CD1 3.97Å; L603-F725 HydrophobicContact CD1-CE1 3.76Å; L603-F725 HydrophobicContact CD2-CE1 3.99Å; L603-F725 HydrophobicContact CD2-CZ 4.12Å; L603-F725 HydrophobicContact CG-CE1 4.4Å; P721-F725 HydrophobicContact CB-CD2 4.14Å; P721-F725 HydrophobicContact CB-CE2 3.42Å; P721-F725 VanDerWaalsContact CB-CE2 3.42Å; P721-F725 HydrophobicContact CB-CZ 3.83Å; F725-L882 HydrophobicContact CE1-CD1 3.72Å; F725-L882 HydrophobicContact CZ-CD1 3.88Å |
| 726 | P | 84.9 | Confident | 86.1 | Confident | 20 Ų | 20 | 47.1 Ų | 47.1 | 13% | 0.13 | 26% | 0.256 | C | S | . | . | P | Polyproline II helix | trans | -61.1 | 152.8 | 173.8 | 26.1 | -34 | 0 | 0 | 0 | 111.2 | V602 M606 D730 V732 V760 W761 | V602-P726 WeakPolarHBondContact CG1-O 3.36Å; M606-P726 HydrophobicContact CE-CG 4.17Å; M606-P726 WeakPolarHBondContact CE-O 3.39Å; P726-D730 HydrophobicContact CB-CB 4.09Å; P726-V732 HydrophobicContact CB-CG2 3.81Å; P726-V732 HydrophobicContact CG-CG2 3.96Å; P726-V760 HydrophobicContact CB-CG1 4.02Å; P726-V760 HydrophobicContact CG-CG1 3.72Å; P726-W761 HydrophobicContact CG-CH2 4.25Å; P726-W761 HydrophobicContact CG-CZ2 3.56Å |
| 727 | T | 81.6 | Confident | 86.6 | Confident | 58 Ų | 58 | 46.2 Ų | 46.2 | 36% | 0.356 | 25% | 0.251 | S | S | . | . | P | Polyproline II helix | trans | -76 | 163.3 | 172.3 | 72 | 0 | 0 | 0 | 0 | 110.6 | K729 D730 | T727-K729 PolarHBondContact O-N 3.16Å; T727-K729 VanDerWaalsContact O-N 3.07Å; T727-D730 WeakPolarHBondContact CA-OD2 3.44Å; T727-D730 WeakPolarHBondContact CB-OD2 3.16Å; T727-D730 PolarHBondContact N-OD2 3.3Å; T727-D730 PolarHBondContact O-N 3.28Å; T727-D730 VanDerWaalsContact O-N 3.12Å; T727-D730 PolarHBondContact OG1-OD1 3.1Å; T727-D730 PolarHBondContact OG1-OD2 3.03Å |
| 728 | L | 78.7 | Confident | 86.9 | Confident | 34 Ų | 34 | 46.3 Ų | 46.3 | 18% | 0.178 | 25% | 0.252 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -63.2 | -14.5 | 179.9 | -68.2 | 172.8 | 0 | 0 | 0 | 114.2 | V602 M606 L647 I649 | V602-L728 HydrophobicContact CG1-CD2 4.23Å; V602-L728 HydrophobicContact CG1-CG 4.06Å; M606-L728 HydrophobicContact CE-CD2 4Å; M606-L728 HydrophobicContact CG-CD2 3.61Å; L647-L728 HydrophobicContact CB-CD1 3.87Å; L647-L728 HydrophobicContact CD2-CD1 3.99Å; L647-L728 HydrophobicContact CG-CD1 4.45Å; L647-L728 VanDerWaalsContact O-CD1 3.3Å; L647-L728 WeakPolarHBondContact O-CD1 3.29Å; I649-L728 HydrophobicContact CD1-CD1 4.35Å; I649-L728 HydrophobicContact CG1-CD1 4.38Å |
| 729 | K | 77.5 | Confident | 87 | Confident | 193 Ų | 193 | 46.3 Ų | 46.3 | 84% | 0.839 | 25% | 0.252 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -92 | -18 | 178.9 | -65.9 | -177.2 | 179.2 | 179.8 | 0 | 113 | T727 | T727-K729 PolarHBondContact O-N 3.16Å; T727-K729 VanDerWaalsContact O-N 3.07Å |
| 730 | D | 83.3 | Confident | 86.7 | Confident | 74 Ų | 74 | 48.7 Ų | 48.7 | 40% | 0.396 | 26% | 0.261 | S | S | . | . | trans | -76.1 | 152.1 | -175.4 | -59.1 | -35 | 0 | 0 | 0 | 110.5 | P726 T727 V760 | P726-D730 HydrophobicContact CB-CB 4.09Å; T727-D730 WeakPolarHBondContact CA-OD2 3.44Å; T727-D730 WeakPolarHBondContact CB-OD2 3.16Å; T727-D730 PolarHBondContact N-OD2 3.3Å; T727-D730 PolarHBondContact O-N 3.28Å; T727-D730 VanDerWaalsContact O-N 3.12Å; T727-D730 PolarHBondContact OG1-OD1 3.1Å; T727-D730 PolarHBondContact OG1-OD2 3.03Å; D730-V760 WeakPolarHBondContact O-CA 3.32Å; D730-V760 VanDerWaalsContact O-CG2 3.28Å; D730-V760 WeakPolarHBondContact O-CG2 3.35Å | ||
| 731 | T | 84 | Confident | 86.2 | Confident | 108 Ų | 108 | 48.7 Ų | 48.7 | 66% | 0.663 | 26% | 0.26 | S | S | * | . | trans | -117.2 | 126.1 | 168.6 | 53.4 | 0 | 0 | 0 | 0 | 107.8 | ||||
| 732 | V | 86.8 | Confident | 85.1 | Confident | 21 Ų | 21 | 50.3 Ų | 50.3 | 13% | 0.127 | 27% | 0.274 | C | S | . | . | trans | -111 | 131.8 | -175.3 | -176.6 | 0 | 0 | 0 | 0 | 109.1 | P726 V760 W761 C764 K881 | P726-V732 HydrophobicContact CB-CG2 3.81Å; P726-V732 HydrophobicContact CG-CG2 3.96Å; V732-V760 HydrophobicContact CG2-CG1 4.01Å; V732-V760 PolarHBondContact N-O 3.18Å; V732-W761 HydrophobicContact CG1-CE3 4.5Å; V732-W761 HydrophobicContact CG1-CZ3 4.16Å; V732-C764 PolarHBondContact O-SG 2.66Å; V732-K881 HydrophobicContact CG1-CB 3.85Å; V732-K881 HydrophobicContact CG1-CD 4.11Å; V732-K881 HydrophobicContact CG1-CG 3.68Å | ||
| 733 | T | 89.2 | Confident | 84.3 | Confident | 95 Ų | 95 | 49.9 Ų | 49.9 | 58% | 0.583 | 27% | 0.272 | S | S | * | . | trans | -113.3 | 143.2 | 168.3 | 57.6 | 0 | 0 | 0 | 0 | 108.8 | N763 | T733-N763 HydrophobicContact CG2-CB 3.97Š| ||
| 734 | G | 89.4 | Confident | 83.9 | Confident | 25 Ų | 25 | 48.6 Ų | 48.6 | 26% | 0.258 | 26% | 0.257 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | 143.8 | -154.9 | -178.2 | 0 | 0 | 0 | 0 | 0 | 112.7 | C764 Q765 | G734-C764 CarbonylContact O-C 2.94Å; G734-C764 VanDerWaalsContact O-CA 3.25Å; G734-C764 WeakPolarHBondContact O-CA 3.22Å; G734-Q765 PolarHBondContact O-N 3.14Å |
| 735 | Y | 92.4 | Very high | 83.6 | Confident | 75 Ų | 75 | 40.9 Ų | 40.9 | 29% | 0.294 | 22% | 0.223 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.5 | 138.4 | -176.8 | -58.4 | -73.6 | 0 | 0 | 0 | 112 | D737 Q765 R767 K881 | Y735-D737 WeakPolarHBondContact CB-OD1 3.38Å; Y735-Q765 CarbonylContact C-O 3.58Å; Y735-Q765 VanDerWaalsContact CA-O 3.3Å; Y735-Q765 WeakPolarHBondContact CA-O 3.18Å; Y735-Q765 HydrophobicContact CD1-CB 3.85Å; Y735-Q765 HydrophobicContact CE1-CB 4Å; Y735-R767 HydrophobicContact CD1-CG 3.95Å; Y735-K881 PolarHBondContact O-N 3.01Å |
| 736 | I | 93.5 | Very high | 83.3 | Confident | 0 Ų | 0 | 40.7 Ų | 40.7 | 0% | 0 | 23% | 0.228 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -101.3 | 113 | 162.5 | -60.3 | 167.4 | 0 | 0 | 0 | 106.5 | P752 R756 W761 C764 Q765 T766 R767 L882 I884 | I736-P752 HydrophobicContact CG2-CB 4.04Å; I736-P752 HydrophobicContact CG2-CG 4.25Å; I736-R756 HydrophobicContact CD1-CG 4.07Å; I736-W761 HydrophobicContact CD1-CB 4.34Å; I736-W761 HydrophobicContact CD1-CD2 4.38Å; I736-W761 HydrophobicContact CD1-CE3 3.86Å; I736-W761 HydrophobicContact CG1-CE3 3.88Å; I736-W761 HydrophobicContact CG1-CZ3 4.18Å; I736-C764 HydrophobicContact CD1-CB 3.89Å; I736-C764 HydrophobicContact CG1-CB 3.93Å; I736-Q765 PolarHBondContact N-O 3.15Å; I736-T766 HydrophobicContact CB-CG2 4.03Å; I736-T766 HydrophobicContact CD1-CG2 4.45Å; I736-T766 HydrophobicContact CG2-CG2 4.39Å; I736-T766 WeakPolarHBondContact O-CA 3.23Å; I736-R767 PolarHBondContact O-N 2.87Å; I736-L882 HydrophobicContact CG1-CB 4.46Å; I736-L882 HydrophobicContact CG2-CB 4.45Å; I736-L882 HydrophobicContact CG2-CD2 4.23Å; I736-I884 HydrophobicContact CG2-CD1 4.2Å; I736-I884 HydrophobicContact CG2-CG1 4.43Å |
| 737 | D | 93.9 | Very high | 83.3 | Confident | 0 Ų | 0 | 40 Ų | 40 | 0% | 0 | 22% | 0.223 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -100.5 | 121.4 | -176.6 | -73.9 | 0.8 | 0 | 0 | 0 | 109.8 | Y735 R767 F769 S877 S880 L882 V883 I884 | Y735-D737 WeakPolarHBondContact CB-OD1 3.38Å; D737-R767 WeakPolarHBondContact CA-O 3.41Å; D737-R767 VanDerWaalsContact CG-NH2 3.25Å; D737-R767 IonicContact OD1-CZ 2.91Å; D737-R767 VanDerWaalsContact OD1-CZ 3.28Å; D737-R767 IonicContact OD1-NE 2.66Å; D737-R767 PolarHBondContact OD1-NE 3.45Å; D737-R767 IonicContact OD1-NH2 3.63Å; D737-R767 PolarHBondContact OD1-NH2 3.4Å; D737-R767 IonicContact OD2-CZ 2.82Å; D737-R767 IonicContact OD2-NE 2.74Å; D737-R767 IonicContact OD2-NH2 2.71Å; D737-R767 PolarHBondContact OD2-NH2 3.22Å; D737-F769 HydrophobicContact CB-CD2 4.26Å; D737-F769 HydrophobicContact CB-CE2 3.85Å; D737-S877 WeakPolarHBondContact OD2-CA 3.43Å; D737-S877 WeakPolarHBondContact OD2-CB 3.48Å; D737-S877 PolarHBondContact OD2-OG 2.89Å; D737-S880 WeakPolarHBondContact OD2-CB 2.98Å; D737-L882 PolarHBondContact N-O 2.85Å; D737-V883 HydrophobicContact CB-CG1 4.37Å; D737-V883 CarbonylContact O-C 3.56Å; D737-V883 WeakPolarHBondContact O-CA 3.25Å; D737-I884 PolarHBondContact O-N 3.1Å |
| 738 | V | 92.9 | Very high | 83.6 | Confident | 2 Ų | 2 | 37.3 Ų | 37.3 | 1% | 0.012 | 21% | 0.206 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 116.6 | 176.6 | -178.2 | 0 | 0 | 0 | 0 | 108.5 | L748 P752 R767 I768 F769 I884 | V738-L748 HydrophobicContact CG1-CB 3.74Å; V738-P752 HydrophobicContact CG2-CB 4.48Å; V738-P752 HydrophobicContact CG2-CG 3.33Å; V738-R767 PolarHBondContact N-O 3.1Å; V738-I768 HydrophobicContact CB-CG1 4.37Å; V738-F769 PolarHBondContact O-N 3.38Å; V738-I884 HydrophobicContact CG2-CB 4.49Å; V738-I884 HydrophobicContact CG2-CD1 4.49Å |
| 739 | W | 91.1 | Very high | 84 | Confident | 0 Ų | 0 | 36 Ų | 36 | 0% | 0 | 20% | 0.2 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -99.9 | 104.6 | 175.6 | -78.2 | 83.5 | 0 | 0 | 0 | 109.8 | F741 F769 V771 V801 V872 I873 I876 S877 V883 I884 L885 N886 | W739-F741 HydrophobicContact CB-CD2 4.46Å; W739-F741 HydrophobicContact CB-CE2 3.75Å; W739-F741 HydrophobicContact CB-CZ 4.34Å; W739-F741 HydrophobicContact CE3-CZ 4.17Å; W739-F769 HydrophobicContact CD2-CB 3.89Å; W739-F769 HydrophobicContact CD2-CD2 4.43Å; W739-F769 HydrophobicContact CD2-CG 4.4Å; W739-F769 AromaticContact CE2-CD2 3.92Å; W739-F769 HydrophobicContact CE3-CB 3.92Å; W739-F769 HydrophobicContact CG-CB 4.43Å; W739-F769 HydrophobicContact CH2-CB 4.33Å; W739-F769 HydrophobicContact CH2-CG 4.49Å; W739-F769 HydrophobicContact CZ2-CB 4.28Å; W739-F769 HydrophobicContact CZ2-CD2 4.26Å; W739-F769 HydrophobicContact CZ2-CG 4.12Å; W739-F769 HydrophobicContact CZ3-CB 4.15Å; W739-F769 AromaticContact NE1-CD2 3.82Å; W739-V771 HydrophobicContact CE3-CG2 3.76Å; W739-V771 HydrophobicContact CZ3-CG2 3.9Å; W739-V801 HydrophobicContact CH2-CG1 4.42Å; W739-V801 HydrophobicContact CH2-CG2 4.2Å; W739-V801 HydrophobicContact CZ3-CB 4.37Å; W739-V801 HydrophobicContact CZ3-CG1 4.31Å; W739-V801 HydrophobicContact CZ3-CG2 4.23Å; W739-V872 HydrophobicContact CH2-CG1 4.02Å; W739-I873 HydrophobicContact CD2-CD1 4.4Å; W739-I873 HydrophobicContact CD2-CG1 3.8Å; W739-I873 HydrophobicContact CE3-CG1 4.03Å; W739-I873 HydrophobicContact CG-CG1 4.36Å; W739-I873 HydrophobicContact CH2-CG1 4.07Å; W739-I873 HydrophobicContact CZ2-CB 4.19Å; W739-I873 HydrophobicContact CZ2-CG1 3.86Å; W739-I873 HydrophobicContact CZ2-CG2 4.41Å; W739-I873 HydrophobicContact CZ3-CG1 4.16Å; W739-I876 HydrophobicContact CH2-CD1 4.01Å; W739-I876 HydrophobicContact CZ2-CB 4.15Å; W739-I876 HydrophobicContact CZ2-CD1 4.37Å; W739-I876 HydrophobicContact CZ2-CG2 4.26Å; W739-S877 PolarHBondContact NE1-OG 2.86Å; W739-V883 VanDerWaalsContact CD1-CG1 3.42Å; W739-V883 HydrophobicContact CG-CG1 4.48Å; W739-I884 PolarHBondContact N-O 3.47Å; W739-L885 HydrophobicContact CB-CD2 4.08Å; W739-L885 HydrophobicContact CG-CD2 4.29Å; W739-N886 PolarHBondContact O-OD1 3.02Å; W739-N886 VanDerWaalsContact O-OD1 3.09Å |
| 740 | W | 86.3 | Confident | 84.5 | Confident | 52 Ų | 52 | 26.9 Ų | 26.9 | 20% | 0.197 | 16% | 0.16 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -98.3 | 111.2 | -176.7 | 177.4 | 36.9 | 0 | 0 | 0 | 111 | Q743 G745 L748 F769 A770 V771 L785 | W740-Q743 PolarHBondContact NE1-O 3.24Å; W740-Q743 VanDerWaalsContact NE1-O 3.15Å; W740-G745 VanDerWaalsContact NE1-CA 3.34Å; W740-L748 HydrophobicContact CB-CD1 4.39Å; W740-L748 HydrophobicContact CG-CD1 4.31Å; W740-F769 PolarHBondContact N-O 3.31Å; W740-A770 HydrophobicContact CE3-CB 3.89Å; W740-A770 HydrophobicContact CZ3-CB 4.29Å; W740-V771 PolarHBondContact O-N 3.06Å; W740-L785 HydrophobicContact CE3-CD2 4.46Å; W740-L785 HydrophobicContact CH2-CD2 3.97Å; W740-L785 HydrophobicContact CZ3-CD1 3.98Å; W740-L785 HydrophobicContact CZ3-CD2 3.41Å; W740-L785 VanDerWaalsContact CZ3-CD2 3.41Å; W740-L785 HydrophobicContact CZ3-CG 4.34Å |
| 741 | F | 77.5 | Confident | 84.8 | Confident | 3 Ų | 3 | 23.4 Ų | 23.4 | 1% | 0.013 | 14% | 0.141 | C | C | . | . | trans | -103.8 | 78.1 | 176.4 | -61 | -87.8 | 0 | 0 | 0 | 110.3 | W739 Q743 V771 L808 F811 V869 I873 N886 | W739-F741 HydrophobicContact CB-CD2 4.46Å; W739-F741 HydrophobicContact CB-CE2 3.75Å; W739-F741 HydrophobicContact CB-CZ 4.34Å; W739-F741 HydrophobicContact CE3-CZ 4.17Å; F741-Q743 PolarHBondContact O-N 2.93Å; F741-V771 HydrophobicContact CD1-CB 3.88Å; F741-V771 HydrophobicContact CD1-CG1 4.11Å; F741-V771 HydrophobicContact CD1-CG2 3.81Å; F741-V771 HydrophobicContact CE1-CB 4.11Å; F741-V771 HydrophobicContact CE1-CG1 4.2Å; F741-V771 HydrophobicContact CE1-CG2 3.58Å; F741-V771 HydrophobicContact CZ-CG2 4.16Å; F741-L808 HydrophobicContact CD1-CD2 4.28Å; F741-F811 HydrophobicContact CB-CB 4.45Å; F741-F811 HydrophobicContact CB-CD1 4.09Å; F741-F811 HydrophobicContact CB-CG 4.23Å; F741-F811 HydrophobicContact CD1-CD2 4.4Å; F741-F811 HydrophobicContact CD1-CE2 4.48Å; F741-F811 HydrophobicContact CG-CD1 4.44Å; F741-V869 HydrophobicContact CE1-CG1 3.84Å; F741-V869 HydrophobicContact CZ-CG1 3.64Å; F741-I873 HydrophobicContact CZ-CD1 4.39Å; F741-N886 HydrophobicContact CB-CB 4.45Å; F741-N886 HydrophobicContact CD2-CB 4.2Å; F741-N886 PolarHBondContact N-ND2 3.26Å; F741-N886 VanDerWaalsContact N-ND2 3.15Å; F741-N886 PolarHBondContact O-ND2 3.43Å; F741-N886 VanDerWaalsContact O-ND2 3.14Å | ||
| 742 | A | 67 | Low | 85.2 | Confident | 35 Ų | 35 | 18.4 Ų | 18.4 | 29% | 0.289 | 11% | 0.111 | S | C | . | . | S | Bend | trans | 55 | -29.8 | 174.6 | 0 | 0 | 0 | 0 | 0 | 118.8 | ||
| 743 | Q | 72.2 | Confident | 85.2 | Confident | 20 Ų | 20 | 18.7 Ų | 18.7 | 9% | 0.093 | 11% | 0.113 | C | C | . | . | S | Bend | trans | -106.2 | 156.1 | -176.4 | -60.9 | -178.5 | -1 | 0 | 0 | 110.6 | W740 F741 G745 F811 N886 | W740-Q743 PolarHBondContact NE1-O 3.24Å; W740-Q743 VanDerWaalsContact NE1-O 3.15Å; F741-Q743 PolarHBondContact O-N 2.93Å; Q743-G745 PolarHBondContact O-N 3.23Å; Q743-F811 PolarHBondContact NE2-O 3.32Å; Q743-N886 PolarHBondContact O-ND2 2.97Å |
| 744 | D | 74.6 | Confident | 85.2 | Confident | 12 Ų | 12 | 15 Ų | 15 | 6% | 0.064 | 9% | 0.09 | C | C | . | . | trans | 54.2 | 27.5 | 171 | -53 | -26 | 0 | 0 | 0 | 116.3 | G746 L747 L748 R822 G919 | D744-G746 VanDerWaalsContact C-N 3.29Å; D744-G746 PolarHBondContact O-N 2.99Å; D744-L747 HydrophobicContact CB-CB 4.45Å; D744-L747 PolarHBondContact O-N 2.92Å; D744-L748 WeakPolarHBondContact O-CD1 3.4Å; D744-L748 WeakPolarHBondContact O-CG 3.35Å; D744-L748 PolarHBondContact O-N 3.24Å; D744-L748 VanDerWaalsContact O-N 3.1Å; D744-R822 IonicContact OD1-NH2 2.73Å; D744-R822 PolarHBondContact OD1-NH2 3.01Å; D744-G919 PolarHBondContact OD2-N 3.24Å | ||
| 745 | G | 74.2 | Confident | 85.2 | Confident | 9 Ų | 9 | 13.9 Ų | 13.9 | 9% | 0.093 | 8% | 0.078 | C | C | . | . | H | α-helix | trans | -52.6 | -42.8 | -177.1 | 0 | 0 | 0 | 0 | 0 | 113.6 | W740 Q743 L747 L748 I749 | W740-G745 VanDerWaalsContact NE1-CA 3.34Å; Q743-G745 PolarHBondContact O-N 3.23Å; G745-L747 PolarHBondContact O-N 2.96Å; G745-L748 PolarHBondContact O-N 2.92Å; G745-I749 VanDerWaalsContact O-CG1 3.29Å; G745-I749 WeakPolarHBondContact O-CG1 3.34Å; G745-I749 PolarHBondContact O-N 2.93Å; G745-I749 VanDerWaalsContact O-N 3.08Å |
| 746 | G | 79.2 | Confident | 85.1 | Confident | 19 Ų | 19 | 13.1 Ų | 13.1 | 20% | 0.196 | 7% | 0.074 | C | C | . | . | H | α-helix | trans | -61.2 | -44 | 177.1 | 0 | 0 | 0 | 0 | 0 | 113.2 | D744 I749 L750 I925 F928 | D744-G746 VanDerWaalsContact C-N 3.29Å; D744-G746 PolarHBondContact O-N 2.99Å; G746-I749 PolarHBondContact O-N 3.5Å; G746-L750 VanDerWaalsContact O-CB 3.3Å; G746-L750 WeakPolarHBondContact O-CB 3.39Å; G746-L750 PolarHBondContact O-N 2.89Å; G746-I925 WeakPolarHBondContact O-CD1 3.49Å; G746-F928 WeakPolarHBondContact O-CE1 3.37Å |
| 747 | L | 84.7 | Confident | 84.8 | Confident | 5 Ų | 5 | 20.2 Ų | 20.2 | 3% | 0.026 | 10% | 0.101 | C | C | . | . | H | α-helix | trans | -64.7 | -45 | 179.7 | 174.5 | 67.1 | 0 | 0 | 0 | 110.8 | W578 C717 D744 G745 I749 L750 L751 A917 | W578-L747 HydrophobicContact CH2-CD1 3.67Å; W578-L747 HydrophobicContact CZ3-CD1 3.69Å; C717-L747 WeakPolarHBondContact SG-CD2 3.43Å; D744-L747 HydrophobicContact CB-CB 4.45Å; D744-L747 PolarHBondContact O-N 2.92Å; G745-L747 PolarHBondContact O-N 2.96Å; L747-I749 VanDerWaalsContact C-N 3.31Å; L747-I749 PolarHBondContact O-N 2.73Å; L747-L750 PolarHBondContact O-N 3Å; L747-L751 HydrophobicContact CD1-CG 4.4Å; L747-L751 HydrophobicContact CG-CD1 4.37Å; L747-L751 WeakPolarHBondContact O-CG 3.38Å; L747-L751 PolarHBondContact O-N 2.92Å; L747-A917 HydrophobicContact CD2-CB 4.33Å |
| 748 | L | 87.7 | Confident | 84.5 | Confident | 1 Ų | 1 | 22 Ų | 22 | 1% | 0.005 | 11% | 0.109 | C | C | . | . | H | α-helix | trans | -66 | -32.5 | -177.4 | -64.5 | 157.6 | 0 | 0 | 0 | 112.9 | V738 W740 D744 G745 P752 I884 N886 A917 | V738-L748 HydrophobicContact CG1-CB 3.74Å; W740-L748 HydrophobicContact CB-CD1 4.39Å; W740-L748 HydrophobicContact CG-CD1 4.31Å; D744-L748 WeakPolarHBondContact O-CD1 3.4Å; D744-L748 WeakPolarHBondContact O-CG 3.35Å; D744-L748 PolarHBondContact O-N 3.24Å; D744-L748 VanDerWaalsContact O-N 3.1Å; G745-L748 PolarHBondContact O-N 2.92Å; L748-P752 WeakPolarHBondContact O-CD 3.45Å; L748-P752 WeakPolarHBondContact O-CG 3.3Å; L748-I884 HydrophobicContact CD2-CG2 3.77Å; L748-N886 WeakPolarHBondContact CD1-OD1 3.21Å; L748-N886 WeakPolarHBondContact CD2-OD1 3.41Å; L748-A917 HydrophobicContact CD2-CB 4.07Å |
| 749 | I | 87.1 | Confident | 84.2 | Confident | 8 Ų | 8 | 25.4 Ų | 25.4 | 4% | 0.041 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -77.4 | -36.3 | 174.4 | -66.9 | 169.4 | 0 | 0 | 0 | 110.6 | G745 G746 L747 P752 C753 I768 W788 V794 F928 | G745-I749 VanDerWaalsContact O-CG1 3.29Å; G745-I749 WeakPolarHBondContact O-CG1 3.34Å; G745-I749 PolarHBondContact O-N 2.93Å; G745-I749 VanDerWaalsContact O-N 3.08Å; G746-I749 PolarHBondContact O-N 3.5Å; L747-I749 VanDerWaalsContact C-N 3.31Å; L747-I749 PolarHBondContact O-N 2.73Å; I749-P752 WeakPolarHBondContact O-CD 3.34Å; I749-C753 PolarHBondContact O-SG 3.31Å; I749-I768 HydrophobicContact CD1-CD1 4.33Å; I749-I768 HydrophobicContact CG1-CD1 4.07Å; I749-W788 HydrophobicContact CD1-CE3 4.2Å; I749-W788 HydrophobicContact CD1-CH2 3.64Å; I749-W788 HydrophobicContact CD1-CZ3 3.27Å; I749-V794 HydrophobicContact CG2-CG1 4.29Å; I749-V794 HydrophobicContact CG2-CG2 4.23Å; I749-F928 HydrophobicContact CB-CE1 3.94Å; I749-F928 HydrophobicContact CG2-CD1 3.97Å; I749-F928 HydrophobicContact CG2-CE1 3.74Å; I749-F928 HydrophobicContact CG2-CZ 4.46Å |
| 750 | L | 88.2 | Confident | 84.1 | Confident | 1 Ų | 1 | 25.4 Ų | 25.4 | 1% | 0.005 | 13% | 0.133 | C | C | . | . | H | α-helix | trans | -65.2 | -39.8 | 179.4 | -178.5 | 65.9 | 0 | 0 | 0 | 112.5 | W578 G746 L747 C753 L754 I925 F928 | W578-L750 HydrophobicContact CE3-CD2 4.14Å; W578-L750 HydrophobicContact CZ3-CD2 4.03Å; G746-L750 VanDerWaalsContact O-CB 3.3Å; G746-L750 WeakPolarHBondContact O-CB 3.39Å; G746-L750 PolarHBondContact O-N 2.89Å; L747-L750 PolarHBondContact O-N 3Å; L750-C753 WeakPolarHBondContact O-CB 3.32Å; L750-C753 PolarHBondContact O-N 3.41Å; L750-L754 HydrophobicContact CD1-CD1 4.34Å; L750-L754 HydrophobicContact CD1-CG 4.18Å; L750-L754 HydrophobicContact CD2-CD1 4.41Å; L750-L754 HydrophobicContact CG-CD1 3.97Å; L750-L754 HydrophobicContact CG-CG 4.22Å; L750-L754 WeakPolarHBondContact O-CG 3.35Å; L750-L754 PolarHBondContact O-N 3.21Å; L750-I925 HydrophobicContact CB-CD1 4.08Å; L750-I925 HydrophobicContact CD2-CD1 3.7Å; L750-I925 HydrophobicContact CD2-CG1 4.33Å; L750-F928 HydrophobicContact CB-CD1 4.15Å; L750-F928 HydrophobicContact CB-CE1 4Å; L750-F928 HydrophobicContact CD1-CD1 4.13Å |
| 751 | L | 90 | Very high | 84.4 | Confident | 1 Ų | 1 | 23 Ų | 23 | 1% | 0.005 | 12% | 0.124 | C | C | . | . | H | α-helix | trans | -58.2 | -51.6 | -177.2 | -71.5 | 170.7 | 0 | 0 | 0 | 113.6 | L607 L719 L747 C753 L754 L755 I884 L915 A917 | L607-L751 HydrophobicContact CD2-CD2 4.06Å; L719-L751 HydrophobicContact CD1-CD2 4.16Å; L719-L751 HydrophobicContact CD2-CD1 3.8Å; L719-L751 HydrophobicContact CD2-CD2 4.29Å; L747-L751 HydrophobicContact CD1-CG 4.4Å; L747-L751 HydrophobicContact CG-CD1 4.37Å; L747-L751 WeakPolarHBondContact O-CG 3.38Å; L747-L751 PolarHBondContact O-N 2.92Å; L751-C753 VanDerWaalsContact C-N 3.34Å; L751-C753 PolarHBondContact O-N 3.44Å; L751-L754 PolarHBondContact O-N 3.32Å; L751-L755 WeakPolarHBondContact O-CG 3.41Å; L751-L755 PolarHBondContact O-N 3.02Å; L751-I884 HydrophobicContact CB-CD1 4.07Å; L751-I884 HydrophobicContact CD1-CG2 4.33Å; L751-L915 HydrophobicContact CD1-CD2 4.21Å; L751-A917 HydrophobicContact CD1-CB 3.83Å |
| 752 | P | 90.5 | Very high | 84.9 | Confident | 3 Ų | 3 | 31.5 Ų | 31.5 | 2% | 0.019 | 16% | 0.156 | C | C | . | . | H | α-helix | trans | -60.1 | -38.9 | 172.9 | -15.3 | 19.3 | 0 | 0 | 0 | 113.6 | I736 V738 L748 I749 L754 L755 R756 T766 I884 | I736-P752 HydrophobicContact CG2-CB 4.04Å; I736-P752 HydrophobicContact CG2-CG 4.25Å; V738-P752 HydrophobicContact CG2-CB 4.48Å; V738-P752 HydrophobicContact CG2-CG 3.33Å; L748-P752 WeakPolarHBondContact O-CD 3.45Å; L748-P752 WeakPolarHBondContact O-CG 3.3Å; I749-P752 WeakPolarHBondContact O-CD 3.34Å; P752-L754 VanDerWaalsContact C-N 3.31Å; P752-L754 PolarHBondContact O-N 3.34Å; P752-L755 PolarHBondContact O-N 3.09Å; P752-R756 WeakPolarHBondContact O-CB 3.42Å; P752-R756 WeakPolarHBondContact O-CG 3.14Å; P752-R756 PolarHBondContact O-N 2.68Å; P752-T766 HydrophobicContact CB-CG2 3.43Å; P752-T766 VanDerWaalsContact CB-CG2 3.43Å; P752-T766 HydrophobicContact CG-CG2 4.36Å; P752-I884 HydrophobicContact CG-CD1 3.75Å |
| 753 | C | 88.1 | Confident | 86.1 | Confident | 26 Ų | 26 | 34.8 Ų | 34.8 | 18% | 0.176 | 17% | 0.169 | C | C | . | . | H | α-helix | trans | -60.1 | -43 | 177.2 | -70.1 | 0 | 0 | 0 | 0 | 111.2 | I749 L750 L751 | I749-C753 PolarHBondContact O-SG 3.31Å; L750-C753 WeakPolarHBondContact O-CB 3.32Å; L750-C753 PolarHBondContact O-N 3.41Å; L751-C753 VanDerWaalsContact C-N 3.34Å; L751-C753 PolarHBondContact O-N 3.44Å |
| 754 | L | 89.1 | Confident | 86.9 | Confident | 19 Ų | 19 | 34 Ų | 34 | 10% | 0.099 | 17% | 0.165 | C | C | . | . | H | α-helix | trans | -68 | -42.1 | 175.7 | -66.4 | 176.9 | 0 | 0 | 0 | 111.9 | P580 L607 L750 L751 P752 R757 | P580-L754 HydrophobicContact CG-CD1 3.6Å; L607-L754 HydrophobicContact CD2-CB 4.37Å; L750-L754 HydrophobicContact CD1-CD1 4.34Å; L750-L754 HydrophobicContact CD1-CG 4.18Å; L750-L754 HydrophobicContact CD2-CD1 4.41Å; L750-L754 HydrophobicContact CG-CD1 3.97Å; L750-L754 HydrophobicContact CG-CG 4.22Å; L750-L754 WeakPolarHBondContact O-CG 3.35Å; L750-L754 PolarHBondContact O-N 3.21Å; L751-L754 PolarHBondContact O-N 3.32Å; P752-L754 VanDerWaalsContact C-N 3.31Å; P752-L754 PolarHBondContact O-N 3.34Å; L754-R757 WeakPolarHBondContact O-CB 3.35Å; L754-R757 PolarHBondContact O-N 3.42Å |
| 755 | L | 89.7 | Confident | 87.7 | Confident | 0 Ų | 0 | 38.1 Ų | 38.1 | 0% | 0 | 18% | 0.184 | C | C | . | . | H | α-helix | trans | -63.9 | -44.4 | 178.3 | -73.4 | 172.5 | 0 | 0 | 0 | 112.6 | L603 M606 L607 L751 P752 R757 H758 W761 L882 | L603-L755 HydrophobicContact CD1-CD2 3.89Å; M606-L755 HydrophobicContact CB-CD2 4.14Å; L607-L755 HydrophobicContact CD2-CD1 4.39Å; L607-L755 HydrophobicContact CD2-CD2 3.58Å; L607-L755 HydrophobicContact CD2-CG 3.64Å; L607-L755 HydrophobicContact CG-CD2 3.85Å; L607-L755 HydrophobicContact CG-CG 4.46Å; L751-L755 WeakPolarHBondContact O-CG 3.41Å; L751-L755 PolarHBondContact O-N 3.02Å; P752-L755 PolarHBondContact O-N 3.09Å; L755-R757 PolarHBondContact O-N 3.05Å; L755-R757 VanDerWaalsContact O-N 3.09Å; L755-H758 WeakPolarHBondContact O-CB 3.45Å; L755-H758 PolarHBondContact O-N 3.02Å; L755-W761 HydrophobicContact CB-CB 4.43Å; L755-W761 HydrophobicContact CB-CG 4.3Å; L755-W761 WeakPolarHBondContact O-CB 3.42Å; L755-L882 HydrophobicContact CD1-CD2 3.56Å |
| 756 | R | 89.8 | Confident | 88.6 | Confident | 59 Ų | 59 | 38 Ų | 38 | 22% | 0.223 | 18% | 0.182 | C | C | . | . | H | α-helix | trans | -61.4 | -17.2 | 179.9 | -79.3 | -177.3 | 65.7 | -164.6 | -5.7 | 113.8 | I736 P752 H758 R762 C764 T766 E795 | I736-R756 HydrophobicContact CD1-CG 4.07Å; P752-R756 WeakPolarHBondContact O-CB 3.42Å; P752-R756 WeakPolarHBondContact O-CG 3.14Å; P752-R756 PolarHBondContact O-N 2.68Å; R756-H758 VanDerWaalsContact C-N 3.31Å; R756-R762 WeakPolarHBondContact O-CA 3.38Å; R756-C764 PolarHBondContact NE-O 3.37Å; R756-T766 PolarHBondContact NH1-OG1 3.15Å; R756-E795 IonicContact CZ-OE2 3Å; R756-E795 PolarHBondContact NH1-O 2.8Å; R756-E795 IonicContact NH1-OE2 3.83Å; R756-E795 IonicContact NH2-OE2 2.75Å; R756-E795 PolarHBondContact NH2-OE2 2.62Å |
| 757 | R | 87 | Confident | 89.3 | Confident | 150 Ų | 150 | 39.2 Ų | 39.2 | 57% | 0.566 | 18% | 0.18 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -72.4 | -26.7 | 172.2 | -71.5 | 179.5 | 161.6 | 176.1 | -2.7 | 113 | L754 L755 S929 | L754-R757 WeakPolarHBondContact O-CB 3.35Å; L754-R757 PolarHBondContact O-N 3.42Å; L755-R757 PolarHBondContact O-N 3.05Å; L755-R757 VanDerWaalsContact O-N 3.09Å; R757-S929 VanDerWaalsContact CZ-C 3.4Å; R757-S929 PolarHBondContact NH1-O 3.04Å; R757-S929 PolarHBondContact NH1-OXT 3.33Å; R757-S929 PolarHBondContact NH2-OXT 3.18Å |
| 758 | H | 88 | Confident | 89.6 | Confident | 37 Ų | 37 | 39.4 Ų | 39.4 | 17% | 0.171 | 18% | 0.181 | C | C | . | . | S | Bend | trans | -76.1 | 144.5 | 178 | -161.9 | -90.4 | 0 | 0 | 0 | 110.5 | L755 R756 V760 W761 R762 | L755-H758 WeakPolarHBondContact O-CB 3.45Å; L755-H758 PolarHBondContact O-N 3.02Å; R756-H758 VanDerWaalsContact C-N 3.31Å; H758-V760 VanDerWaalsContact ND1-CG2 3.26Å; H758-V760 WeakPolarHBondContact ND1-CG2 3.21Å; H758-V760 PolarHBondContact ND1-N 3.12Å; H758-V760 PolarHBondContact O-N 2.97Å; H758-V760 VanDerWaalsContact O-N 3.12Å; H758-W761 PolarHBondContact O-N 3.44Å; H758-W761 VanDerWaalsContact O-N 3.15Å; H758-R762 PolarHBondContact O-N 3.49Å; H758-R762 VanDerWaalsContact O-N 3.11Å |
| 759 | S | 87.4 | Confident | 89.7 | Confident | 73 Ų | 73 | 39.7 Ų | 39.7 | 51% | 0.51 | 18% | 0.182 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -52.9 | -37.1 | -178.1 | 52 | 0 | 0 | 0 | 0 | 113.3 | W761 | S759-W761 PolarHBondContact O-N 3.24Š|
| 760 | V | 89.1 | Confident | 89.7 | Confident | 0 Ų | 0 | 39.4 Ų | 39.4 | 0% | 0 | 18% | 0.181 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -58.9 | -44.2 | -179.5 | 177.9 | 0 | 0 | 0 | 0 | 112.6 | M606 P726 D730 V732 H758 | M606-V760 HydrophobicContact CE-CB 4.23Å; M606-V760 HydrophobicContact CE-CG1 3.94Å; M606-V760 HydrophobicContact CE-CG2 3.81Å; M606-V760 HydrophobicContact SD-CB 4.37Å; M606-V760 HydrophobicContact SD-CG1 4.24Å; M606-V760 HydrophobicContact SD-CG2 4.41Å; P726-V760 HydrophobicContact CB-CG1 4.02Å; P726-V760 HydrophobicContact CG-CG1 3.72Å; D730-V760 WeakPolarHBondContact O-CA 3.32Å; D730-V760 VanDerWaalsContact O-CG2 3.28Å; D730-V760 WeakPolarHBondContact O-CG2 3.35Å; V732-V760 HydrophobicContact CG2-CG1 4.01Å; V732-V760 PolarHBondContact N-O 3.18Å; H758-V760 VanDerWaalsContact ND1-CG2 3.26Å; H758-V760 WeakPolarHBondContact ND1-CG2 3.21Å; H758-V760 PolarHBondContact ND1-N 3.12Å; H758-V760 PolarHBondContact O-N 2.97Å; H758-V760 VanDerWaalsContact O-N 3.12Å |
| 761 | W | 90.6 | Very high | 89.5 | Confident | 2 Ų | 2 | 40 Ų | 40 | 1% | 0.008 | 19% | 0.185 | C | C | . | . | T | Hydrogen-bonded Turn | trans | -107.2 | 2.8 | -172.4 | -61.8 | 98 | 0 | 0 | 0 | 113.5 | M606 P726 V732 I736 L755 H758 S759 N763 C764 K881 L882 | M606-W761 PolarHBondContact SD-NE1 2.91Å; P726-W761 HydrophobicContact CG-CH2 4.25Å; P726-W761 HydrophobicContact CG-CZ2 3.56Å; V732-W761 HydrophobicContact CG1-CE3 4.5Å; V732-W761 HydrophobicContact CG1-CZ3 4.16Å; I736-W761 HydrophobicContact CD1-CB 4.34Å; I736-W761 HydrophobicContact CD1-CD2 4.38Å; I736-W761 HydrophobicContact CD1-CE3 3.86Å; I736-W761 HydrophobicContact CG1-CE3 3.88Å; I736-W761 HydrophobicContact CG1-CZ3 4.18Å; L755-W761 HydrophobicContact CB-CB 4.43Å; L755-W761 HydrophobicContact CB-CG 4.3Å; L755-W761 WeakPolarHBondContact O-CB 3.42Å; H758-W761 PolarHBondContact O-N 3.44Å; H758-W761 VanDerWaalsContact O-N 3.15Å; S759-W761 PolarHBondContact O-N 3.24Å; W761-N763 PolarHBondContact O-N 3.25Å; W761-C764 HydrophobicContact CE3-CB 4.36Å; W761-C764 WeakPolarHBondContact O-CB 3.38Å; W761-C764 PolarHBondContact O-N 3.41Å; W761-K881 HydrophobicContact CH2-CB 4.42Å; W761-K881 HydrophobicContact CZ3-CB 3.94Å; W761-L882 HydrophobicContact CH2-CB 3.71Å; W761-L882 HydrophobicContact CH2-CD2 4.32Å; W761-L882 HydrophobicContact CZ2-CD2 4.43Å; W761-L882 HydrophobicContact CZ3-CB 3.83Å |
| 762 | R | 89.6 | Confident | 88.9 | Confident | 181 Ų | 181 | 40.7 Ų | 40.7 | 68% | 0.683 | 19% | 0.189 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -55.3 | -37.8 | -175.4 | -174.4 | 177.4 | 179.2 | 179.5 | -0.1 | 113.4 | R756 H758 C764 | R756-R762 WeakPolarHBondContact O-CA 3.38Å; H758-R762 PolarHBondContact O-N 3.49Å; H758-R762 VanDerWaalsContact O-N 3.11Å; R762-C764 VanDerWaalsContact C-N 3.32Å |
| 763 | N | 90.6 | Very high | 88.1 | Confident | 105 Ų | 105 | 41.8 Ų | 41.8 | 56% | 0.561 | 20% | 0.195 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -90.1 | 5.8 | -176.9 | -63.7 | -15 | 0 | 0 | 0 | 113.3 | T733 W761 | T733-N763 HydrophobicContact CG2-CB 3.97Å; W761-N763 PolarHBondContact O-N 3.25Å |
| 764 | C | 90.7 | Very high | 87.4 | Confident | 2 Ų | 2 | 44.1 Ų | 44.1 | 1% | 0.014 | 21% | 0.21 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -87 | 142.1 | 177.7 | -69.2 | 0 | 0 | 0 | 0 | 111.7 | V732 G734 I736 R756 W761 R762 | V732-C764 PolarHBondContact O-SG 2.66Å; G734-C764 CarbonylContact O-C 2.94Å; G734-C764 VanDerWaalsContact O-CA 3.25Å; G734-C764 WeakPolarHBondContact O-CA 3.22Å; I736-C764 HydrophobicContact CD1-CB 3.89Å; I736-C764 HydrophobicContact CG1-CB 3.93Å; R756-C764 PolarHBondContact NE-O 3.37Å; W761-C764 HydrophobicContact CE3-CB 4.36Å; W761-C764 WeakPolarHBondContact O-CB 3.38Å; W761-C764 PolarHBondContact O-N 3.41Å; R762-C764 VanDerWaalsContact C-N 3.32Å |
| 765 | Q | 91.6 | Very high | 86.7 | Confident | 99 Ų | 99 | 49 Ų | 49 | 46% | 0.463 | 24% | 0.24 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.6 | 135.3 | 174.9 | -67.2 | -175.4 | -3.3 | 0 | 0 | 110.5 | G734 Y735 I736 | G734-Q765 PolarHBondContact O-N 3.14Å; Y735-Q765 CarbonylContact C-O 3.58Å; Y735-Q765 VanDerWaalsContact CA-O 3.3Å; Y735-Q765 WeakPolarHBondContact CA-O 3.18Å; Y735-Q765 HydrophobicContact CD1-CB 3.85Å; Y735-Q765 HydrophobicContact CE1-CB 4Å; I736-Q765 PolarHBondContact N-O 3.15Å |
| 766 | T | 91.6 | Very high | 86 | Confident | 7 Ų | 7 | 51.7 Ų | 51.7 | 4% | 0.043 | 26% | 0.255 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -90.4 | 129 | 178.8 | 27.8 | 0 | 0 | 0 | 0 | 111.8 | I736 P752 R756 E795 A796 K797 | I736-T766 HydrophobicContact CB-CG2 4.03Å; I736-T766 HydrophobicContact CD1-CG2 4.45Å; I736-T766 HydrophobicContact CG2-CG2 4.39Å; I736-T766 WeakPolarHBondContact O-CA 3.23Å; P752-T766 HydrophobicContact CB-CG2 3.43Å; P752-T766 VanDerWaalsContact CB-CG2 3.43Å; P752-T766 HydrophobicContact CG-CG2 4.36Å; R756-T766 PolarHBondContact NH1-OG1 3.15Å; T766-E795 PolarHBondContact OG1-O 2.84Å; T766-A796 VanDerWaalsContact O-CA 3.31Å; T766-A796 WeakPolarHBondContact O-CA 3.32Å; T766-K797 PolarHBondContact O-N 2.83Å |
| 767 | R | 93.4 | Very high | 85.6 | Confident | 45 Ų | 45 | 53.5 Ų | 53.5 | 17% | 0.17 | 27% | 0.268 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -121.1 | 127 | 174.3 | -55.9 | -171.2 | -62.6 | 178 | 5.2 | 109.2 | Y735 I736 D737 V738 F769 K797 I876 | Y735-R767 HydrophobicContact CD1-CG 3.95Å; I736-R767 PolarHBondContact O-N 2.87Å; D737-R767 WeakPolarHBondContact CA-O 3.41Å; D737-R767 VanDerWaalsContact CG-NH2 3.25Å; D737-R767 IonicContact OD1-CZ 2.91Å; D737-R767 VanDerWaalsContact OD1-CZ 3.28Å; D737-R767 IonicContact OD1-NE 2.66Å; D737-R767 PolarHBondContact OD1-NE 3.45Å; D737-R767 IonicContact OD1-NH2 3.63Å; D737-R767 PolarHBondContact OD1-NH2 3.4Å; D737-R767 IonicContact OD2-CZ 2.82Å; D737-R767 IonicContact OD2-NE 2.74Å; D737-R767 IonicContact OD2-NH2 2.71Å; D737-R767 PolarHBondContact OD2-NH2 3.22Å; V738-R767 PolarHBondContact N-O 3.1Å; R767-F769 HydrophobicContact CB-CE2 3.72Å; R767-F769 HydrophobicContact CB-CZ 3.87Å; R767-K797 CarbonylContact C-O 3.1Å; R767-K797 WeakPolarHBondContact CA-O 3.36Å; R767-I876 PolarHBondContact NH2-O 3.4Å |
| 768 | I | 91.3 | Very high | 85.5 | Confident | 8 Ų | 8 | 48.7 Ų | 48.7 | 4% | 0.041 | 26% | 0.256 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -107.4 | 119 | -179.7 | -60.5 | 168.4 | 0 | 0 | 0 | 107.9 | V738 I749 V789 A796 K797 V798 K799 | V738-I768 HydrophobicContact CB-CG1 4.37Å; I749-I768 HydrophobicContact CD1-CD1 4.33Å; I749-I768 HydrophobicContact CG1-CD1 4.07Å; I768-V789 HydrophobicContact CD1-CG2 3.97Å; I768-A796 HydrophobicContact CD1-CB 3.57Å; I768-A796 HydrophobicContact CG1-CB 3.94Å; I768-K797 PolarHBondContact N-O 2.92Å; I768-V798 CarbonylContact O-C 3.51Å; I768-V798 WeakPolarHBondContact O-CA 3.3Å; I768-K799 PolarHBondContact O-N 3.01Å |
| 769 | F | 91.4 | Very high | 85.3 | Confident | 7 Ų | 7 | 50.2 Ų | 50.2 | 3% | 0.031 | 28% | 0.275 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -104.6 | 107.1 | 175.4 | -59.3 | -77.4 | 0 | 0 | 0 | 108.9 | D737 V738 W739 W740 R767 K799 V801 I876 | D737-F769 HydrophobicContact CB-CD2 4.26Å; D737-F769 HydrophobicContact CB-CE2 3.85Å; V738-F769 PolarHBondContact O-N 3.38Å; W739-F769 HydrophobicContact CD2-CB 3.89Å; W739-F769 HydrophobicContact CD2-CD2 4.43Å; W739-F769 HydrophobicContact CD2-CG 4.4Å; W739-F769 AromaticContact CE2-CD2 3.92Å; W739-F769 HydrophobicContact CE3-CB 3.92Å; W739-F769 HydrophobicContact CG-CB 4.43Å; W739-F769 HydrophobicContact CH2-CB 4.33Å; W739-F769 HydrophobicContact CH2-CG 4.49Å; W739-F769 HydrophobicContact CZ2-CB 4.28Å; W739-F769 HydrophobicContact CZ2-CD2 4.26Å; W739-F769 HydrophobicContact CZ2-CG 4.12Å; W739-F769 HydrophobicContact CZ3-CB 4.15Å; W739-F769 AromaticContact NE1-CD2 3.82Å; W740-F769 PolarHBondContact N-O 3.31Å; R767-F769 HydrophobicContact CB-CE2 3.72Å; R767-F769 HydrophobicContact CB-CZ 3.87Å; F769-K799 VanDerWaalsContact CA-O 3.28Å; F769-K799 WeakPolarHBondContact CA-O 3.43Å; F769-K799 HydrophobicContact CD1-CB 3.92Å; F769-K799 HydrophobicContact CD1-CD 4.34Å; F769-K799 HydrophobicContact CD1-CG 4.45Å; F769-K799 HydrophobicContact CE1-CB 4.03Å; F769-K799 HydrophobicContact CE1-CD 4.02Å; F769-V801 HydrophobicContact CB-CG2 4.23Å; F769-V801 HydrophobicContact CD1-CG2 4.01Å; F769-I876 HydrophobicContact CD1-CG2 4.17Å; F769-I876 HydrophobicContact CE1-CG2 3.5Å; F769-I876 VanDerWaalsContact CE1-CG2 3.5Å; F769-I876 HydrophobicContact CE2-CG2 4.3Å; F769-I876 HydrophobicContact CZ-CG2 3.57Å |
| 770 | A | 86.4 | Confident | 85.3 | Confident | 2 Ų | 2 | 51.8 Ų | 51.8 | 2% | 0.017 | 27% | 0.274 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.6 | 121.5 | 174.7 | 0 | 0 | 0 | 0 | 0 | 109 | W740 L785 K799 V800 V801 | W740-A770 HydrophobicContact CE3-CB 3.89Å; W740-A770 HydrophobicContact CZ3-CB 4.29Å; A770-L785 HydrophobicContact CB-CD1 3.5Å; A770-L785 VanDerWaalsContact CB-CD1 3.5Å; A770-K799 PolarHBondContact N-O 3.04Å; A770-V800 HydrophobicContact CB-CG2 4.48Å; A770-V800 WeakPolarHBondContact O-CA 3.44Å; A770-V801 PolarHBondContact O-N 3.46Å |
| 771 | V | 83.5 | Confident | 84.9 | Confident | 15 Ų | 15 | 52.9 Ų | 52.9 | 9% | 0.091 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -89.9 | 124.1 | 178.2 | 180 | 0 | 0 | 0 | 0 | 109.5 | W739 W740 F741 V801 I803 L808 | W739-V771 HydrophobicContact CE3-CG2 3.76Å; W739-V771 HydrophobicContact CZ3-CG2 3.9Å; W740-V771 PolarHBondContact O-N 3.06Å; F741-V771 HydrophobicContact CD1-CB 3.88Å; F741-V771 HydrophobicContact CD1-CG1 4.11Å; F741-V771 HydrophobicContact CD1-CG2 3.81Å; F741-V771 HydrophobicContact CE1-CB 4.11Å; F741-V771 HydrophobicContact CE1-CG1 4.2Å; F741-V771 HydrophobicContact CE1-CG2 3.58Å; F741-V771 HydrophobicContact CZ-CG2 4.16Å; V771-V801 WeakPolarHBondContact CA-O 3.33Å; V771-I803 HydrophobicContact CG1-CB 4.05Å; V771-I803 HydrophobicContact CG1-CD1 3.7Å; V771-I803 HydrophobicContact CG1-CG1 3.93Å; V771-I803 HydrophobicContact CG2-CD1 4.26Å; V771-L808 HydrophobicContact CG1-CD1 3.87Å; V771-L808 HydrophobicContact CG1-CD2 3.97Å; V771-L808 HydrophobicContact CG1-CG 4.46Å |
| 772 | V | 78.1 | Confident | 84.7 | Confident | 14 Ų | 14 | 56 Ų | 56 | 9% | 0.085 | 30% | 0.295 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -131.1 | 149.7 | -170.1 | 176.4 | 0 | 0 | 0 | 0 | 109.6 | D776 V781 V800 V801 V802 I803 | V772-D776 HydrophobicContact CG1-CB 3.36Å; V772-D776 WeakPolarHBondContact CG1-OD2 3.39Å; V772-V781 HydrophobicContact CG2-CG1 3.95Å; V772-V800 HydrophobicContact CB-CG1 3.72Å; V772-V800 HydrophobicContact CG1-CG1 4.4Å; V772-V800 HydrophobicContact CG2-CG1 3.49Å; V772-V800 VanDerWaalsContact CG2-CG1 3.49Å; V772-V801 PolarHBondContact N-O 3.49Å; V772-V802 WeakPolarHBondContact O-CA 3.48Å; V772-I803 PolarHBondContact O-N 2.79Å |
| 773 | D | 73.1 | Confident | 84.6 | Confident | 26 Ų | 26 | 51 Ų | 51 | 14% | 0.139 | 29% | 0.288 | C | S | . | . | trans | -74.4 | 146.4 | 177.9 | -154.1 | -58.8 | 0 | 0 | 0 | 110.1 | V775 D776 N805 | D773-V775 PolarHBondContact O-N 3.34Å; D773-V775 PolarHBondContact OD1-N 3.09Å; D773-D776 PolarHBondContact O-N 3.1Å; D773-D776 VanDerWaalsContact O-N 3.07Å; D773-N805 WeakPolarHBondContact OD2-CB 3.42Å; D773-N805 PolarHBondContact OD2-ND2 2.94Å; D773-N805 PolarHBondContact OD2-OD1 2.85Å | ||
| 774 | P | 74.1 | Confident | 84.3 | Confident | 75 Ų | 75 | 49 Ų | 49 | 49% | 0.487 | 28% | 0.276 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -53.8 | -15.5 | 169.8 | 19.9 | -35.8 | 0 | 0 | 0 | 115.6 | V802 I803 | P774-V802 HydrophobicContact CB-CG1 3.9Å; P774-V802 HydrophobicContact CG-CG1 4.49Å; P774-I803 VanDerWaalsContact CD-O 3.28Å; P774-I803 WeakPolarHBondContact CD-O 3.45Å |
| 775 | V | 74.7 | Confident | 84 | Confident | 123 Ų | 123 | 49.9 Ų | 49.9 | 75% | 0.745 | 28% | 0.28 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -76.9 | -24.8 | 177.2 | -176.3 | 0 | 0 | 0 | 0 | 112.9 | D773 | D773-V775 PolarHBondContact O-N 3.34Å; D773-V775 PolarHBondContact OD1-N 3.09Å |
| 776 | D | 73.7 | Confident | 83.8 | Confident | 56 Ų | 56 | 49.5 Ų | 49.5 | 30% | 0.299 | 28% | 0.278 | S | S | . | . | S | Bend | trans | -85.7 | 150.1 | -175.4 | -61.1 | -45.2 | 0 | 0 | 0 | 111.8 | V772 D773 V778 | V772-D776 HydrophobicContact CG1-CB 3.36Å; V772-D776 WeakPolarHBondContact CG1-OD2 3.39Å; D773-D776 PolarHBondContact O-N 3.1Å; D773-D776 VanDerWaalsContact O-N 3.07Å; D776-V778 PolarHBondContact O-N 2.62Å; D776-V778 VanDerWaalsContact O-N 3.13Å |
| 777 | D | 82.2 | Confident | 83.5 | Confident | 96 Ų | 96 | 53.1 Ų | 53.1 | 51% | 0.513 | 30% | 0.297 | S | S | . | . | trans | -73.5 | 105 | 174.1 | -172.5 | -19 | 0 | 0 | 0 | 110.8 | A779 E780 V781 | D777-A779 VanDerWaalsContact C-N 3.26Å; D777-A779 PolarHBondContact O-N 3.3Å; D777-A779 WeakPolarHBondContact OD1-CB 3.21Å; D777-A779 PolarHBondContact OD1-N 2.66Å; D777-E780 HydrophobicContact CB-CB 3.93Å; D777-E780 PolarHBondContact O-N 3.11Å; D777-E780 PolarHBondContact OD1-N 2.71Å; D777-V781 VanDerWaalsContact O-CG2 3.31Å; D777-V781 WeakPolarHBondContact O-CG2 3.5Å; D777-V781 PolarHBondContact O-N 3.06Å | ||
| 778 | V | 83.3 | Confident | 82.9 | Confident | 50 Ų | 50 | 52.9 Ų | 52.9 | 30% | 0.303 | 30% | 0.296 | S | S | . | . | H | α-helix | trans | -57.6 | -38.6 | -179.1 | -177.9 | 0 | 0 | 0 | 0 | 112.1 | D776 Q782 V800 V802 | D776-V778 PolarHBondContact O-N 2.62Å; D776-V778 VanDerWaalsContact O-N 3.13Å; V778-Q782 WeakPolarHBondContact O-CB 3.29Å; V778-Q782 PolarHBondContact O-N 3.29Å; V778-V800 HydrophobicContact CG1-CB 3.92Å; V778-V800 HydrophobicContact CG1-CG1 3.87Å; V778-V802 HydrophobicContact CG2-CG2 3.51Å |
| 779 | A | 85.7 | Confident | 82.5 | Confident | 68 Ų | 68 | 52.9 Ų | 52.9 | 56% | 0.562 | 30% | 0.297 | S | S | * | . | H | α-helix | trans | -73.1 | -41.4 | -176.3 | 0 | 0 | 0 | 0 | 0 | 111.1 | D777 S783 | D777-A779 VanDerWaalsContact C-N 3.26Å; D777-A779 PolarHBondContact O-N 3.3Å; D777-A779 WeakPolarHBondContact OD1-CB 3.21Å; D777-A779 PolarHBondContact OD1-N 2.66Å; A779-S783 WeakPolarHBondContact O-CB 3.46Å; A779-S783 PolarHBondContact O-N 2.96Å |
| 780 | E | 85.6 | Confident | 82.1 | Confident | 106 Ų | 106 | 61.4 Ų | 61.4 | 50% | 0.495 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -63.1 | -50.6 | 175.4 | -171.6 | -177.3 | 174.1 | 0 | 0 | 110.9 | D777 Q782 S783 Q784 | D777-E780 HydrophobicContact CB-CB 3.93Å; D777-E780 PolarHBondContact O-N 3.11Å; D777-E780 PolarHBondContact OD1-N 2.71Å; E780-Q782 VanDerWaalsContact C-N 3.3Å; E780-Q782 PolarHBondContact O-N 2.94Å; E780-S783 PolarHBondContact O-N 3.44Å; E780-Q784 HydrophobicContact CG-CG 4.44Å; E780-Q784 WeakPolarHBondContact O-CB 3.42Å; E780-Q784 WeakPolarHBondContact O-CG 3.13Å; E780-Q784 PolarHBondContact O-N 3.32Å; E780-Q784 PolarHBondContact OE1-NE2 3.17Å |
| 781 | V | 81.2 | Confident | 81.8 | Confident | 24 Ų | 24 | 66.1 Ų | 66.1 | 15% | 0.145 | 35% | 0.351 | C | S | . | . | H | α-helix | trans | -61.6 | -40.8 | -179.8 | 175.5 | 0 | 0 | 0 | 0 | 110.9 | V772 D777 L785 V800 | V772-V781 HydrophobicContact CG2-CG1 3.95Å; D777-V781 VanDerWaalsContact O-CG2 3.31Å; D777-V781 WeakPolarHBondContact O-CG2 3.5Å; D777-V781 PolarHBondContact O-N 3.06Å; V781-L785 HydrophobicContact CG1-CD1 3.73Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 WeakPolarHBondContact O-CB 3.09Å; V781-L785 WeakPolarHBondContact O-CG 3.24Å; V781-L785 PolarHBondContact O-N 3.21Å; V781-V800 HydrophobicContact CG1-CG2 4.15Å |
| 782 | Q | 87.3 | Confident | 81.4 | Confident | 67 Ų | 67 | 66.3 Ų | 66.3 | 31% | 0.313 | 35% | 0.352 | S | S | . | . | H | α-helix | trans | -61.9 | -48.2 | 176.5 | -176.1 | 171.5 | -22.8 | 0 | 0 | 111.6 | V778 E780 Q784 L785 E786 V800 | V778-Q782 WeakPolarHBondContact O-CB 3.29Å; V778-Q782 PolarHBondContact O-N 3.29Å; E780-Q782 VanDerWaalsContact C-N 3.3Å; E780-Q782 PolarHBondContact O-N 2.94Å; Q782-Q784 PolarHBondContact O-N 3.39Å; Q782-L785 PolarHBondContact O-N 3.44Å; Q782-E786 HydrophobicContact CG-CG 4.45Å; Q782-E786 WeakPolarHBondContact CG-OE1 3.4Å; Q782-E786 PolarHBondContact NE2-OE1 3.49Å; Q782-E786 WeakPolarHBondContact O-CB 3.21Å; Q782-E786 WeakPolarHBondContact O-CG 3.47Å; Q782-E786 PolarHBondContact O-N 3.19Å; Q782-V800 HydrophobicContact CB-CG2 3.74Å; Q782-V800 HydrophobicContact CG-CG2 4.38Å |
| 783 | S | 87.5 | Confident | 81.6 | Confident | 76 Ų | 76 | 76.6 Ų | 76.6 | 53% | 0.531 | 39% | 0.389 | S | S | . | . | H | α-helix | trans | -62.3 | -43.4 | 179.4 | -175.4 | 0 | 0 | 0 | 0 | 112.3 | A779 E780 L785 E786 N787 | A779-S783 WeakPolarHBondContact O-CB 3.46Å; A779-S783 PolarHBondContact O-N 2.96Å; E780-S783 PolarHBondContact O-N 3.44Å; S783-L785 VanDerWaalsContact C-N 3.34Å; S783-L785 PolarHBondContact O-N 3.37Å; S783-E786 PolarHBondContact O-N 3.43Å; S783-N787 WeakPolarHBondContact O-CB 3.47Å; S783-N787 PolarHBondContact O-N 3.4Å |
| 784 | Q | 83.7 | Confident | 82 | Confident | 64 Ų | 64 | 76.1 Ų | 76.1 | 30% | 0.299 | 39% | 0.387 | S | S | . | . | H | α-helix | trans | -62.1 | -42 | 176.9 | -72.9 | -179.9 | 5.5 | 0 | 0 | 111.7 | E780 Q782 N787 W788 | E780-Q784 HydrophobicContact CG-CG 4.44Å; E780-Q784 WeakPolarHBondContact O-CB 3.42Å; E780-Q784 WeakPolarHBondContact O-CG 3.13Å; E780-Q784 PolarHBondContact O-N 3.32Å; E780-Q784 PolarHBondContact OE1-NE2 3.17Å; Q782-Q784 PolarHBondContact O-N 3.39Å; Q784-N787 PolarHBondContact O-N 3.18Å; Q784-W788 VanDerWaalsContact O-CB 3.29Å; Q784-W788 WeakPolarHBondContact O-CB 3.42Å; Q784-W788 PolarHBondContact O-N 3.36Å |
| 785 | L | 84.2 | Confident | 82.5 | Confident | 19 Ų | 19 | 79.5 Ų | 79.5 | 10% | 0.099 | 40% | 0.397 | C | S | . | . | H | α-helix | trans | -71.7 | -38.9 | 179.7 | -70.8 | 173.7 | 0 | 0 | 0 | 113.2 | W740 A770 V781 Q782 S783 W788 V789 V798 V800 | W740-L785 HydrophobicContact CE3-CD2 4.46Å; W740-L785 HydrophobicContact CH2-CD2 3.97Å; W740-L785 HydrophobicContact CZ3-CD1 3.98Å; W740-L785 HydrophobicContact CZ3-CD2 3.41Å; W740-L785 VanDerWaalsContact CZ3-CD2 3.41Å; W740-L785 HydrophobicContact CZ3-CG 4.34Å; A770-L785 HydrophobicContact CB-CD1 3.5Å; A770-L785 VanDerWaalsContact CB-CD1 3.5Å; V781-L785 HydrophobicContact CG1-CD1 3.73Å; V781-L785 HydrophobicContact CG1-CG 4.28Å; V781-L785 WeakPolarHBondContact O-CB 3.09Å; V781-L785 WeakPolarHBondContact O-CG 3.24Å; V781-L785 PolarHBondContact O-N 3.21Å; Q782-L785 PolarHBondContact O-N 3.44Å; S783-L785 VanDerWaalsContact C-N 3.34Å; S783-L785 PolarHBondContact O-N 3.37Å; L785-W788 HydrophobicContact CD2-CE3 4.09Å; L785-W788 PolarHBondContact O-N 3.16Å; L785-V789 WeakPolarHBondContact O-CB 3.33Å; L785-V789 VanDerWaalsContact O-CG2 3.28Å; L785-V789 WeakPolarHBondContact O-CG2 3.26Å; L785-V789 PolarHBondContact O-N 3.1Å; L785-V798 HydrophobicContact CB-CG1 3.81Å; L785-V798 HydrophobicContact CD1-CG1 4.3Å; L785-V800 HydrophobicContact CD1-CG2 4.42Å |
| 786 | E | 88.1 | Confident | 83.1 | Confident | 91 Ų | 91 | 74.8 Ų | 74.8 | 43% | 0.425 | 37% | 0.37 | S | S | . | . | H | α-helix | trans | -61.8 | -44.9 | 173.1 | -74.6 | 175.8 | -174.7 | 0 | 0 | 111 | Q782 S783 W788 V789 Y790 V798 | Q782-E786 HydrophobicContact CG-CG 4.45Å; Q782-E786 WeakPolarHBondContact CG-OE1 3.4Å; Q782-E786 PolarHBondContact NE2-OE1 3.49Å; Q782-E786 WeakPolarHBondContact O-CB 3.21Å; Q782-E786 WeakPolarHBondContact O-CG 3.47Å; Q782-E786 PolarHBondContact O-N 3.19Å; S783-E786 PolarHBondContact O-N 3.43Å; E786-W788 PolarHBondContact O-N 3.34Å; E786-V789 PolarHBondContact O-N 3.34Å; E786-Y790 VanDerWaalsContact O-CB 3.23Å; E786-Y790 WeakPolarHBondContact O-CB 3.26Å; E786-Y790 PolarHBondContact O-N 2.92Å; E786-V798 HydrophobicContact CG-CB 3.96Å; E786-V798 HydrophobicContact CG-CG2 4.28Å |
| 787 | N | 85.1 | Confident | 83.9 | Confident | 84 Ų | 84 | 78.6 Ų | 78.6 | 45% | 0.449 | 38% | 0.384 | S | S | . | . | H | α-helix | trans | -62.5 | -42.2 | 174.7 | -172.6 | 9.9 | 0 | 0 | 0 | 111.6 | S783 Q784 Y790 Q791 | S783-N787 WeakPolarHBondContact O-CB 3.47Å; S783-N787 PolarHBondContact O-N 3.4Å; Q784-N787 PolarHBondContact O-N 3.18Å; N787-Y790 WeakPolarHBondContact O-CB 3.46Å; N787-Y790 PolarHBondContact O-N 3.42Å; N787-Q791 VanDerWaalsContact O-CG 3.28Å; N787-Q791 WeakPolarHBondContact O-CG 3.26Å; N787-Q791 PolarHBondContact O-N 3.13Å; N787-Q791 PolarHBondContact OD1-NE2 3.45Å |
| 788 | W | 79.7 | Confident | 84.3 | Confident | 39 Ų | 39 | 74.9 Ų | 74.9 | 15% | 0.148 | 37% | 0.365 | C | S | . | . | H | α-helix | trans | -62.6 | -50.8 | 177.5 | -175.6 | 60.8 | 0 | 0 | 0 | 111.8 | I749 Q784 L785 E786 Y790 Q791 L792 K838 | I749-W788 HydrophobicContact CD1-CE3 4.2Å; I749-W788 HydrophobicContact CD1-CH2 3.64Å; I749-W788 HydrophobicContact CD1-CZ3 3.27Å; Q784-W788 VanDerWaalsContact O-CB 3.29Å; Q784-W788 WeakPolarHBondContact O-CB 3.42Å; Q784-W788 PolarHBondContact O-N 3.36Å; L785-W788 HydrophobicContact CD2-CE3 4.09Å; L785-W788 PolarHBondContact O-N 3.16Å; E786-W788 PolarHBondContact O-N 3.34Å; W788-Y790 VanDerWaalsContact C-N 3.27Å; W788-Y790 PolarHBondContact O-N 3.41Å; W788-Q791 WeakPolarHBondContact O-CB 3.29Å; W788-Q791 PolarHBondContact O-N 3.48Å; W788-Q791 VanDerWaalsContact O-N 3.12Å; W788-L792 HydrophobicContact CD2-CD1 3.96Å; W788-L792 HydrophobicContact CE3-CD1 4.36Å; W788-L792 HydrophobicContact CG-CD1 4.5Å; W788-L792 HydrophobicContact CH2-CD1 4.29Å; W788-L792 HydrophobicContact CZ2-CD1 3.87Å; W788-L792 VanDerWaalsContact O-CG 3.29Å; W788-L792 WeakPolarHBondContact O-CG 3.47Å; W788-L792 PolarHBondContact O-N 3.15Å; W788-K838 PolarHBondContact NE1-O 3.43Å |
| 789 | V | 83.7 | Confident | 84.6 | Confident | 8 Ų | 8 | 77.9 Ų | 77.9 | 5% | 0.048 | 37% | 0.374 | C | S | . | . | H | α-helix | trans | -59.2 | -39 | 176.5 | 168.8 | 0 | 0 | 0 | 0 | 111.5 | I768 L785 E786 L792 R793 V794 A796 V798 | I768-V789 HydrophobicContact CD1-CG2 3.97Å; L785-V789 WeakPolarHBondContact O-CB 3.33Å; L785-V789 VanDerWaalsContact O-CG2 3.28Å; L785-V789 WeakPolarHBondContact O-CG2 3.26Å; L785-V789 PolarHBondContact O-N 3.1Å; E786-V789 PolarHBondContact O-N 3.34Å; V789-L792 PolarHBondContact O-N 3.25Å; V789-R793 PolarHBondContact O-N 2.91Å; V789-V794 HydrophobicContact CG1-CB 4.14Å; V789-V794 WeakPolarHBondContact CG1-O 3.09Å; V789-V794 PolarHBondContact O-N 3.36Å; V789-V794 VanDerWaalsContact O-N 3.17Å; V789-A796 HydrophobicContact CG1-CB 4.27Å; V789-V798 HydrophobicContact CB-CG2 4.28Å; V789-V798 HydrophobicContact CG2-CG2 3.84Å |
| 790 | Y | 83.6 | Confident | 84.7 | Confident | 187 Ų | 187 | 75.3 Ų | 75.3 | 73% | 0.733 | 35% | 0.351 | S | S | * | . | H | α-helix | trans | -61.8 | -46.6 | 173.8 | 178.7 | -98.3 | 0 | 0 | 0 | 112.2 | E786 N787 W788 L792 R793 | E786-Y790 VanDerWaalsContact O-CB 3.23Å; E786-Y790 WeakPolarHBondContact O-CB 3.26Å; E786-Y790 PolarHBondContact O-N 2.92Å; N787-Y790 WeakPolarHBondContact O-CB 3.46Å; N787-Y790 PolarHBondContact O-N 3.42Å; W788-Y790 VanDerWaalsContact C-N 3.27Å; W788-Y790 PolarHBondContact O-N 3.41Å; Y790-L792 PolarHBondContact O-N 2.81Å; Y790-R793 WeakPolarHBondContact O-CA 3.35Å; Y790-R793 PolarHBondContact O-N 3.12Å |
| 791 | Q | 78.8 | Confident | 84.7 | Confident | 100 Ų | 100 | 71 Ų | 71 | 47% | 0.467 | 33% | 0.332 | S | S | . | . | H | α-helix | trans | -62.4 | -32.8 | 175.9 | -71.8 | 173.9 | 22.3 | 0 | 0 | 112.6 | N787 W788 R793 | N787-Q791 VanDerWaalsContact O-CG 3.28Å; N787-Q791 WeakPolarHBondContact O-CG 3.26Å; N787-Q791 PolarHBondContact O-N 3.13Å; N787-Q791 PolarHBondContact OD1-NE2 3.45Å; W788-Q791 WeakPolarHBondContact O-CB 3.29Å; W788-Q791 PolarHBondContact O-N 3.48Å; W788-Q791 VanDerWaalsContact O-N 3.12Å; Q791-R793 PolarHBondContact O-N 3.44Å |
| 792 | L | 75.1 | Confident | 84.8 | Confident | 20 Ų | 20 | 73.2 Ų | 73.2 | 11% | 0.105 | 35% | 0.345 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -76 | -8.3 | 174.7 | -62 | -179.7 | 0 | 0 | 0 | 113.2 | W788 V789 Y790 V794 F928 | W788-L792 HydrophobicContact CD2-CD1 3.96Å; W788-L792 HydrophobicContact CE3-CD1 4.36Å; W788-L792 HydrophobicContact CG-CD1 4.5Å; W788-L792 HydrophobicContact CH2-CD1 4.29Å; W788-L792 HydrophobicContact CZ2-CD1 3.87Å; W788-L792 VanDerWaalsContact O-CG 3.29Å; W788-L792 WeakPolarHBondContact O-CG 3.47Å; W788-L792 PolarHBondContact O-N 3.15Å; V789-L792 PolarHBondContact O-N 3.25Å; Y790-L792 PolarHBondContact O-N 2.81Å; L792-V794 HydrophobicContact CB-CG2 3.99Å; L792-V794 PolarHBondContact O-N 2.95Å; L792-F928 HydrophobicContact CB-CD2 4.08Å; L792-F928 HydrophobicContact CD1-CD2 3.83Å; L792-F928 HydrophobicContact CD1-CE2 3.46Å; L792-F928 VanDerWaalsContact CD1-CE2 3.46Å; L792-F928 HydrophobicContact CD1-CZ 3.95Å; L792-F928 HydrophobicContact CD2-CD2 3.63Å; L792-F928 HydrophobicContact CD2-CE2 3.59Å; L792-F928 HydrophobicContact CG-CD2 4.02Å; L792-F928 HydrophobicContact CG-CE2 4.01Å |
| 793 | R | 82.3 | Confident | 84.4 | Confident | 229 Ų | 229 | 70.2 Ų | 70.2 | 86% | 0.864 | 33% | 0.331 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 57.7 | 33.8 | -175.3 | -54.9 | -179.7 | 179.4 | 179.4 | -1.6 | 113.2 | V789 Y790 Q791 | V789-R793 PolarHBondContact O-N 2.91Å; Y790-R793 WeakPolarHBondContact O-CA 3.35Å; Y790-R793 PolarHBondContact O-N 3.12Å; Q791-R793 PolarHBondContact O-N 3.44Å |
| 794 | V | 82.1 | Confident | 83.6 | Confident | 16 Ų | 16 | 69.1 Ų | 69.1 | 10% | 0.097 | 32% | 0.324 | C | S | . | . | trans | -96.1 | 120.6 | 177.6 | 175.9 | 0 | 0 | 0 | 0 | 109 | I749 V789 L792 A796 F928 | I749-V794 HydrophobicContact CG2-CG1 4.29Å; I749-V794 HydrophobicContact CG2-CG2 4.23Å; V789-V794 HydrophobicContact CG1-CB 4.14Å; V789-V794 WeakPolarHBondContact CG1-O 3.09Å; V789-V794 PolarHBondContact O-N 3.36Å; V789-V794 VanDerWaalsContact O-N 3.17Å; L792-V794 HydrophobicContact CB-CG2 3.99Å; L792-V794 PolarHBondContact O-N 2.95Å; V794-A796 HydrophobicContact CG1-CB 4.12Å; V794-A796 PolarHBondContact O-N 3.33Å; V794-F928 HydrophobicContact CG2-CB 4Å; V794-F928 HydrophobicContact CG2-CG 4.33Å | ||
| 795 | E | 85.2 | Confident | 82.2 | Confident | 147 Ų | 147 | 69.5 Ų | 69.5 | 69% | 0.687 | 33% | 0.328 | S | S | * | . | trans | -75.8 | 85.5 | 175 | -66.4 | 175.6 | 173 | 0 | 0 | 110.6 | R756 T766 | R756-E795 IonicContact CZ-OE2 3Å; R756-E795 PolarHBondContact NH1-O 2.8Å; R756-E795 IonicContact NH1-OE2 3.83Å; R756-E795 IonicContact NH2-OE2 2.75Å; R756-E795 PolarHBondContact NH2-OE2 2.62Å; T766-E795 PolarHBondContact OG1-O 2.84Å | ||
| 796 | A | 87.6 | Confident | 81 | Confident | 23 Ų | 23 | 72.7 Ų | 72.7 | 19% | 0.19 | 35% | 0.352 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -136.9 | 144.5 | 176.5 | 0 | 0 | 0 | 0 | 0 | 112 | T766 I768 V789 V794 | T766-A796 VanDerWaalsContact O-CA 3.31Å; T766-A796 WeakPolarHBondContact O-CA 3.32Å; I768-A796 HydrophobicContact CD1-CB 3.57Å; I768-A796 HydrophobicContact CG1-CB 3.94Å; V789-A796 HydrophobicContact CG1-CB 4.27Å; V794-A796 HydrophobicContact CG1-CB 4.12Å; V794-A796 PolarHBondContact O-N 3.33Å |
| 797 | K | 90.7 | Very high | 79.5 | Confident | 137 Ų | 137 | 69.6 Ų | 69.6 | 60% | 0.596 | 34% | 0.338 | S | S | * | . | E | Extended strand (participates in β ladder) | trans | -84.3 | 122.2 | 170.7 | -67.7 | -176.2 | 178.1 | -179.9 | 0 | 108.8 | T766 R767 I768 | T766-K797 PolarHBondContact O-N 2.83Å; R767-K797 CarbonylContact C-O 3.1Å; R767-K797 WeakPolarHBondContact CA-O 3.36Å; I768-K797 PolarHBondContact N-O 2.92Å |
| 798 | V | 89.7 | Confident | 78.3 | Confident | 17 Ų | 17 | 66.1 Ų | 66.1 | 10% | 0.103 | 32% | 0.32 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -94.2 | 137.9 | 178 | -176.6 | 0 | 0 | 0 | 0 | 109.3 | I768 L785 E786 V789 | I768-V798 CarbonylContact O-C 3.51Å; I768-V798 WeakPolarHBondContact O-CA 3.3Å; L785-V798 HydrophobicContact CB-CG1 3.81Å; L785-V798 HydrophobicContact CD1-CG1 4.3Å; E786-V798 HydrophobicContact CG-CB 3.96Å; E786-V798 HydrophobicContact CG-CG2 4.28Å; V789-V798 HydrophobicContact CB-CG2 4.28Å; V789-V798 HydrophobicContact CG2-CG2 3.84Å |
| 799 | K | 90.6 | Very high | 77.4 | Confident | 114 Ų | 114 | 69.8 Ų | 69.8 | 50% | 0.496 | 34% | 0.338 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -140.5 | 129.5 | 170.8 | -172.7 | 176.3 | -175.7 | 177.9 | 0 | 109.6 | I768 F769 A770 | I768-K799 PolarHBondContact O-N 3.01Å; F769-K799 VanDerWaalsContact CA-O 3.28Å; F769-K799 WeakPolarHBondContact CA-O 3.43Å; F769-K799 HydrophobicContact CD1-CB 3.92Å; F769-K799 HydrophobicContact CD1-CD 4.34Å; F769-K799 HydrophobicContact CD1-CG 4.45Å; F769-K799 HydrophobicContact CE1-CB 4.03Å; F769-K799 HydrophobicContact CE1-CD 4.02Å; A770-K799 PolarHBondContact N-O 3.04Å |
| 800 | V | 87 | Confident | 76.2 | Confident | 14 Ų | 14 | 71.1 Ų | 71.1 | 9% | 0.085 | 35% | 0.347 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -87.5 | 132.9 | 174.1 | -179.3 | 0 | 0 | 0 | 0 | 109.3 | A770 V772 V778 V781 Q782 L785 | A770-V800 HydrophobicContact CB-CG2 4.48Å; A770-V800 WeakPolarHBondContact O-CA 3.44Å; V772-V800 HydrophobicContact CB-CG1 3.72Å; V772-V800 HydrophobicContact CG1-CG1 4.4Å; V772-V800 HydrophobicContact CG2-CG1 3.49Å; V772-V800 VanDerWaalsContact CG2-CG1 3.49Å; V778-V800 HydrophobicContact CG1-CB 3.92Å; V778-V800 HydrophobicContact CG1-CG1 3.87Å; V781-V800 HydrophobicContact CG1-CG2 4.15Å; Q782-V800 HydrophobicContact CB-CG2 3.74Å; Q782-V800 HydrophobicContact CG-CG2 4.38Å; L785-V800 HydrophobicContact CD1-CG2 4.42Å |
| 801 | V | 86.4 | Confident | 74.9 | Confident | 14 Ų | 14 | 62.7 Ų | 62.7 | 9% | 0.085 | 31% | 0.314 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -119.2 | 119.3 | 179.9 | -175.8 | 0 | 0 | 0 | 0 | 108.2 | W739 F769 A770 V771 V772 I803 V872 I876 | W739-V801 HydrophobicContact CH2-CG1 4.42Å; W739-V801 HydrophobicContact CH2-CG2 4.2Å; W739-V801 HydrophobicContact CZ3-CB 4.37Å; W739-V801 HydrophobicContact CZ3-CG1 4.31Å; W739-V801 HydrophobicContact CZ3-CG2 4.23Å; F769-V801 HydrophobicContact CB-CG2 4.23Å; F769-V801 HydrophobicContact CD1-CG2 4.01Å; A770-V801 PolarHBondContact O-N 3.46Å; V771-V801 WeakPolarHBondContact CA-O 3.33Å; V772-V801 PolarHBondContact N-O 3.49Å; V801-I803 HydrophobicContact CG1-CG1 4.22Å; V801-V872 HydrophobicContact CG1-CG1 3.99Å; V801-I876 HydrophobicContact CG1-CD1 4.47Å; V801-I876 HydrophobicContact CG2-CD1 4.26Å |
| 802 | V | 83.3 | Confident | 74 | Confident | 71 Ų | 71 | 60 Ų | 60 | 43% | 0.43 | 30% | 0.304 | S | S | . | . | E | Extended strand (participates in β ladder) | trans | -84.2 | 124.8 | 177.7 | -176.3 | 0 | 0 | 0 | 0 | 109.5 | V772 P774 V778 | V772-V802 WeakPolarHBondContact O-CA 3.48Å; P774-V802 HydrophobicContact CB-CG1 3.9Å; P774-V802 HydrophobicContact CG-CG1 4.49Å; V778-V802 HydrophobicContact CG2-CG2 3.51Å |
| 803 | I | 77.8 | Confident | 73.1 | Confident | 4 Ų | 4 | 61 Ų | 61 | 2% | 0.021 | 32% | 0.315 | C | S | . | . | trans | -129 | 131.3 | 173.1 | -58.3 | -177.9 | 0 | 0 | 0 | 107.5 | V771 V772 P774 V801 N807 L808 V869 | V771-I803 HydrophobicContact CG1-CB 4.05Å; V771-I803 HydrophobicContact CG1-CD1 3.7Å; V771-I803 HydrophobicContact CG1-CG1 3.93Å; V771-I803 HydrophobicContact CG2-CD1 4.26Å; V772-I803 PolarHBondContact O-N 2.79Å; P774-I803 VanDerWaalsContact CD-O 3.28Å; P774-I803 WeakPolarHBondContact CD-O 3.45Å; V801-I803 HydrophobicContact CG1-CG1 4.22Å; I803-N807 HydrophobicContact CG2-CB 4.29Å; I803-L808 HydrophobicContact CB-CD1 3.87Å; I803-L808 HydrophobicContact CG2-CD1 4.08Å; I803-L808 WeakPolarHBondContact O-CD1 3.45Å; I803-V869 HydrophobicContact CD1-CG2 4.34Å | ||
| 804 | S | 70.8 | Confident | 71.8 | Confident | 54 Ų | 54 | 54 Ų | 54 | 38% | 0.378 | 29% | 0.292 | S | S | . | . | trans | -63.4 | 141.6 | -174.8 | 54.3 | 0 | 0 | 0 | 0 | 113.6 | S806 N807 | S804-S806 VanDerWaalsContact C-N 3.29Å; S804-S806 PolarHBondContact O-N 3.46Å; S804-N807 WeakPolarHBondContact O-CB 3.47Å; S804-N807 PolarHBondContact O-N 3.48Å; S804-N807 PolarHBondContact OG-ND2 3.07Å | ||
| 805 | N | 55.5 | Low | 70.6 | Confident | 71 Ų | 71 | 57.2 Ų | 57.2 | 38% | 0.38 | 30% | 0.303 | S | S | . | . | G | 310 helix | trans | -59.1 | -30.3 | -170.7 | -156.4 | -11.1 | 0 | 0 | 0 | 115 | D773 N807 L808 | D773-N805 WeakPolarHBondContact OD2-CB 3.42Å; D773-N805 PolarHBondContact OD2-ND2 2.94Å; D773-N805 PolarHBondContact OD2-OD1 2.85Å; N805-N807 PolarHBondContact O-N 2.95Å; N805-L808 PolarHBondContact O-N 3.12Å |
| 806 | S | 57.7 | Low | 69.2 | Low | 86 Ų | 86 | 53.4 Ų | 53.4 | 60% | 0.601 | 29% | 0.285 | S | S | * | . | G | 310 helix | trans | -54.9 | -22 | 174.2 | 61.2 | 0 | 0 | 0 | 0 | 112.6 | S804 | S804-S806 VanDerWaalsContact C-N 3.29Å; S804-S806 PolarHBondContact O-N 3.46Å |
| 807 | N | 56.3 | Low | 67.8 | Low | 26 Ų | 26 | 58.7 Ų | 58.7 | 14% | 0.139 | 30% | 0.304 | C | S | . | . | G | 310 helix | trans | -99.8 | -15.6 | -179 | -56.9 | -35 | 0 | 0 | 0 | 113.5 | I803 S804 N805 T865 H868 | I803-N807 HydrophobicContact CG2-CB 4.29Å; S804-N807 WeakPolarHBondContact O-CB 3.47Å; S804-N807 PolarHBondContact O-N 3.48Å; S804-N807 PolarHBondContact OG-ND2 3.07Å; N805-N807 PolarHBondContact O-N 2.95Å; N807-T865 WeakPolarHBondContact CA-OG1 3.36Å; N807-T865 HydrophobicContact CB-CG2 4.26Å; N807-T865 WeakPolarHBondContact O-CG2 3.03Å; N807-T865 PolarHBondContact O-OG1 2.83Å; N807-H868 PolarHBondContact ND2-CD2 2.91Å |
| 808 | L | 61.4 | Low | 66.4 | Low | 12 Ų | 12 | 53.9 Ų | 53.9 | 6% | 0.063 | 29% | 0.286 | C | S | . | . | T | Hydrogen-bonded Turn | trans | -97.4 | -5 | -171.3 | -93.9 | 140.7 | 0 | 0 | 0 | 115.3 | F741 V771 I803 N805 V810 F811 T812 | F741-L808 HydrophobicContact CD1-CD2 4.28Å; V771-L808 HydrophobicContact CG1-CD1 3.87Å; V771-L808 HydrophobicContact CG1-CD2 3.97Å; V771-L808 HydrophobicContact CG1-CG 4.46Å; I803-L808 HydrophobicContact CB-CD1 3.87Å; I803-L808 HydrophobicContact CG2-CD1 4.08Å; I803-L808 WeakPolarHBondContact O-CD1 3.45Å; N805-L808 PolarHBondContact O-N 3.12Å; L808-V810 PolarHBondContact O-N 2.91Å; L808-F811 HydrophobicContact CD2-CB 4.39Å; L808-F811 HydrophobicContact CD2-CD2 4.34Å; L808-F811 PolarHBondContact O-N 2.89Å; L808-T812 HydrophobicContact CB-CG2 4.31Å; L808-T812 PolarHBondContact O-N 3.49Å; L808-T812 VanDerWaalsContact O-N 3.13Å; L808-T812 PolarHBondContact O-OG1 3.28Å |
| 809 | Q | 59.2 | Low | 65 | Low | 115 Ų | 115 | 54.4 Ų | 54.4 | 54% | 0.537 | 29% | 0.288 | S | S | . | . | H | α-helix | trans | -52 | -30.9 | -176.4 | -68.5 | -174.5 | -8.7 | 0 | 0 | 114.1 | F811 T812 A813 | Q809-F811 VanDerWaalsContact C-N 3.27Å; Q809-F811 PolarHBondContact O-N 3.22Å; Q809-T812 WeakPolarHBondContact CA-OG1 3.14Å; Q809-T812 PolarHBondContact O-N 3.24Å; Q809-A813 VanDerWaalsContact O-CB 3.29Å; Q809-A813 WeakPolarHBondContact O-CB 3.18Å; Q809-A813 PolarHBondContact O-N 3.43Å; Q809-A813 VanDerWaalsContact O-N 3.07Å |
| 810 | V | 58.2 | Low | 63.7 | Low | 37 Ų | 37 | 53.4 Ų | 53.4 | 22% | 0.224 | 29% | 0.287 | C | S | . | . | H | α-helix | trans | -63.9 | -32.9 | 177.9 | -162.2 | 0 | 0 | 0 | 0 | 112.5 | L808 Q862 T865 | L808-V810 PolarHBondContact O-N 2.91Å; V810-Q862 HydrophobicContact CG1-CG 4.29Å; V810-Q862 HydrophobicContact CG2-CB 4.14Å; V810-Q862 HydrophobicContact CG2-CG 3.63Å; V810-T865 HydrophobicContact CG2-CG2 4.21Å |
| 811 | F | 57.5 | Low | 62.7 | Low | 10 Ų | 10 | 57.8 Ų | 57.8 | 4% | 0.044 | 31% | 0.307 | C | S | . | . | H | α-helix | trans | -96.5 | -21.9 | -178.8 | -62.4 | -78.2 | 0 | 0 | 0 | 112.5 | F741 Q743 L808 Q809 P888 L907 | F741-F811 HydrophobicContact CB-CB 4.45Å; F741-F811 HydrophobicContact CB-CD1 4.09Å; F741-F811 HydrophobicContact CB-CG 4.23Å; F741-F811 HydrophobicContact CD1-CD2 4.4Å; F741-F811 HydrophobicContact CD1-CE2 4.48Å; F741-F811 HydrophobicContact CG-CD1 4.44Å; Q743-F811 PolarHBondContact NE2-O 3.32Å; L808-F811 HydrophobicContact CD2-CB 4.39Å; L808-F811 HydrophobicContact CD2-CD2 4.34Å; L808-F811 PolarHBondContact O-N 2.89Å; Q809-F811 VanDerWaalsContact C-N 3.27Å; Q809-F811 PolarHBondContact O-N 3.22Å; F811-P888 HydrophobicContact CE1-CB 4.1Å; F811-L907 HydrophobicContact CZ-CD2 4.31Å |
| 812 | T | 59 | Low | 61.6 | Low | 43 Ų | 43 | 59.7 Ų | 59.7 | 26% | 0.264 | 31% | 0.312 | S | S | . | . | H | α-helix | trans | -99.1 | -21.6 | -173.8 | 56.2 | 0 | 0 | 0 | 0 | 114.8 | L808 Q809 E814 R815 | L808-T812 HydrophobicContact CB-CG2 4.31Å; L808-T812 PolarHBondContact O-N 3.49Å; L808-T812 VanDerWaalsContact O-N 3.13Å; L808-T812 PolarHBondContact O-OG1 3.28Å; Q809-T812 WeakPolarHBondContact CA-OG1 3.14Å; Q809-T812 PolarHBondContact O-N 3.24Å; T812-E814 VanDerWaalsContact C-N 3.33Å; T812-E814 PolarHBondContact O-N 3.07Å; T812-E814 VanDerWaalsContact O-N 3.11Å; T812-R815 WeakPolarHBondContact O-CB 3.37Å; T812-R815 PolarHBondContact O-N 3.4Å |
| 813 | A | 55.9 | Low | 60.7 | Low | 41 Ų | 41 | 60.2 Ų | 60.2 | 34% | 0.339 | 31% | 0.309 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -52.1 | -37.2 | -171.8 | 0 | 0 | 0 | 0 | 0 | 116 | Q809 C847 | Q809-A813 VanDerWaalsContact O-CB 3.29Å; Q809-A813 WeakPolarHBondContact O-CB 3.18Å; Q809-A813 PolarHBondContact O-N 3.43Å; Q809-A813 VanDerWaalsContact O-N 3.07Å; A813-C847 VanDerWaalsContact CA-SG 3.59Å; A813-C847 VanDerWaalsContact CB-SG 3.59Å; A813-C847 PolarHBondContact O-SG 3.27Å |
| 814 | E | 56.2 | Low | 60.3 | Low | 82 Ų | 82 | 66.6 Ų | 66.6 | 38% | 0.383 | 34% | 0.336 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -106.8 | 11.7 | -178.5 | -69.9 | -169.4 | 157.7 | 0 | 0 | 114.1 | T812 E816 K817 V818 L889 | T812-E814 VanDerWaalsContact C-N 3.33Å; T812-E814 PolarHBondContact O-N 3.07Å; T812-E814 VanDerWaalsContact O-N 3.11Å; E814-E816 VanDerWaalsContact C-N 3.29Å; E814-E816 PolarHBondContact O-N 2.86Å; E814-K817 PolarHBondContact O-N 3.5Å; E814-V818 PolarHBondContact O-N 3.29Å; E814-L889 WeakPolarHBondContact OE2-CD2 3.21Å |
| 815 | R | 55.6 | Low | 60.1 | Low | 84 Ų | 84 | 67 Ų | 67 | 32% | 0.317 | 33% | 0.334 | S | S | . | . | H | α-helix | trans | -54.7 | -43 | -173.4 | -176.3 | 172.9 | -179.3 | -176.6 | 1 | 112.2 | T812 I819 | T812-R815 WeakPolarHBondContact O-CB 3.37Å; T812-R815 PolarHBondContact O-N 3.4Å; R815-I819 HydrophobicContact CG-CD1 3.49Å; R815-I819 VanDerWaalsContact CG-CD1 3.49Å; R815-I819 WeakPolarHBondContact O-CB 3.21Å; R815-I819 VanDerWaalsContact O-CD1 3.22Å; R815-I819 WeakPolarHBondContact O-CD1 3.28Å; R815-I819 WeakPolarHBondContact O-CG1 3.3Å; R815-I819 PolarHBondContact O-N 2.89Å; R815-I819 VanDerWaalsContact O-N 3.14Å |
| 816 | E | 56.4 | Low | 60.5 | Low | 66 Ų | 66 | 64.6 Ų | 64.6 | 31% | 0.308 | 32% | 0.324 | S | S | . | . | H | α-helix | trans | -68 | -43.3 | -176.1 | -62.6 | -156.1 | 123.5 | 0 | 0 | 113.7 | E814 I819 L820 F844 S845 E846 | E814-E816 VanDerWaalsContact C-N 3.29Å; E814-E816 PolarHBondContact O-N 2.86Å; E816-I819 PolarHBondContact O-N 3.33Å; E816-L820 WeakPolarHBondContact O-CB 3.44Å; E816-L820 PolarHBondContact O-N 3.36Å; E816-F844 WeakPolarHBondContact OE1-CA 3.38Å; E816-F844 PolarHBondContact OE1-N 3.38Å; E816-S845 PolarHBondContact OE1-N 3.21Å; E816-S845 VanDerWaalsContact OE2-C 3.32Å; E816-S845 WeakPolarHBondContact OE2-CA 3.17Å; E816-S845 PolarHBondContact OE2-N 3.07Å; E816-E846 PolarHBondContact OE2-N 3.16Å |
| 817 | K | 58.8 | Low | 61 | Low | 135 Ų | 135 | 66.3 Ų | 66.3 | 59% | 0.587 | 33% | 0.325 | S | S | * | . | H | α-helix | trans | -64.2 | -46.7 | -177.1 | -173 | -178.9 | 175.7 | -174 | 0 | 111.1 | E814 I819 L820 E821 | E814-K817 PolarHBondContact O-N 3.5Å; K817-I819 PolarHBondContact O-N 2.93Å; K817-L820 PolarHBondContact O-N 2.69Å; K817-E821 VanDerWaalsContact CE-OE1 3.31Å; K817-E821 WeakPolarHBondContact CE-OE1 3.23Å; K817-E821 WeakPolarHBondContact O-CG 3.39Å; K817-E821 PolarHBondContact O-N 3.34Å |
| 818 | V | 61.3 | Low | 61.5 | Low | 35 Ų | 35 | 72.9 Ų | 72.9 | 21% | 0.212 | 36% | 0.355 | C | S | . | . | H | α-helix | trans | -64.7 | -40.8 | 179.2 | 178.8 | 0 | 0 | 0 | 0 | 110.9 | E814 E821 R822 | E814-V818 PolarHBondContact O-N 3.29Å; V818-E821 PolarHBondContact O-N 3.14Å; V818-R822 WeakPolarHBondContact O-CB 3.47Å; V818-R822 VanDerWaalsContact O-CG 3.3Å; V818-R822 WeakPolarHBondContact O-CG 3.36Å; V818-R822 PolarHBondContact O-N 3.35Å |
| 819 | I | 60.1 | Low | 61.6 | Low | 29 Ų | 29 | 75.1 Ų | 75.1 | 15% | 0.149 | 37% | 0.367 | C | S | . | . | H | α-helix | trans | -65 | -42.2 | 176.7 | -71.1 | 165.7 | 0 | 0 | 0 | 111.4 | R815 E816 K817 R822 K823 L841 | R815-I819 HydrophobicContact CG-CD1 3.49Å; R815-I819 VanDerWaalsContact CG-CD1 3.49Å; R815-I819 WeakPolarHBondContact O-CB 3.21Å; R815-I819 VanDerWaalsContact O-CD1 3.22Å; R815-I819 WeakPolarHBondContact O-CD1 3.28Å; R815-I819 WeakPolarHBondContact O-CG1 3.3Å; R815-I819 PolarHBondContact O-N 2.89Å; R815-I819 VanDerWaalsContact O-N 3.14Å; E816-I819 PolarHBondContact O-N 3.33Å; K817-I819 PolarHBondContact O-N 2.93Å; I819-R822 PolarHBondContact O-N 3.42Å; I819-K823 HydrophobicContact CG2-CD 4.5Å; I819-K823 PolarHBondContact O-N 3.05Å; I819-L841 HydrophobicContact CB-CD2 4.45Å; I819-L841 HydrophobicContact CD1-CD2 3.74Å; I819-L841 HydrophobicContact CG1-CD2 3.8Å; I819-L841 HydrophobicContact CG2-CD1 3.8Å; I819-L841 HydrophobicContact CG2-CD2 3.77Å; I819-L841 HydrophobicContact CG2-CG 4.33Å |
| 820 | L | 64 | Low | 61.8 | Low | 92 Ų | 92 | 72.9 Ų | 72.9 | 48% | 0.482 | 37% | 0.374 | S | S | . | . | H | α-helix | trans | -64.8 | -42.9 | 179.2 | -168.3 | 106.9 | 0 | 0 | 0 | 111.5 | E816 K817 R822 K823 K824 | E816-L820 WeakPolarHBondContact O-CB 3.44Å; E816-L820 PolarHBondContact O-N 3.36Å; K817-L820 PolarHBondContact O-N 2.69Å; L820-R822 VanDerWaalsContact C-N 3.32Å; L820-K823 PolarHBondContact O-N 3.27Å; L820-K824 HydrophobicContact CD2-CD 4.4Å; L820-K824 WeakPolarHBondContact O-CG 3.3Å; L820-K824 PolarHBondContact O-N 2.85Å |
| 821 | E | 65.2 | Low | 62 | Low | 107 Ų | 107 | 72 Ų | 72 | 50% | 0.5 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -61.3 | -41.5 | 173.8 | -73.4 | 177 | -174.9 | 0 | 0 | 111.3 | K817 V818 K824 L825 | K817-E821 VanDerWaalsContact CE-OE1 3.31Å; K817-E821 WeakPolarHBondContact CE-OE1 3.23Å; K817-E821 WeakPolarHBondContact O-CG 3.39Å; K817-E821 PolarHBondContact O-N 3.34Å; V818-E821 PolarHBondContact O-N 3.14Å; E821-K824 PolarHBondContact O-N 2.85Å; E821-L825 WeakPolarHBondContact O-CB 3.24Å; E821-L825 PolarHBondContact O-N 2.96Å |
| 822 | R | 63.6 | Low | 62.2 | Low | 54 Ų | 54 | 74.9 Ų | 74.9 | 20% | 0.204 | 39% | 0.39 | C | S | . | . | H | α-helix | trans | -64.5 | -41.8 | 174.4 | -75.8 | 178.3 | 177 | 173 | 2.3 | 112.9 | D744 V818 I819 L820 L825 A826 G921 | D744-R822 IonicContact OD1-NH2 2.73Å; D744-R822 PolarHBondContact OD1-NH2 3.01Å; V818-R822 WeakPolarHBondContact O-CB 3.47Å; V818-R822 VanDerWaalsContact O-CG 3.3Å; V818-R822 WeakPolarHBondContact O-CG 3.36Å; V818-R822 PolarHBondContact O-N 3.35Å; I819-R822 PolarHBondContact O-N 3.42Å; L820-R822 VanDerWaalsContact C-N 3.32Å; R822-L825 PolarHBondContact O-N 3.41Å; R822-A826 WeakPolarHBondContact O-CB 3.38Å; R822-A826 PolarHBondContact O-N 2.89Å; R822-G921 WeakPolarHBondContact CG-O 3.46Å; R822-G921 PolarHBondContact NE-O 3.44Å |
| 823 | K | 63.4 | Low | 62.2 | Low | 82 Ų | 82 | 81.2 Ų | 81.2 | 36% | 0.357 | 41% | 0.414 | S | S | . | . | H | α-helix | trans | -61.6 | -44.6 | 174.4 | -77.9 | -175.1 | -178.8 | 179.7 | 0 | 111.3 | I819 L820 L825 A826 I827 L841 H843 | I819-K823 HydrophobicContact CG2-CD 4.5Å; I819-K823 PolarHBondContact O-N 3.05Å; L820-K823 PolarHBondContact O-N 3.27Å; K823-L825 VanDerWaalsContact C-N 3.34Å; K823-L825 PolarHBondContact O-N 3.03Å; K823-A826 PolarHBondContact O-N 3.03Å; K823-I827 WeakPolarHBondContact O-CD1 3.3Å; K823-I827 VanDerWaalsContact O-CG1 3.27Å; K823-I827 WeakPolarHBondContact O-CG1 3.2Å; K823-I827 PolarHBondContact O-N 3.38Å; K823-L841 HydrophobicContact CG-CD1 4.42Å; K823-H843 PolarHBondContact NZ-NE2 2.91Å |
| 824 | K | 69.6 | Low | 62.2 | Low | 137 Ų | 137 | 85.4 Ų | 85.4 | 60% | 0.596 | 43% | 0.426 | S | S | * | . | H | α-helix | trans | -60.1 | -44.2 | 175.5 | -74.3 | 177.1 | 179 | 179.1 | 0 | 111.5 | L820 E821 I827 H828 | L820-K824 HydrophobicContact CD2-CD 4.4Å; L820-K824 WeakPolarHBondContact O-CG 3.3Å; L820-K824 PolarHBondContact O-N 2.85Å; E821-K824 PolarHBondContact O-N 2.85Å; K824-I827 PolarHBondContact O-N 3.22Å; K824-H828 WeakPolarHBondContact O-CB 3.36Å; K824-H828 PolarHBondContact O-N 3.46Å |
| 825 | L | 66.2 | Low | 62.1 | Low | 62 Ų | 62 | 83.5 Ų | 83.5 | 33% | 0.325 | 42% | 0.418 | S | S | . | . | H | α-helix | trans | -63.6 | -45 | 176.7 | -174.8 | 66.2 | 0 | 0 | 0 | 111.8 | E821 R822 K823 I827 H828 L829 | E821-L825 WeakPolarHBondContact O-CB 3.24Å; E821-L825 PolarHBondContact O-N 2.96Å; R822-L825 PolarHBondContact O-N 3.41Å; K823-L825 VanDerWaalsContact C-N 3.34Å; K823-L825 PolarHBondContact O-N 3.03Å; L825-I827 VanDerWaalsContact C-N 3.32Å; L825-I827 PolarHBondContact O-N 3.16Å; L825-H828 PolarHBondContact O-N 3.28Å; L825-L829 HydrophobicContact CD1-CD1 4.18Å; L825-L829 HydrophobicContact CG-CD1 3.89Å; L825-L829 WeakPolarHBondContact O-CD1 3.49Å; L825-L829 VanDerWaalsContact O-CG 3.24Å; L825-L829 WeakPolarHBondContact O-CG 3.35Å; L825-L829 PolarHBondContact O-N 3.37Å |
| 826 | A | 64.1 | Low | 61.8 | Low | 21 Ų | 21 | 83.3 Ų | 83.3 | 17% | 0.174 | 42% | 0.421 | C | S | . | . | H | α-helix | trans | -61 | -39 | 178.7 | 0 | 0 | 0 | 0 | 0 | 112.7 | R822 K823 L831 | R822-A826 WeakPolarHBondContact O-CB 3.38Å; R822-A826 PolarHBondContact O-N 2.89Å; K823-A826 PolarHBondContact O-N 3.03Å; A826-L831 HydrophobicContact CB-CD1 4Å; A826-L831 PolarHBondContact O-N 3.09Å |
| 827 | I | 69.1 | Low | 61.5 | Low | 122 Ų | 122 | 83.4 Ų | 83.4 | 63% | 0.626 | 43% | 0.429 | S | S | * | . | H | α-helix | trans | -67.4 | -45.4 | 174.7 | -67.2 | 164.1 | 0 | 0 | 0 | 110.7 | K823 K824 L825 L829 G830 | K823-I827 WeakPolarHBondContact O-CD1 3.3Å; K823-I827 VanDerWaalsContact O-CG1 3.27Å; K823-I827 WeakPolarHBondContact O-CG1 3.2Å; K823-I827 PolarHBondContact O-N 3.38Å; K824-I827 PolarHBondContact O-N 3.22Å; L825-I827 VanDerWaalsContact C-N 3.32Å; L825-I827 PolarHBondContact O-N 3.16Å; I827-L829 PolarHBondContact O-N 3.23Å; I827-G830 PolarHBondContact O-N 2.95Å; I827-G830 VanDerWaalsContact O-N 3.11Å |
| 828 | H | 67.7 | Low | 61 | Low | 164 Ų | 164 | 79.8 Ų | 79.8 | 76% | 0.759 | 41% | 0.413 | S | S | * | . | H | α-helix | trans | -61 | -29.1 | 179.2 | -167.7 | 65.8 | 0 | 0 | 0 | 112.8 | K824 L825 | K824-H828 WeakPolarHBondContact O-CB 3.36Å; K824-H828 PolarHBondContact O-N 3.46Å; L825-H828 PolarHBondContact O-N 3.28Å |
| 829 | L | 62 | Low | 60.2 | Low | 60 Ų | 60 | 82.4 Ų | 82.4 | 31% | 0.314 | 42% | 0.423 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -87.1 | 1.8 | 179.7 | -66.6 | 167.7 | 0 | 0 | 0 | 114.3 | P575 L825 I827 L831 | P575-L829 HydrophobicContact CG-CD1 3.37Å; L825-L829 HydrophobicContact CD1-CD1 4.18Å; L825-L829 HydrophobicContact CG-CD1 3.89Å; L825-L829 WeakPolarHBondContact O-CD1 3.49Å; L825-L829 VanDerWaalsContact O-CG 3.24Å; L825-L829 WeakPolarHBondContact O-CG 3.35Å; L825-L829 PolarHBondContact O-N 3.37Å; I827-L829 PolarHBondContact O-N 3.23Å; L829-L831 VanDerWaalsContact C-N 3.3Å; L829-L831 HydrophobicContact CB-CG 4.26Å; L829-L831 PolarHBondContact O-N 3.34Å |
| 830 | G | 64.3 | Low | 59.5 | Low | 68 Ų | 68 | 87.7 Ų | 87.7 | 70% | 0.701 | 45% | 0.447 | S | S | * | . | T | Hydrogen-bonded Turn | trans | 66.2 | 27.2 | 176.6 | 0 | 0 | 0 | 0 | 0 | 114.5 | I827 S832 | I827-G830 PolarHBondContact O-N 2.95Å; I827-G830 VanDerWaalsContact O-N 3.11Å; G830-S832 PolarHBondContact O-N 2.92Å |
| 831 | L | 62.5 | Low | 58.3 | Low | 17 Ų | 17 | 86.7 Ų | 86.7 | 9% | 0.089 | 44% | 0.442 | C | S | . | . | trans | -66 | 128.7 | -179.9 | -66.7 | 179.7 | 0 | 0 | 0 | 111.2 | K576 A826 L829 Q836 | K576-L831 HydrophobicContact CD-CD2 4.03Å; K576-L831 HydrophobicContact CG-CD2 4.29Å; A826-L831 HydrophobicContact CB-CD1 4Å; A826-L831 PolarHBondContact O-N 3.09Å; L829-L831 VanDerWaalsContact C-N 3.3Å; L829-L831 HydrophobicContact CB-CG 4.26Å; L829-L831 PolarHBondContact O-N 3.34Å; L831-Q836 HydrophobicContact CB-CG 4.31Å; L831-Q836 PolarHBondContact O-NE2 3.06Å | ||
| 832 | S | 61.9 | Low | 56.8 | Low | 72 Ų | 72 | 87 Ų | 87 | 50% | 0.503 | 45% | 0.446 | S | S | . | . | trans | -59.7 | 148.5 | 177.1 | 179 | 0 | 0 | 0 | 0 | 111.4 | G830 H834 D835 Q836 | G830-S832 PolarHBondContact O-N 2.92Å; S832-H834 PolarHBondContact O-N 2.88Å; S832-H834 VanDerWaalsContact O-N 3.09Å; S832-D835 WeakPolarHBondContact O-CA 3.4Å; S832-D835 PolarHBondContact O-N 2.95Å; S832-Q836 WeakPolarHBondContact O-CG 3.37Å; S832-Q836 PolarHBondContact O-N 3.12Å | ||
| 833 | K | 58.3 | Low | 55.1 | Low | 175 Ų | 175 | 90.8 Ų | 90.8 | 76% | 0.761 | 47% | 0.466 | S | S | * | . | H | α-helix | trans | -53.6 | -31.2 | 176.7 | -72.3 | -175.2 | 176.7 | -178.8 | 0 | 113 | D835 Q836 S837 | K833-D835 VanDerWaalsContact C-N 3.35Å; K833-Q836 PolarHBondContact O-N 2.81Å; K833-S837 WeakPolarHBondContact O-CB 3.33Å; K833-S837 PolarHBondContact O-N 3.35Å; K833-S837 PolarHBondContact O-OG 2.92Å |
| 834 | H | 56.9 | Low | 53.5 | Low | 129 Ų | 129 | 96.2 Ų | 96.2 | 60% | 0.597 | 49% | 0.49 | S | S | * | . | H | α-helix | trans | -69.8 | -28.4 | 175.8 | -171.8 | -62.4 | 0 | 0 | 0 | 113.2 | S832 S837 | S832-H834 PolarHBondContact O-N 2.88Å; S832-H834 VanDerWaalsContact O-N 3.09Å; H834-S837 WeakPolarHBondContact CA-OG 3.48Å; H834-S837 PolarHBondContact O-OG 2.79Å |
| 835 | D | 52.2 | Low | 51.5 | Low | 42 Ų | 42 | 94.3 Ų | 94.3 | 23% | 0.225 | 49% | 0.494 | C | S | . | . | H | α-helix | trans | -83.5 | -31.1 | 173.9 | -70.7 | -37.3 | 0 | 0 | 0 | 111.2 | K576 S832 K833 K838 | K576-D835 WeakPolarHBondContact CE-OD2 3.34Å; K576-D835 IonicContact NZ-OD2 3.87Å; K576-D835 PolarHBondContact NZ-OD2 2.74Å; S832-D835 WeakPolarHBondContact O-CA 3.4Å; S832-D835 PolarHBondContact O-N 2.95Å; K833-D835 VanDerWaalsContact C-N 3.35Å; D835-K838 PolarHBondContact O-N 3.28Å |
| 836 | Q | 50.9 | Low | 49.7 | Very low | 81 Ų | 81 | 99.6 Ų | 99.6 | 38% | 0.379 | 52% | 0.517 | S | S | . | . | H | α-helix | trans | -67.3 | -36.5 | 173.4 | -63.6 | 175.9 | 6.2 | 0 | 0 | 111.8 | L831 S832 K833 K838 E839 | L831-Q836 HydrophobicContact CB-CG 4.31Å; L831-Q836 PolarHBondContact O-NE2 3.06Å; S832-Q836 WeakPolarHBondContact O-CG 3.37Å; S832-Q836 PolarHBondContact O-N 3.12Å; K833-Q836 PolarHBondContact O-N 2.81Å; Q836-K838 PolarHBondContact O-N 3.03Å; Q836-E839 PolarHBondContact O-N 2.96Å |
| 837 | S | 48.8 | Very low | 48 | Very low | 67 Ų | 67 | 102 Ų | 102 | 47% | 0.469 | 53% | 0.531 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -69.4 | -11.6 | 179.8 | 60.5 | 0 | 0 | 0 | 0 | 114.1 | K833 H834 E839 | K833-S837 WeakPolarHBondContact O-CB 3.33Å; K833-S837 PolarHBondContact O-N 3.35Å; K833-S837 PolarHBondContact O-OG 2.92Å; H834-S837 WeakPolarHBondContact CA-OG 3.48Å; H834-S837 PolarHBondContact O-OG 2.79Å; S837-E839 PolarHBondContact O-N 3.07Å |
| 838 | K | 48.8 | Very low | 46.2 | Very low | 60 Ų | 60 | 102 Ų | 102 | 26% | 0.261 | 54% | 0.539 | S | S | . | . | T | Hydrogen-bonded Turn | trans | -75.9 | -6.6 | 173.7 | -70 | -178.1 | 176.9 | 177.1 | 0 | 113.2 | W788 D835 Q836 | W788-K838 PolarHBondContact NE1-O 3.43Å; D835-K838 PolarHBondContact O-N 3.28Å; Q836-K838 PolarHBondContact O-N 3.03Å |
| 839 | E | 44.8 | Very low | 44.7 | Very low | 89 Ų | 89 | 102 Ų | 102 | 42% | 0.416 | 54% | 0.537 | S | S | . | . | S | Bend | trans | -117.6 | 97.7 | 171.3 | -72.5 | -174.3 | 158.9 | 0 | 0 | 109.3 | Q836 S837 | Q836-E839 PolarHBondContact O-N 2.96Å; S837-E839 PolarHBondContact O-N 3.07Å |
| 840 | H | 44.4 | Very low | 43.2 | Very low | 141 Ų | 141 | 108.8 Ų | 108.8 | 65% | 0.653 | 56% | 0.564 | S | S | * | * | trans | -74 | 130.6 | 176.4 | -84.2 | -92.4 | 0 | 0 | 0 | 111.2 | ||||
| 841 | L | 40.2 | Very low | 42 | Very low | 71 Ų | 71 | 108.3 Ų | 108.3 | 37% | 0.372 | 56% | 0.559 | S | S | . | * | trans | -131.9 | 115.6 | -174.8 | -68.6 | 165.7 | 0 | 0 | 0 | 110.6 | I819 K823 | I819-L841 HydrophobicContact CB-CD2 4.45Å; I819-L841 HydrophobicContact CD1-CD2 3.74Å; I819-L841 HydrophobicContact CG1-CD2 3.8Å; I819-L841 HydrophobicContact CG2-CD1 3.8Å; I819-L841 HydrophobicContact CG2-CD2 3.77Å; I819-L841 HydrophobicContact CG2-CG 4.33Å; K823-L841 HydrophobicContact CG-CD1 4.42Å | ||
| 842 | L | 33.7 | Very low | 41.1 | Very low | 113 Ų | 113 | 115.6 Ų | 115.6 | 59% | 0.592 | 59% | 0.593 | S | S | * | * | trans | -94.8 | 136.9 | 166.8 | -70.8 | 163.5 | 0 | 0 | 0 | 109.7 | ||||
| 843 | H | 28.4 | Very low | 40.4 | Very low | 133 Ų | 133 | 120.7 Ų | 120.7 | 62% | 0.616 | 61% | 0.609 | S | S | * | * | trans | -84.5 | 157.1 | -175.3 | -99 | -86.4 | 0 | 0 | 0 | 112.7 | K823 | K823-H843 PolarHBondContact NZ-NE2 2.91Š| ||
| 844 | F | 29.2 | Very low | 40.3 | Very low | 196 Ų | 196 | 116.3 Ų | 116.3 | 86% | 0.86 | 59% | 0.594 | S | S | * | * | trans | 162.3 | 121.6 | 141.1 | -83.1 | -63.6 | 0 | 0 | 0 | 115.1 | E816 | E816-F844 WeakPolarHBondContact OE1-CA 3.38Å; E816-F844 PolarHBondContact OE1-N 3.38Å | ||
| 845 | S | 28.1 | Very low | 40.2 | Very low | 97 Ų | 97 | 113 Ų | 113 | 68% | 0.678 | 58% | 0.579 | S | S | * | * | trans | 42.1 | 115 | 151.6 | -163.5 | 0 | 0 | 0 | 0 | 125.5 | E816 | E816-S845 PolarHBondContact OE1-N 3.21Å; E816-S845 VanDerWaalsContact OE2-C 3.32Å; E816-S845 WeakPolarHBondContact OE2-CA 3.17Å; E816-S845 PolarHBondContact OE2-N 3.07Å | ||
| 846 | E | 27.1 | Very low | 40.4 | Very low | 174 Ų | 174 | 118.7 Ų | 118.7 | 81% | 0.813 | 60% | 0.598 | S | S | * | * | trans | 14.4 | 129.5 | 143.8 | -68 | -176.3 | 165.7 | 0 | 0 | 122.2 | E816 | E816-E846 PolarHBondContact OE2-N 3.16Š| ||
| 847 | C | 28.1 | Very low | 41 | Very low | 70 Ų | 70 | 119.8 Ų | 119.8 | 47% | 0.473 | 61% | 0.606 | S | S | . | * | trans | -93 | 139 | 174.2 | -92.1 | 0 | 0 | 0 | 0 | 114.3 | A813 | A813-C847 VanDerWaalsContact CA-SG 3.59Å; A813-C847 VanDerWaalsContact CB-SG 3.59Å; A813-C847 PolarHBondContact O-SG 3.27Å | ||
| 848 | P | 31.6 | Very low | 41.8 | Very low | 122 Ų | 122 | 118.9 Ų | 118.9 | 79% | 0.792 | 60% | 0.596 | S | S | * | * | trans | -103.9 | 120.8 | 164 | 34.6 | -22.6 | 0 | 0 | 0 | 111.3 | ||||
| 849 | F | 37.3 | Very low | 42.6 | Very low | 164 Ų | 164 | 116.6 Ų | 116.6 | 72% | 0.719 | 59% | 0.589 | S | S | * | * | trans | -122 | 110.3 | 163 | -83.3 | -83.4 | 0 | 0 | 0 | 108.9 | ||||
| 850 | K | 30.3 | Very low | 43.8 | Very low | 203 Ų | 203 | 115.6 Ų | 115.6 | 88% | 0.883 | 59% | 0.589 | S | S | * | * | trans | -149 | 108.4 | 165.7 | -86.8 | -171.4 | 177 | 179.2 | 0 | 109.3 | ||||
| 851 | G | 38.7 | Very low | 45.1 | Very low | 58 Ų | 58 | 116.2 Ų | 116.2 | 60% | 0.598 | 59% | 0.585 | S | S | * | * | trans | 139.5 | 137.7 | 167.3 | 0 | 0 | 0 | 0 | 0 | 115 | ||||
| 852 | E | 44.1 | Very low | 46.5 | Very low | 171 Ų | 171 | 116.2 Ų | 116.2 | 80% | 0.799 | 58% | 0.583 | S | S | * | * | S | Bend | trans | -83.4 | -29.3 | -178.6 | -143.5 | 167.8 | -159.3 | 0 | 0 | 112.3 | D854 M855 | E852-D854 VanDerWaalsContact C-N 3.33Å; E852-D854 PolarHBondContact O-N 3.1Å; E852-M855 VanDerWaalsContact O-CB 3.24Å; E852-M855 WeakPolarHBondContact O-CB 3.35Å; E852-M855 PolarHBondContact O-N 3.27Å |
| 853 | E | 47.3 | Very low | 48.5 | Very low | 179 Ų | 179 | 113.7 Ų | 113.7 | 84% | 0.836 | 57% | 0.569 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -70.7 | -24.7 | 174.9 | -80.3 | -176.3 | 147.3 | 0 | 0 | 113.5 | M855 | E853-M855 PolarHBondContact O-N 2.63Š|
| 854 | D | 55.7 | Low | 50.9 | Low | 82 Ų | 82 | 115.5 Ų | 115.5 | 44% | 0.439 | 57% | 0.571 | S | S | . | * | H | α-helix | trans | -72.1 | -14.7 | 176.8 | -73.2 | -33.2 | 0 | 0 | 0 | 112.8 | E852 N858 | E852-D854 VanDerWaalsContact C-N 3.33Å; E852-D854 PolarHBondContact O-N 3.1Å; D854-N858 WeakPolarHBondContact O-CB 3.48Å; D854-N858 PolarHBondContact O-N 3.36Å; D854-N858 PolarHBondContact O-ND2 2.89Å |
| 855 | M | 54.2 | Low | 53.3 | Low | 59 Ų | 59 | 106.4 Ų | 106.4 | 29% | 0.291 | 53% | 0.531 | S | S | . | . | H | α-helix | trans | -66.2 | -46.1 | -170.1 | -167.3 | 175.2 | 68.6 | 0 | 0 | 113.1 | E852 E853 N858 A859 L896 | E852-M855 VanDerWaalsContact O-CB 3.24Å; E852-M855 WeakPolarHBondContact O-CB 3.35Å; E852-M855 PolarHBondContact O-N 3.27Å; E853-M855 PolarHBondContact O-N 2.63Å; M855-N858 PolarHBondContact O-N 3.01Å; M855-A859 WeakPolarHBondContact O-CB 3.14Å; M855-A859 PolarHBondContact O-N 2.95Å; M855-L896 HydrophobicContact CE-CD2 4.19Å; M855-L896 HydrophobicContact CG-CD1 4.34Å; M855-L896 HydrophobicContact CG-CD2 3.93Å; M855-L896 HydrophobicContact SD-CD1 3.96Å; M855-L896 HydrophobicContact SD-CD2 3.7Å; M855-L896 HydrophobicContact SD-CG 4.08Å |
| 856 | W | 57.1 | Low | 55.8 | Low | 162 Ų | 162 | 101.8 Ų | 101.8 | 61% | 0.614 | 50% | 0.499 | S | S | * | . | H | α-helix | trans | -75.1 | -37.9 | -179.8 | -68.7 | 108.1 | 0 | 0 | 0 | 112.9 | N858 A859 T860 V899 | W856-N858 PolarHBondContact O-N 3.36Å; W856-A859 PolarHBondContact O-N 3.38Å; W856-T860 PolarHBondContact O-N 3.17Å; W856-T860 PolarHBondContact O-OG1 3.39Å; W856-V899 HydrophobicContact CH2-CG2 4.45Å; W856-V899 HydrophobicContact CZ3-CG2 4.08Å |
| 857 | N | 64.3 | Low | 58.6 | Low | 104 Ų | 104 | 97.3 Ų | 97.3 | 56% | 0.556 | 48% | 0.48 | S | S | * | . | H | α-helix | trans | -60.3 | -40.3 | 173.3 | -75.8 | -28.1 | 0 | 0 | 0 | 110.6 | R861 | N857-R861 WeakPolarHBondContact O-CG 3.47Å; N857-R861 PolarHBondContact O-N 3.5Å; N857-R861 VanDerWaalsContact O-N 3.11Å |
| 858 | N | 64.5 | Low | 61.4 | Low | 48 Ų | 48 | 97.2 Ų | 97.2 | 26% | 0.257 | 47% | 0.473 | S | S | . | . | H | α-helix | trans | -70.1 | -43.1 | 175.3 | -71 | -26 | 0 | 0 | 0 | 112.4 | D854 M855 W856 T860 R861 Q862 | D854-N858 WeakPolarHBondContact O-CB 3.48Å; D854-N858 PolarHBondContact O-N 3.36Å; D854-N858 PolarHBondContact O-ND2 2.89Å; M855-N858 PolarHBondContact O-N 3.01Å; W856-N858 PolarHBondContact O-N 3.36Å; N858-T860 VanDerWaalsContact C-N 3.3Å; N858-T860 PolarHBondContact O-N 2.86Å; N858-R861 WeakPolarHBondContact O-CB 3.37Å; N858-R861 PolarHBondContact O-N 3.46Å; N858-Q862 WeakPolarHBondContact O-CB 3.42Å; N858-Q862 WeakPolarHBondContact O-CG 3.27Å; N858-Q862 PolarHBondContact O-N 3.29Å |
| 859 | A | 65.8 | Low | 64 | Low | 13 Ų | 13 | 91.4 Ų | 91.4 | 11% | 0.107 | 44% | 0.435 | C | S | . | . | H | α-helix | trans | -57.5 | -42.4 | 174.4 | 0 | 0 | 0 | 0 | 0 | 112.3 | M855 W856 R861 Q862 M863 V899 | M855-A859 WeakPolarHBondContact O-CB 3.14Å; M855-A859 PolarHBondContact O-N 2.95Å; W856-A859 PolarHBondContact O-N 3.38Å; A859-R861 PolarHBondContact O-N 3.47Å; A859-Q862 WeakPolarHBondContact O-CB 2.99Å; A859-Q862 PolarHBondContact O-N 3.41Å; A859-M863 WeakPolarHBondContact O-CB 3.43Å; A859-M863 PolarHBondContact O-N 2.82Å; A859-V899 HydrophobicContact CB-CG1 3.72Å |
| 860 | T | 70.4 | Confident | 66.5 | Low | 68 Ų | 68 | 83.9 Ų | 83.9 | 42% | 0.417 | 40% | 0.402 | S | S | . | . | H | α-helix | trans | -65.3 | -40.7 | 178 | -47.5 | 0 | 0 | 0 | 0 | 111.5 | W856 N858 M863 R864 | W856-T860 PolarHBondContact O-N 3.17Å; W856-T860 PolarHBondContact O-OG1 3.39Å; N858-T860 VanDerWaalsContact C-N 3.3Å; N858-T860 PolarHBondContact O-N 2.86Å; T860-M863 PolarHBondContact O-N 2.96Å; T860-R864 WeakPolarHBondContact O-CG 3.47Å; T860-R864 PolarHBondContact O-N 2.67Å |
| 861 | R | 70.6 | Confident | 69.3 | Low | 154 Ų | 154 | 80 Ų | 80 | 58% | 0.581 | 39% | 0.387 | S | S | * | . | H | α-helix | trans | -61.5 | -48.5 | 172.7 | -73.8 | 174.4 | 179.3 | -173.4 | 1 | 111.1 | N857 N858 A859 M863 R864 T865 | N857-R861 WeakPolarHBondContact O-CG 3.47Å; N857-R861 PolarHBondContact O-N 3.5Å; N857-R861 VanDerWaalsContact O-N 3.11Å; N858-R861 WeakPolarHBondContact O-CB 3.37Å; N858-R861 PolarHBondContact O-N 3.46Å; A859-R861 PolarHBondContact O-N 3.47Å; R861-M863 VanDerWaalsContact C-N 3.26Å; R861-M863 PolarHBondContact O-N 3.28Å; R861-R864 PolarHBondContact O-N 2.95Å; R861-T865 PolarHBondContact O-N 2.99Å; R861-T865 PolarHBondContact O-OG1 3.39Å; R861-T865 VanDerWaalsContact O-OG1 3.12Å |
| 862 | Q | 69.3 | Low | 71.6 | Confident | 70 Ų | 70 | 78.8 Ų | 78.8 | 33% | 0.327 | 37% | 0.368 | S | S | . | . | H | α-helix | trans | -57.6 | -37.7 | 177.1 | -70.2 | 177 | -3.6 | 0 | 0 | 112.2 | V810 N858 A859 T865 A866 H903 | V810-Q862 HydrophobicContact CG1-CG 4.29Å; V810-Q862 HydrophobicContact CG2-CB 4.14Å; V810-Q862 HydrophobicContact CG2-CG 3.63Å; N858-Q862 WeakPolarHBondContact O-CB 3.42Å; N858-Q862 WeakPolarHBondContact O-CG 3.27Å; N858-Q862 PolarHBondContact O-N 3.29Å; A859-Q862 WeakPolarHBondContact O-CB 2.99Å; A859-Q862 PolarHBondContact O-N 3.41Å; Q862-T865 WeakPolarHBondContact O-CB 3.31Å; Q862-A866 PolarHBondContact O-N 2.6Å; Q862-H903 PolarHBondContact O-CE1 3.13Å; Q862-H903 PolarHBondContact O-ND1 3.2Å |
| 863 | M | 75.9 | Confident | 73.8 | Confident | 61 Ų | 61 | 70.6 Ų | 70.6 | 30% | 0.3 | 33% | 0.33 | S | S | . | . | H | α-helix | trans | -72.8 | -41.3 | 178.5 | -165.5 | 160.5 | -177.4 | 0 | 0 | 112.5 | A859 T860 R861 T865 A866 L867 E902 A906 | A859-M863 WeakPolarHBondContact O-CB 3.43Å; A859-M863 PolarHBondContact O-N 2.82Å; T860-M863 PolarHBondContact O-N 2.96Å; R861-M863 VanDerWaalsContact C-N 3.26Å; R861-M863 PolarHBondContact O-N 3.28Å; M863-T865 VanDerWaalsContact C-N 3.3Å; M863-T865 PolarHBondContact O-N 3.21Å; M863-A866 PolarHBondContact O-N 3.23Å; M863-L867 WeakPolarHBondContact O-CG 3.17Å; M863-L867 PolarHBondContact O-N 3.09Å; M863-E902 HydrophobicContact CE-CG 3.66Å; M863-E902 WeakPolarHBondContact CE-OE1 3.4Å; M863-E902 HydrophobicContact SD-CG 4.26Å; M863-A906 HydrophobicContact CE-CB 4.33Å |
| 864 | R | 80.4 | Confident | 75.9 | Confident | 171 Ų | 171 | 66.7 Ų | 66.7 | 65% | 0.645 | 31% | 0.307 | S | S | * | . | H | α-helix | trans | -59.7 | -42.6 | 173.3 | -72 | 178.3 | -170.9 | 167.2 | 4.4 | 111.6 | T860 R861 L867 H868 | T860-R864 WeakPolarHBondContact O-CG 3.47Å; T860-R864 PolarHBondContact O-N 2.67Å; R861-R864 PolarHBondContact O-N 2.95Å; R864-L867 PolarHBondContact O-N 2.82Å; R864-H868 WeakPolarHBondContact O-CB 3.15Å; R864-H868 PolarHBondContact O-N 3.3Å |
| 865 | T | 77.7 | Confident | 77.5 | Confident | 4 Ų | 4 | 71.4 Ų | 71.4 | 3% | 0.025 | 32% | 0.324 | C | S | . | . | H | α-helix | trans | -54.2 | -54.4 | 170.6 | -69.4 | 0 | 0 | 0 | 0 | 111.8 | N807 V810 R861 Q862 M863 L867 H868 V869 | N807-T865 WeakPolarHBondContact CA-OG1 3.36Å; N807-T865 HydrophobicContact CB-CG2 4.26Å; N807-T865 WeakPolarHBondContact O-CG2 3.03Å; N807-T865 PolarHBondContact O-OG1 2.83Å; V810-T865 HydrophobicContact CG2-CG2 4.21Å; R861-T865 PolarHBondContact O-N 2.99Å; R861-T865 PolarHBondContact O-OG1 3.39Å; R861-T865 VanDerWaalsContact O-OG1 3.12Å; Q862-T865 WeakPolarHBondContact O-CB 3.31Å; M863-T865 VanDerWaalsContact C-N 3.3Å; M863-T865 PolarHBondContact O-N 3.21Å; T865-L867 VanDerWaalsContact C-N 3.3Å; T865-L867 PolarHBondContact O-N 2.86Å; T865-H868 PolarHBondContact O-N 2.89Å; T865-H868 VanDerWaalsContact O-N 3.14Å; T865-V869 HydrophobicContact CG2-CG2 4.26Å; T865-V869 WeakPolarHBondContact O-CG2 3.47Å; T865-V869 PolarHBondContact O-N 3.08Å |
| 866 | A | 82.2 | Confident | 79.2 | Confident | 1 Ų | 1 | 70.7 Ų | 70.7 | 1% | 0.008 | 32% | 0.321 | C | S | . | . | H | α-helix | trans | -59.4 | -42.9 | -176.4 | 0 | 0 | 0 | 0 | 0 | 111.6 | Q862 M863 V869 N870 A906 L907 | Q862-A866 PolarHBondContact O-N 2.6Å; M863-A866 PolarHBondContact O-N 3.23Å; A866-V869 PolarHBondContact O-N 2.88Å; A866-N870 VanDerWaalsContact O-CB 3.23Å; A866-N870 WeakPolarHBondContact O-CB 3.22Å; A866-N870 PolarHBondContact O-N 2.84Å; A866-A906 HydrophobicContact CB-CB 4.16Å; A866-L907 HydrophobicContact CB-CB 4.16Å |
| 867 | L | 86 | Confident | 80.7 | Confident | 79 Ų | 79 | 63 Ų | 63 | 41% | 0.414 | 29% | 0.292 | S | S | . | . | H | α-helix | trans | -62.2 | -43.6 | 176 | -70.3 | 171.8 | 0 | 0 | 0 | 112 | M863 R864 T865 N870 Q871 A906 | M863-L867 WeakPolarHBondContact O-CG 3.17Å; M863-L867 PolarHBondContact O-N 3.09Å; R864-L867 PolarHBondContact O-N 2.82Å; T865-L867 VanDerWaalsContact C-N 3.3Å; T865-L867 PolarHBondContact O-N 2.86Å; L867-N870 PolarHBondContact O-N 3.49Å; L867-Q871 VanDerWaalsContact O-CG 3.27Å; L867-Q871 WeakPolarHBondContact O-CG 3.17Å; L867-Q871 PolarHBondContact O-N 3.22Å; L867-A906 HydrophobicContact CD2-CB 4.06Å; L867-A906 HydrophobicContact CG-CB 4.38Å |
| 868 | H | 85.4 | Confident | 81.7 | Confident | 69 Ų | 69 | 62.2 Ų | 62.2 | 32% | 0.319 | 30% | 0.295 | S | S | . | . | H | α-helix | trans | -65.7 | -46.8 | 178.5 | -175.5 | 65.1 | 0 | 0 | 0 | 111.9 | N807 R864 T865 N870 Q871 V872 | N807-H868 PolarHBondContact ND2-CD2 2.91Å; R864-H868 WeakPolarHBondContact O-CB 3.15Å; R864-H868 PolarHBondContact O-N 3.3Å; T865-H868 PolarHBondContact O-N 2.89Å; T865-H868 VanDerWaalsContact O-N 3.14Å; H868-N870 VanDerWaalsContact C-N 3.31Å; H868-N870 PolarHBondContact O-N 3.46Å; H868-Q871 WeakPolarHBondContact O-CB 3.43Å; H868-Q871 PolarHBondContact O-N 3.39Å; H868-V872 WeakPolarHBondContact O-CG2 3.31Å; H868-V872 PolarHBondContact O-N 3.4Å; H868-V872 VanDerWaalsContact O-N 3.1Å |
| 869 | V | 86 | Confident | 82.7 | Confident | 0 Ų | 0 | 66.1 Ų | 66.1 | 0% | 0 | 32% | 0.315 | C | S | . | . | H | α-helix | trans | -60 | -44.3 | 176.1 | 173.3 | 0 | 0 | 0 | 0 | 110.2 | F741 I803 T865 A866 Q871 V872 I873 L907 | F741-V869 HydrophobicContact CE1-CG1 3.84Å; F741-V869 HydrophobicContact CZ-CG1 3.64Å; I803-V869 HydrophobicContact CD1-CG2 4.34Å; T865-V869 HydrophobicContact CG2-CG2 4.26Å; T865-V869 WeakPolarHBondContact O-CG2 3.47Å; T865-V869 PolarHBondContact O-N 3.08Å; A866-V869 PolarHBondContact O-N 2.88Å; V869-Q871 PolarHBondContact O-N 3.22Å; V869-V872 WeakPolarHBondContact O-CB 3.39Å; V869-V872 PolarHBondContact O-N 3.32Å; V869-V872 VanDerWaalsContact O-N 3.15Å; V869-I873 HydrophobicContact CG1-CD1 3.74Å; V869-I873 HydrophobicContact CG1-CG1 4.26Å; V869-I873 VanDerWaalsContact O-CG1 3.3Å; V869-I873 WeakPolarHBondContact O-CG1 3.22Å; V869-I873 PolarHBondContact O-N 3.33Å; V869-L907 HydrophobicContact CB-CD1 3.91Å; V869-L907 HydrophobicContact CG1-CD1 3.58Å |
| 870 | N | 89.7 | Confident | 83.8 | Confident | 5 Ų | 5 | 65.8 Ų | 65.8 | 3% | 0.027 | 31% | 0.311 | C | S | . | . | H | α-helix | trans | -62.1 | -41.1 | 176.3 | -171.7 | 10.9 | 0 | 0 | 0 | 112.3 | A866 L867 H868 V872 I873 R874 A906 L907 D909 | A866-N870 VanDerWaalsContact O-CB 3.23Å; A866-N870 WeakPolarHBondContact O-CB 3.22Å; A866-N870 PolarHBondContact O-N 2.84Å; L867-N870 PolarHBondContact O-N 3.49Å; H868-N870 VanDerWaalsContact C-N 3.31Å; H868-N870 PolarHBondContact O-N 3.46Å; N870-V872 VanDerWaalsContact C-N 3.27Å; N870-V872 PolarHBondContact O-N 3.32Å; N870-I873 PolarHBondContact O-N 2.91Å; N870-R874 WeakPolarHBondContact O-CB 3.12Å; N870-R874 VanDerWaalsContact O-CG 3.28Å; N870-R874 WeakPolarHBondContact O-CG 3.36Å; N870-R874 PolarHBondContact O-N 2.98Å; N870-R874 WeakPolarHBondContact OD1-CD 3.44Å; N870-R874 VanDerWaalsContact OD1-CG 3.32Å; N870-R874 WeakPolarHBondContact OD1-CG 3.45Å; N870-A906 WeakPolarHBondContact CB-O 3.42Å; N870-A906 PolarHBondContact ND2-O 2.91Å; N870-L907 WeakPolarHBondContact CB-O 3.18Å; N870-L907 PolarHBondContact OD1-O 3.34Å; N870-D909 WeakPolarHBondContact ND2-CB 3.45Å; N870-D909 PolarHBondContact ND2-N 2.92Å; N870-D909 PolarHBondContact ND2-O 3.17Å; N870-D909 PolarHBondContact OD1-O 3.47Å |
| 871 | Q | 89.2 | Confident | 84.7 | Confident | 123 Ų | 123 | 67.6 Ų | 67.6 | 58% | 0.575 | 31% | 0.314 | S | S | * | . | H | α-helix | trans | -57.4 | -41.5 | 174.1 | -75.1 | 170.1 | 0.5 | 0 | 0 | 111.8 | L867 H868 V869 K875 | L867-Q871 VanDerWaalsContact O-CG 3.27Å; L867-Q871 WeakPolarHBondContact O-CG 3.17Å; L867-Q871 PolarHBondContact O-N 3.22Å; H868-Q871 WeakPolarHBondContact O-CB 3.43Å; H868-Q871 PolarHBondContact O-N 3.39Å; V869-Q871 PolarHBondContact O-N 3.22Å; Q871-K875 WeakPolarHBondContact O-CB 3.23Å; Q871-K875 PolarHBondContact O-N 2.9Å |
| 872 | V | 88.7 | Confident | 85.8 | Confident | 31 Ų | 31 | 60.3 Ų | 60.3 | 19% | 0.188 | 29% | 0.286 | C | S | . | . | H | α-helix | trans | -67 | -47.3 | 176.5 | 177.3 | 0 | 0 | 0 | 0 | 111.1 | W739 V801 H868 V869 N870 R874 K875 I876 | W739-V872 HydrophobicContact CH2-CG1 4.02Å; V801-V872 HydrophobicContact CG1-CG1 3.99Å; H868-V872 WeakPolarHBondContact O-CG2 3.31Å; H868-V872 PolarHBondContact O-N 3.4Å; H868-V872 VanDerWaalsContact O-N 3.1Å; V869-V872 WeakPolarHBondContact O-CB 3.39Å; V869-V872 PolarHBondContact O-N 3.32Å; V869-V872 VanDerWaalsContact O-N 3.15Å; N870-V872 VanDerWaalsContact C-N 3.27Å; N870-V872 PolarHBondContact O-N 3.32Å; V872-R874 VanDerWaalsContact C-N 3.34Å; V872-R874 PolarHBondContact O-N 2.94Å; V872-K875 PolarHBondContact O-N 3.05Å; V872-I876 HydrophobicContact CG1-CD1 4.14Å; V872-I876 PolarHBondContact O-N 3.26Å |
| 873 | I | 90.2 | Very high | 86.9 | Confident | 0 Ų | 0 | 57 Ų | 57 | 0% | 0 | 27% | 0.27 | C | S | . | . | H | α-helix | trans | -57.9 | -48.4 | 177.3 | -65.5 | 169.3 | 0 | 0 | 0 | 109.8 | W739 F741 V869 N870 K875 I876 S877 V883 L885 L907 L911 | W739-I873 HydrophobicContact CD2-CD1 4.4Å; W739-I873 HydrophobicContact CD2-CG1 3.8Å; W739-I873 HydrophobicContact CE3-CG1 4.03Å; W739-I873 HydrophobicContact CG-CG1 4.36Å; W739-I873 HydrophobicContact CH2-CG1 4.07Å; W739-I873 HydrophobicContact CZ2-CB 4.19Å; W739-I873 HydrophobicContact CZ2-CG1 3.86Å; W739-I873 HydrophobicContact CZ2-CG2 4.41Å; W739-I873 HydrophobicContact CZ3-CG1 4.16Å; F741-I873 HydrophobicContact CZ-CD1 4.39Å; V869-I873 HydrophobicContact CG1-CD1 3.74Å; V869-I873 HydrophobicContact CG1-CG1 4.26Å; V869-I873 VanDerWaalsContact O-CG1 3.3Å; V869-I873 WeakPolarHBondContact O-CG1 3.22Å; V869-I873 PolarHBondContact O-N 3.33Å; N870-I873 PolarHBondContact O-N 2.91Å; I873-K875 VanDerWaalsContact C-N 3.31Å; I873-K875 PolarHBondContact O-N 3.21Å; I873-I876 PolarHBondContact O-N 3.29Å; I873-S877 WeakPolarHBondContact O-CA 3.27Å; I873-S877 VanDerWaalsContact O-CB 3.23Å; I873-S877 WeakPolarHBondContact O-CB 3.03Å; I873-S877 PolarHBondContact O-N 3.32Å; I873-V883 HydrophobicContact CG2-CG1 4.29Å; I873-L885 HydrophobicContact CD1-CD2 4.19Å; I873-L907 HydrophobicContact CD1-CD1 4.49Å; I873-L911 HydrophobicContact CG2-CD1 3.87Å; I873-L911 HydrophobicContact CG2-CD2 4.05Å |
| 874 | R | 90.2 | Very high | 87.8 | Confident | 96 Ų | 96 | 54 Ų | 54 | 36% | 0.362 | 26% | 0.256 | S | S | . | . | H | α-helix | trans | -62.3 | -36.4 | 179.4 | -72.8 | 176.4 | 67.1 | -151.7 | -7.8 | 112.9 | N870 V872 I876 S878 L911 | N870-R874 WeakPolarHBondContact O-CB 3.12Å; N870-R874 VanDerWaalsContact O-CG 3.28Å; N870-R874 WeakPolarHBondContact O-CG 3.36Å; N870-R874 PolarHBondContact O-N 2.98Å; N870-R874 WeakPolarHBondContact OD1-CD 3.44Å; N870-R874 VanDerWaalsContact OD1-CG 3.32Å; N870-R874 WeakPolarHBondContact OD1-CG 3.45Å; V872-R874 VanDerWaalsContact C-N 3.34Å; V872-R874 PolarHBondContact O-N 2.94Å; R874-I876 VanDerWaalsContact C-N 3.3Å; R874-I876 PolarHBondContact O-N 2.77Å; R874-S878 WeakPolarHBondContact O-CB 3.36Å; R874-S878 PolarHBondContact O-N 3.35Å; R874-L911 HydrophobicContact CG-CD2 3.81Å |
| 875 | K | 90 | Very high | 88.2 | Confident | 181 Ų | 181 | 45.9 Ų | 45.9 | 79% | 0.787 | 23% | 0.225 | S | C | * | . | H | α-helix | trans | -64.8 | -34.5 | 177.5 | -171.9 | 177.7 | 179.9 | -179.3 | 0 | 112.2 | Q871 V872 I873 | Q871-K875 WeakPolarHBondContact O-CB 3.23Å; Q871-K875 PolarHBondContact O-N 2.9Å; V872-K875 PolarHBondContact O-N 3.05Å; I873-K875 VanDerWaalsContact C-N 3.31Å; I873-K875 PolarHBondContact O-N 3.21Å |
| 876 | I | 89.9 | Confident | 88.6 | Confident | 44 Ų | 44 | 45.9 Ų | 45.9 | 23% | 0.226 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -97.7 | -38.5 | -173.7 | -64 | 178.5 | 0 | 0 | 0 | 112.5 | W739 R767 F769 V801 V872 I873 R874 | W739-I876 HydrophobicContact CH2-CD1 4.01Å; W739-I876 HydrophobicContact CZ2-CB 4.15Å; W739-I876 HydrophobicContact CZ2-CD1 4.37Å; W739-I876 HydrophobicContact CZ2-CG2 4.26Å; R767-I876 PolarHBondContact NH2-O 3.4Å; F769-I876 HydrophobicContact CD1-CG2 4.17Å; F769-I876 HydrophobicContact CE1-CG2 3.5Å; F769-I876 VanDerWaalsContact CE1-CG2 3.5Å; F769-I876 HydrophobicContact CE2-CG2 4.3Å; F769-I876 HydrophobicContact CZ-CG2 3.57Å; V801-I876 HydrophobicContact CG1-CD1 4.47Å; V801-I876 HydrophobicContact CG2-CD1 4.26Å; V872-I876 HydrophobicContact CG1-CD1 4.14Å; V872-I876 PolarHBondContact O-N 3.26Å; I873-I876 PolarHBondContact O-N 3.29Å; R874-I876 VanDerWaalsContact C-N 3.3Å; R874-I876 PolarHBondContact O-N 2.77Å |
| 877 | S | 88.8 | Confident | 88.7 | Confident | 1 Ų | 1 | 45.9 Ų | 45.9 | 1% | 0.007 | 23% | 0.225 | C | C | . | . | H | α-helix | trans | -105.2 | 15.2 | -170 | -63.1 | 0 | 0 | 0 | 0 | 113.5 | D737 W739 I873 L879 S880 | D737-S877 WeakPolarHBondContact OD2-CA 3.43Å; D737-S877 WeakPolarHBondContact OD2-CB 3.48Å; D737-S877 PolarHBondContact OD2-OG 2.89Å; W739-S877 PolarHBondContact NE1-OG 2.86Å; I873-S877 WeakPolarHBondContact O-CA 3.27Å; I873-S877 VanDerWaalsContact O-CB 3.23Å; I873-S877 WeakPolarHBondContact O-CB 3.03Å; I873-S877 PolarHBondContact O-N 3.32Å; S877-L879 PolarHBondContact O-N 3.37Å; S877-S880 WeakPolarHBondContact O-CB 3.26Å; S877-S880 PolarHBondContact O-N 2.89Å; S877-S880 PolarHBondContact O-OG 3.37Å |
| 878 | S | 84.7 | Confident | 88.4 | Confident | 88 Ų | 88 | 42.2 Ų | 42.2 | 62% | 0.615 | 21% | 0.206 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -57.1 | -31.3 | 176.7 | 55.3 | 0 | 0 | 0 | 0 | 114 | R874 | R874-S878 WeakPolarHBondContact O-CB 3.36Å; R874-S878 PolarHBondContact O-N 3.35Å |
| 879 | L | 85.7 | Confident | 87.8 | Confident | 130 Ų | 130 | 42.4 Ų | 42.4 | 68% | 0.681 | 21% | 0.209 | S | C | * | . | T | Hydrogen-bonded Turn | trans | -91.6 | -0.8 | 178.6 | -63.9 | 174.9 | 0 | 0 | 0 | 113.8 | S877 | S877-L879 PolarHBondContact O-N 3.37Š|
| 880 | S | 88.9 | Confident | 87.1 | Confident | 5 Ų | 5 | 42.9 Ų | 42.9 | 4% | 0.035 | 21% | 0.212 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -74.7 | 145.3 | -178.3 | 70.9 | 0 | 0 | 0 | 0 | 111.3 | D737 S877 V883 | D737-S880 WeakPolarHBondContact OD2-CB 2.98Å; S877-S880 WeakPolarHBondContact O-CB 3.26Å; S877-S880 PolarHBondContact O-N 2.89Å; S877-S880 PolarHBondContact O-OG 3.37Å; S880-V883 WeakPolarHBondContact OG-CG2 3.15Å |
| 881 | K | 90 | Very high | 86.2 | Confident | 107 Ų | 107 | 44 Ų | 44 | 47% | 0.465 | 22% | 0.22 | S | C | . | . | E | Extended strand (participates in β ladder) | trans | -94.7 | -15 | 176.7 | -68.2 | -66 | -172.5 | -178.9 | 0 | 112.6 | V732 Y735 W761 T913 | V732-K881 HydrophobicContact CG1-CB 3.85Å; V732-K881 HydrophobicContact CG1-CD 4.11Å; V732-K881 HydrophobicContact CG1-CG 3.68Å; Y735-K881 PolarHBondContact O-N 3.01Å; W761-K881 HydrophobicContact CH2-CB 4.42Å; W761-K881 HydrophobicContact CZ3-CB 3.94Å; K881-T913 PolarHBondContact O-OG1 3.17Å |
| 882 | L | 92.3 | Very high | 85.2 | Confident | 0 Ų | 0 | 46.2 Ų | 46.2 | 0% | 0 | 23% | 0.227 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -154.5 | 128.8 | 173.6 | 178.8 | 63.3 | 0 | 0 | 0 | 108.6 | F725 I736 D737 L755 W761 I884 L915 | F725-L882 HydrophobicContact CE1-CD1 3.72Å; F725-L882 HydrophobicContact CZ-CD1 3.88Å; I736-L882 HydrophobicContact CG1-CB 4.46Å; I736-L882 HydrophobicContact CG2-CB 4.45Å; I736-L882 HydrophobicContact CG2-CD2 4.23Å; D737-L882 PolarHBondContact N-O 2.85Å; L755-L882 HydrophobicContact CD1-CD2 3.56Å; W761-L882 HydrophobicContact CH2-CB 3.71Å; W761-L882 HydrophobicContact CH2-CD2 4.32Å; W761-L882 HydrophobicContact CZ2-CD2 4.43Å; W761-L882 HydrophobicContact CZ3-CB 3.83Å; L882-I884 HydrophobicContact CD2-CD1 4.31Å; L882-I884 HydrophobicContact CD2-CG1 4.19Å; L882-I884 HydrophobicContact CG-CG1 4.16Å; L882-L915 HydrophobicContact CD1-CB 4.19Å |
| 883 | V | 93.7 | Very high | 84.2 | Confident | 0 Ų | 0 | 50.9 Ų | 50.9 | 0% | 0 | 25% | 0.247 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -110.1 | 121 | 171.1 | -160.7 | 0 | 0 | 0 | 0 | 109.3 | D737 W739 I873 S880 L885 T913 V914 L915 | D737-V883 HydrophobicContact CB-CG1 4.37Å; D737-V883 CarbonylContact O-C 3.56Å; D737-V883 WeakPolarHBondContact O-CA 3.25Å; W739-V883 VanDerWaalsContact CD1-CG1 3.42Å; W739-V883 HydrophobicContact CG-CG1 4.48Å; I873-V883 HydrophobicContact CG2-CG1 4.29Å; S880-V883 WeakPolarHBondContact OG-CG2 3.15Å; V883-L885 HydrophobicContact CB-CD2 4.22Å; V883-L885 HydrophobicContact CG1-CD2 3.34Å; V883-L885 HydrophobicContact CG1-CG 4.35Å; V883-T913 PolarHBondContact N-O 3.38Å; V883-V914 CarbonylContact O-C 3.58Å; V883-V914 VanDerWaalsContact O-CA 3.3Å; V883-V914 WeakPolarHBondContact O-CA 3.04Å; V883-L915 PolarHBondContact O-N 2.93Å |
| 884 | I | 93.3 | Very high | 83.4 | Confident | 0 Ų | 0 | 54 Ų | 54 | 0% | 0 | 26% | 0.262 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -100.4 | 122.8 | 175.2 | -52.1 | -173.2 | 0 | 0 | 0 | 108 | I736 D737 V738 W739 L748 L751 P752 L882 L915 | I736-I884 HydrophobicContact CG2-CD1 4.2Å; I736-I884 HydrophobicContact CG2-CG1 4.43Å; D737-I884 PolarHBondContact O-N 3.1Å; V738-I884 HydrophobicContact CG2-CB 4.49Å; V738-I884 HydrophobicContact CG2-CD1 4.49Å; W739-I884 PolarHBondContact N-O 3.47Å; L748-I884 HydrophobicContact CD2-CG2 3.77Å; L751-I884 HydrophobicContact CB-CD1 4.07Å; L751-I884 HydrophobicContact CD1-CG2 4.33Å; P752-I884 HydrophobicContact CG-CD1 3.75Å; L882-I884 HydrophobicContact CD2-CD1 4.31Å; L882-I884 HydrophobicContact CD2-CG1 4.19Å; L882-I884 HydrophobicContact CG-CG1 4.16Å; I884-L915 WeakPolarHBondContact CA-O 3.27Å; I884-L915 HydrophobicContact CD1-CD2 4.38Å; I884-L915 HydrophobicContact CG1-CB 4.3Å |
| 885 | L | 90.3 | Very high | 82.4 | Confident | 0 Ų | 0 | 57.2 Ų | 57.2 | 0% | 0 | 28% | 0.281 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -126.6 | 154.5 | -177.2 | -29.4 | 163.8 | 0 | 0 | 0 | 110.4 | W739 I873 V883 T908 V914 L915 L916 A917 | W739-L885 HydrophobicContact CB-CD2 4.08Å; W739-L885 HydrophobicContact CG-CD2 4.29Å; I873-L885 HydrophobicContact CD1-CD2 4.19Å; V883-L885 HydrophobicContact CB-CD2 4.22Å; V883-L885 HydrophobicContact CG1-CD2 3.34Å; V883-L885 HydrophobicContact CG1-CG 4.35Å; L885-T908 HydrophobicContact CD1-CG2 3.48Å; L885-T908 VanDerWaalsContact CD1-CG2 3.48Å; L885-V914 HydrophobicContact CD1-CG1 3.32Å; L885-V914 HydrophobicContact CG-CG1 3.75Å; L885-L915 PolarHBondContact N-O 3.18Å; L885-L916 HydrophobicContact CB-CD2 4.1Å; L885-L916 HydrophobicContact CD1-CD2 3.72Å; L885-L916 HydrophobicContact CG-CD2 4.35Å; L885-L916 WeakPolarHBondContact O-CA 3.05Å; L885-A917 PolarHBondContact O-N 3.44Å |
| 886 | N | 86.4 | Confident | 81.6 | Confident | 3 Ų | 3 | 50.2 Ų | 50.2 | 2% | 0.016 | 25% | 0.252 | C | S | . | . | E | Extended strand (participates in β ladder) | trans | -73 | 127.8 | 168.8 | -55 | 15.2 | 0 | 0 | 0 | 108.6 | W739 F741 Q743 L748 A917 | W739-N886 PolarHBondContact O-OD1 3.02Å; W739-N886 VanDerWaalsContact O-OD1 3.09Å; F741-N886 HydrophobicContact CB-CB 4.45Å; F741-N886 HydrophobicContact CD2-CB 4.2Å; F741-N886 PolarHBondContact N-ND2 3.26Å; F741-N886 VanDerWaalsContact N-ND2 3.15Å; F741-N886 PolarHBondContact O-ND2 3.43Å; F741-N886 VanDerWaalsContact O-ND2 3.14Å; Q743-N886 PolarHBondContact O-ND2 2.97Å; L748-N886 WeakPolarHBondContact CD1-OD1 3.21Å; L748-N886 WeakPolarHBondContact CD2-OD1 3.41Å; N886-A917 WeakPolarHBondContact CA-O 3.38Å |
| 887 | L | 84.1 | Confident | 81 | Confident | 1 Ų | 1 | 48.1 Ų | 48.1 | 1% | 0.005 | 24% | 0.241 | C | C | . | . | P | Polyproline II helix | trans | -72.5 | 129.2 | 168.4 | -173.4 | 73.9 | 0 | 0 | 0 | 108.8 | F709 L718 L720 Y900 V904 L916 A917 R918 | F709-L887 HydrophobicContact CD1-CD2 4.21Å; F709-L887 HydrophobicContact CE1-CD2 3.89Å; L718-L887 HydrophobicContact CD2-CD2 3.8Å; L720-L887 HydrophobicContact CD1-CD1 4.16Å; L720-L887 HydrophobicContact CD1-CD2 4.05Å; L887-Y900 WeakPolarHBondContact CG-OH 3.11Å; L887-V904 HydrophobicContact CD1-CG1 4.28Å; L887-V904 HydrophobicContact CD1-CG2 4.26Å; L887-L916 HydrophobicContact CB-CB 4.3Å; L887-L916 HydrophobicContact CD1-CB 4.04Å; L887-L916 HydrophobicContact CD1-CD1 3.91Å; L887-L916 HydrophobicContact CD1-CD2 4.27Å; L887-L916 HydrophobicContact CD1-CG 4.31Å; L887-A917 PolarHBondContact N-O 2.04Å; L887-R918 HydrophobicContact CB-CB 4.13Å; L887-R918 HydrophobicContact CD2-CB 4.35Å; L887-R918 WeakPolarHBondContact O-CD 3.41Å; L887-R918 PolarHBondContact O-NH1 3.29Å |
| 888 | P | 78.6 | Confident | 80.4 | Confident | 3 Ų | 3 | 49.8 Ų | 49.8 | 2% | 0.019 | 25% | 0.252 | C | S | . | . | P | Polyproline II helix | trans | -65.2 | 157.4 | 173.5 | 25.3 | -31.4 | 0 | 0 | 0 | 110.9 | F811 S890 Y900 V904 | F811-P888 HydrophobicContact CE1-CB 4.1Å; P888-S890 PolarHBondContact O-N 3.32Å; P888-Y900 HydrophobicContact CB-CE2 4.25Å; P888-Y900 HydrophobicContact CG-CE2 3.88Å; P888-Y900 WeakPolarHBondContact O-CE2 3.36Å; P888-Y900 PolarHBondContact O-OH 3.32Å; P888-V904 HydrophobicContact CG-CG2 3.72Å |
| 889 | L | 72.2 | Confident | 80.1 | Confident | 73 Ų | 73 | 47 Ų | 47 | 38% | 0.382 | 23% | 0.231 | S | C | . | . | P | Polyproline II helix | trans | -65.2 | 133.4 | -178.5 | -171.6 | 70.5 | 0 | 0 | 0 | 111 | E814 Y900 | E814-L889 WeakPolarHBondContact OE2-CD2 3.21Å; L889-Y900 WeakPolarHBondContact O-CE2 3.44Å |
| 890 | S | 73.2 | Confident | 79.9 | Confident | 10 Ų | 10 | 41.6 Ų | 41.6 | 7% | 0.07 | 20% | 0.202 | C | C | . | . | P | Polyproline II helix | trans | -66.9 | 136.3 | 174.3 | 59.6 | 0 | 0 | 0 | 0 | 110.7 | P888 | P888-S890 PolarHBondContact O-N 3.32Š|
| 891 | P | 69.7 | Low | 79.6 | Confident | 28 Ų | 28 | 41.4 Ų | 41.4 | 18% | 0.182 | 20% | 0.2 | C | C | . | . | P | Polyproline II helix | trans | -64.8 | 148.3 | 176.6 | 23.6 | -31.7 | 0 | 0 | 0 | 111.7 | H893 L896 M897 Y900 | P891-H893 VanDerWaalsContact C-N 3.32Å; P891-H893 PolarHBondContact O-N 2.87Å; P891-L896 HydrophobicContact CB-CB 3.7Å; P891-L896 HydrophobicContact CB-CD1 3.93Å; P891-L896 HydrophobicContact CB-CG 4.5Å; P891-L896 HydrophobicContact CG-CB 3.56Å; P891-M897 HydrophobicContact CB-CE 4.42Å; P891-M897 HydrophobicContact CG-CE 3.31Å; P891-Y900 HydrophobicContact CG-CG 4.33Å |
| 892 | K | 67.3 | Low | 79.3 | Confident | 169 Ų | 169 | 40.7 Ų | 40.7 | 74% | 0.735 | 20% | 0.199 | S | C | * | . | S | Bend | trans | -65.6 | -36.4 | 179.5 | -67.4 | -179 | -177.7 | 171.4 | 0 | 112.1 | H706 | H706-K892 PolarHBondContact NE2-O 3.45Š|
| 893 | H | 69.7 | Low | 78.9 | Confident | 129 Ų | 129 | 41 Ų | 41 | 60% | 0.597 | 20% | 0.2 | S | C | * | . | S | Bend | trans | -86.2 | 132.6 | -178.2 | -59.8 | -75.2 | 0 | 0 | 0 | 111.2 | P891 E895 L896 | P891-H893 VanDerWaalsContact C-N 3.32Å; P891-H893 PolarHBondContact O-N 2.87Å; H893-E895 PolarHBondContact O-N 2.02Å; H893-L896 HydrophobicContact CB-CD1 4.42Å; H893-L896 PolarHBondContact O-N 3.06Å |
| 894 | Q | 71.7 | Confident | 78.5 | Confident | 66 Ų | 66 | 41 Ų | 41 | 31% | 0.308 | 20% | 0.2 | S | C | . | . | G | 310 helix | trans | -59.2 | -35.7 | 178.8 | 176.9 | 179.4 | -30.4 | 0 | 0 | 112.3 | W702 T703 H706 L896 M897 | W702-Q894 HydrophobicContact CB-CG 4.45Å; T703-Q894 PolarHBondContact OG1-NE2 3.48Å; T703-Q894 PolarHBondContact OG1-OE1 2.95Å; H706-Q894 HydrophobicContact CB-CG 4.37Å; Q894-L896 PolarHBondContact O-N 2.94Å; Q894-L896 VanDerWaalsContact O-N 3.16Å; Q894-M897 VanDerWaalsContact O-CB 3.3Å; Q894-M897 WeakPolarHBondContact O-CB 3.14Å; Q894-M897 VanDerWaalsContact O-CG 3.25Å; Q894-M897 WeakPolarHBondContact O-CG 3.09Å; Q894-M897 PolarHBondContact O-N 2.97Å |
| 895 | E | 69.5 | Low | 78.2 | Confident | 164 Ų | 164 | 43.2 Ų | 43.2 | 77% | 0.766 | 21% | 0.21 | S | C | * | . | G | 310 helix | trans | -62.3 | -23.5 | -176.6 | -62.4 | 177.7 | -175.2 | 0 | 0 | 113.3 | H893 P898 | H893-E895 PolarHBondContact O-N 2.02Å; E895-P898 VanDerWaalsContact O-CD 3.32Å; E895-P898 WeakPolarHBondContact O-CD 3.44Å |
| 896 | L | 72.7 | Confident | 78.1 | Confident | 33 Ų | 33 | 43.6 Ų | 43.6 | 17% | 0.173 | 21% | 0.214 | C | C | . | . | G | 310 helix | trans | -88.2 | -3.8 | 178.9 | -69 | 176 | 0 | 0 | 0 | 113.7 | M855 P891 H893 Q894 P898 V899 Y900 | M855-L896 HydrophobicContact CE-CD2 4.19Å; M855-L896 HydrophobicContact CG-CD1 4.34Å; M855-L896 HydrophobicContact CG-CD2 3.93Å; M855-L896 HydrophobicContact SD-CD1 3.96Å; M855-L896 HydrophobicContact SD-CD2 3.7Å; M855-L896 HydrophobicContact SD-CG 4.08Å; P891-L896 HydrophobicContact CB-CB 3.7Å; P891-L896 HydrophobicContact CB-CD1 3.93Å; P891-L896 HydrophobicContact CB-CG 4.5Å; P891-L896 HydrophobicContact CG-CB 3.56Å; H893-L896 HydrophobicContact CB-CD1 4.42Å; H893-L896 PolarHBondContact O-N 3.06Å; Q894-L896 PolarHBondContact O-N 2.94Å; Q894-L896 VanDerWaalsContact O-N 3.16Å; L896-P898 VanDerWaalsContact C-CD 3.49Å; L896-V899 PolarHBondContact O-N 3.05Å; L896-Y900 WeakPolarHBondContact O-CB 3.33Å; L896-Y900 PolarHBondContact O-N 3.32Å |
| 897 | M | 78.1 | Confident | 78.1 | Confident | 0 Ų | 0 | 43.5 Ų | 43.5 | 0% | 0 | 21% | 0.213 | C | C | . | . | H | α-helix | trans | -58.1 | -42.1 | 178.7 | -71.5 | -72.4 | 99.7 | 0 | 0 | 114.2 | W702 I705 H706 P891 Q894 Y900 L901 | W702-M897 HydrophobicContact CE3-CB 3.69Å; W702-M897 HydrophobicContact CZ3-CB 4.06Å; I705-M897 HydrophobicContact CG2-SD 4.23Å; H706-M897 HydrophobicContact CB-CG 3.91Å; H706-M897 HydrophobicContact CB-SD 3.99Å; P891-M897 HydrophobicContact CB-CE 4.42Å; P891-M897 HydrophobicContact CG-CE 3.31Å; Q894-M897 VanDerWaalsContact O-CB 3.3Å; Q894-M897 WeakPolarHBondContact O-CB 3.14Å; Q894-M897 VanDerWaalsContact O-CG 3.25Å; Q894-M897 WeakPolarHBondContact O-CG 3.09Å; Q894-M897 PolarHBondContact O-N 2.97Å; M897-Y900 PolarHBondContact O-N 3.48Å; M897-L901 PolarHBondContact O-N 2.56Å |
| 898 | P | 77.2 | Confident | 78.4 | Confident | 37 Ų | 37 | 43.6 Ų | 43.6 | 24% | 0.24 | 21% | 0.214 | C | C | . | . | H | α-helix | trans | -61.8 | -45.2 | 177.7 | -20.4 | 32.4 | 0 | 0 | 0 | 111.9 | W702 E895 L896 Y900 L901 E902 | W702-P898 HydrophobicContact CD2-CG 4.06Å; W702-P898 HydrophobicContact CE3-CG 3.99Å; W702-P898 HydrophobicContact CH2-CB 3.69Å; W702-P898 HydrophobicContact CH2-CG 3.71Å; W702-P898 HydrophobicContact CZ2-CB 4.03Å; W702-P898 HydrophobicContact CZ2-CG 3.79Å; W702-P898 HydrophobicContact CZ3-CB 4.06Å; W702-P898 HydrophobicContact CZ3-CG 3.8Å; E895-P898 VanDerWaalsContact O-CD 3.32Å; E895-P898 WeakPolarHBondContact O-CD 3.44Å; L896-P898 VanDerWaalsContact C-CD 3.49Å; P898-Y900 VanDerWaalsContact C-N 3.31Å; P898-Y900 PolarHBondContact O-N 3.28Å; P898-L901 PolarHBondContact O-N 3.27Å; P898-E902 WeakPolarHBondContact O-CB 3.29Å; P898-E902 PolarHBondContact O-N 3.05Å |
| 899 | V | 78.1 | Confident | 78.8 | Confident | 30 Ų | 30 | 46.5 Ų | 46.5 | 18% | 0.182 | 23% | 0.229 | C | C | . | . | H | α-helix | trans | -62.7 | -40.1 | 177.6 | 180 | 0 | 0 | 0 | 0 | 110.9 | W856 A859 L896 E902 H903 | W856-V899 HydrophobicContact CH2-CG2 4.45Å; W856-V899 HydrophobicContact CZ3-CG2 4.08Å; A859-V899 HydrophobicContact CB-CG1 3.72Å; L896-V899 PolarHBondContact O-N 3.05Å; V899-E902 PolarHBondContact O-N 2.74Å; V899-H903 WeakPolarHBondContact O-CB 3.24Å; V899-H903 PolarHBondContact O-N 3.18Å |
| 900 | Y | 80.4 | Confident | 79.4 | Confident | 16 Ų | 16 | 50 Ų | 50 | 6% | 0.063 | 24% | 0.242 | C | C | . | . | H | α-helix | trans | -65.1 | -44.2 | 176.4 | 172.5 | -98.1 | 0 | 0 | 0 | 112.7 | F709 L887 P888 L889 P891 L896 M897 P898 E902 H903 V904 | F709-Y900 HydrophobicContact CD1-CE1 4.06Å; F709-Y900 AromaticContact CE1-CE1 3.88Å; F709-Y900 HydrophobicContact CE1-CE1 3.88Å; L887-Y900 WeakPolarHBondContact CG-OH 3.11Å; P888-Y900 HydrophobicContact CB-CE2 4.25Å; P888-Y900 HydrophobicContact CG-CE2 3.88Å; P888-Y900 WeakPolarHBondContact O-CE2 3.36Å; P888-Y900 PolarHBondContact O-OH 3.32Å; L889-Y900 WeakPolarHBondContact O-CE2 3.44Å; P891-Y900 HydrophobicContact CG-CG 4.33Å; L896-Y900 WeakPolarHBondContact O-CB 3.33Å; L896-Y900 PolarHBondContact O-N 3.32Å; M897-Y900 PolarHBondContact O-N 3.48Å; P898-Y900 VanDerWaalsContact C-N 3.31Å; P898-Y900 PolarHBondContact O-N 3.28Å; Y900-E902 VanDerWaalsContact C-N 3.31Å; Y900-E902 PolarHBondContact O-N 3.26Å; Y900-H903 WeakPolarHBondContact O-CB 3.22Å; Y900-H903 PolarHBondContact O-N 2.78Å; Y900-V904 HydrophobicContact CE1-CG2 4.1Å; Y900-V904 HydrophobicContact CE2-CG2 4.17Å; Y900-V904 WeakPolarHBondContact O-CG2 3.19Å; Y900-V904 PolarHBondContact O-N 3.26Å |
| 901 | L | 83.1 | Confident | 80 | Confident | 0 Ų | 0 | 50.5 Ų | 50.5 | 0% | 0 | 24% | 0.243 | C | C | . | . | H | α-helix | trans | -64 | -39.7 | 175.6 | -72.7 | -177.3 | 0 | 0 | 0 | 111.4 | W686 W690 W702 I705 M897 P898 H903 V904 E905 | W686-L901 HydrophobicContact CH2-CD2 3.63Å; W686-L901 HydrophobicContact CZ2-CD2 4.17Å; W686-L901 HydrophobicContact CZ3-CD2 4.3Å; W690-L901 HydrophobicContact CB-CD1 4.36Å; W690-L901 HydrophobicContact CD2-CB 4.21Å; W690-L901 HydrophobicContact CD2-CD1 3.97Å; W690-L901 HydrophobicContact CE3-CB 4.27Å; W690-L901 HydrophobicContact CE3-CD1 4.14Å; W690-L901 HydrophobicContact CG-CD1 4.09Å; W690-L901 HydrophobicContact CH2-CB 4.02Å; W690-L901 HydrophobicContact CZ2-CB 3.95Å; W690-L901 HydrophobicContact CZ3-CB 4.17Å; W702-L901 HydrophobicContact CH2-CD1 4.06Å; W702-L901 HydrophobicContact CZ3-CD1 3.63Å; W702-L901 HydrophobicContact CZ3-CG 4.47Å; I705-L901 HydrophobicContact CD1-CD1 3.9Å; M897-L901 PolarHBondContact O-N 2.56Å; P898-L901 PolarHBondContact O-N 3.27Å; L901-H903 VanDerWaalsContact C-N 3.33Å; L901-H903 PolarHBondContact O-N 3.28Å; L901-V904 PolarHBondContact O-N 3.2Å; L901-E905 VanDerWaalsContact O-CB 3.29Å; L901-E905 WeakPolarHBondContact O-CB 3.35Å; L901-E905 PolarHBondContact O-N 2.73Å |
| 902 | E | 83.7 | Confident | 80.3 | Confident | 93 Ų | 93 | 52.8 Ų | 52.8 | 44% | 0.435 | 26% | 0.258 | S | S | . | . | H | α-helix | trans | -62.3 | -40.3 | 174.4 | -168.5 | 175.2 | -171.7 | 0 | 0 | 111.8 | W690 M863 P898 V899 Y900 E905 A906 | W690-E902 HydrophobicContact CH2-CB 4.01Å; M863-E902 HydrophobicContact CE-CG 3.66Å; M863-E902 WeakPolarHBondContact CE-OE1 3.4Å; M863-E902 HydrophobicContact SD-CG 4.26Å; P898-E902 WeakPolarHBondContact O-CB 3.29Å; P898-E902 PolarHBondContact O-N 3.05Å; V899-E902 PolarHBondContact O-N 2.74Å; Y900-E902 VanDerWaalsContact C-N 3.31Å; Y900-E902 PolarHBondContact O-N 3.26Å; E902-E905 PolarHBondContact O-N 3.35Å; E902-A906 WeakPolarHBondContact O-CB 3.31Å; E902-A906 PolarHBondContact O-N 3.04Å |
| 903 | H | 83.6 | Confident | 81.4 | Confident | 7 Ų | 7 | 45.3 Ų | 45.3 | 3% | 0.032 | 23% | 0.226 | C | C | . | . | H | α-helix | trans | -61.1 | -46.4 | 173.8 | 172.4 | 82.7 | 0 | 0 | 0 | 112.4 | Q862 V899 Y900 L901 E905 A906 L907 | Q862-H903 PolarHBondContact O-CE1 3.13Å; Q862-H903 PolarHBondContact O-ND1 3.2Å; V899-H903 WeakPolarHBondContact O-CB 3.24Å; V899-H903 PolarHBondContact O-N 3.18Å; Y900-H903 WeakPolarHBondContact O-CB 3.22Å; Y900-H903 PolarHBondContact O-N 2.78Å; L901-H903 VanDerWaalsContact C-N 3.33Å; L901-H903 PolarHBondContact O-N 3.28Å; H903-E905 VanDerWaalsContact C-N 3.34Å; H903-A906 PolarHBondContact O-N 3.37Å; H903-L907 WeakPolarHBondContact O-CB 3.49Å; H903-L907 PolarHBondContact O-N 3.36Å |
| 904 | V | 86.2 | Confident | 82.4 | Confident | 0 Ų | 0 | 39.1 Ų | 39.1 | 0% | 0 | 20% | 0.198 | C | C | . | . | H | α-helix | trans | -67.6 | -36.2 | 177.1 | 177.9 | 0 | 0 | 0 | 0 | 111.3 | W686 L887 P888 Y900 L901 L907 T908 L916 | W686-V904 HydrophobicContact CH2-CB 3.73Å; W686-V904 HydrophobicContact CH2-CG1 3.34Å; W686-V904 HydrophobicContact CZ2-CB 4.36Å; W686-V904 HydrophobicContact CZ2-CG1 4Å; W686-V904 HydrophobicContact CZ3-CG1 3.8Å; L887-V904 HydrophobicContact CD1-CG1 4.28Å; L887-V904 HydrophobicContact CD1-CG2 4.26Å; P888-V904 HydrophobicContact CG-CG2 3.72Å; Y900-V904 HydrophobicContact CE1-CG2 4.1Å; Y900-V904 HydrophobicContact CE2-CG2 4.17Å; Y900-V904 WeakPolarHBondContact O-CG2 3.19Å; Y900-V904 PolarHBondContact O-N 3.26Å; L901-V904 PolarHBondContact O-N 3.2Å; V904-L907 PolarHBondContact O-N 3.12Å; V904-T908 WeakPolarHBondContact O-CG2 3.19Å; V904-T908 PolarHBondContact O-N 2.88Å; V904-T908 VanDerWaalsContact O-N 3.13Å; V904-T908 PolarHBondContact O-OG1 3.25Å; V904-L916 HydrophobicContact CG1-CD1 3.72Å; V904-L916 HydrophobicContact CG1-CD2 4.46Å |
| 905 | E | 87.5 | Confident | 83.4 | Confident | 45 Ų | 45 | 36 Ų | 36 | 21% | 0.21 | 18% | 0.183 | C | C | . | . | H | α-helix | trans | -64.5 | -45.5 | 175 | -161.9 | 64.2 | -146.5 | 0 | 0 | 110.6 | W686 W690 M691 K722 L901 E902 H903 L907 T908 D909 | W686-E905 PolarHBondContact NE1-OE2 3.12Å; W690-E905 HydrophobicContact CZ2-CB 4.13Å; W690-E905 HydrophobicContact CZ2-CG 4.35Å; M691-E905 HydrophobicContact CE-CG 4.16Å; K722-E905 IonicContact NZ-OE1 3.83Å; K722-E905 PolarHBondContact NZ-OE1 2.88Å; K722-E905 IonicContact NZ-OE2 3.62Å; K722-E905 PolarHBondContact NZ-OE2 2.85Å; L901-E905 VanDerWaalsContact O-CB 3.29Å; L901-E905 WeakPolarHBondContact O-CB 3.35Å; L901-E905 PolarHBondContact O-N 2.73Å; E902-E905 PolarHBondContact O-N 3.35Å; H903-E905 VanDerWaalsContact C-N 3.34Å; E905-L907 VanDerWaalsContact C-N 3.31Å; E905-L907 PolarHBondContact O-N 2.89Å; E905-T908 CarbonylContact O-C 3.54Å; E905-T908 PolarHBondContact O-N 3.2Å; E905-T908 VanDerWaalsContact O-N 3.14Å; E905-T908 PolarHBondContact O-OG1 2.94Å; E905-D909 PolarHBondContact O-N 2.87Å |
| 906 | A | 87 | Confident | 84.4 | Confident | 9 Ų | 9 | 28.2 Ų | 28.2 | 7% | 0.074 | 15% | 0.147 | C | C | . | . | H | α-helix | trans | -61.9 | -36.2 | 175.3 | 0 | 0 | 0 | 0 | 0 | 112.8 | M863 A866 L867 N870 E902 H903 T908 | M863-A906 HydrophobicContact CE-CB 4.33Å; A866-A906 HydrophobicContact CB-CB 4.16Å; L867-A906 HydrophobicContact CD2-CB 4.06Å; L867-A906 HydrophobicContact CG-CB 4.38Å; N870-A906 WeakPolarHBondContact CB-O 3.42Å; N870-A906 PolarHBondContact ND2-O 2.91Å; E902-A906 WeakPolarHBondContact O-CB 3.31Å; E902-A906 PolarHBondContact O-N 3.04Å; H903-A906 PolarHBondContact O-N 3.37Å; A906-T908 VanDerWaalsContact C-N 3.31Å; A906-T908 PolarHBondContact O-N 3.17Å |
| 907 | L | 87.4 | Confident | 85.2 | Confident | 1 Ų | 1 | 26.7 Ų | 26.7 | 1% | 0.005 | 14% | 0.139 | C | C | . | . | H | α-helix | trans | -67.4 | -30.9 | 176.2 | -176.6 | 65.9 | 0 | 0 | 0 | 112.6 | F811 A866 V869 N870 I873 H903 V904 E905 | F811-L907 HydrophobicContact CZ-CD2 4.31Å; A866-L907 HydrophobicContact CB-CB 4.16Å; V869-L907 HydrophobicContact CB-CD1 3.91Å; V869-L907 HydrophobicContact CG1-CD1 3.58Å; N870-L907 WeakPolarHBondContact CB-O 3.18Å; N870-L907 PolarHBondContact OD1-O 3.34Å; I873-L907 HydrophobicContact CD1-CD1 4.49Å; H903-L907 WeakPolarHBondContact O-CB 3.49Å; H903-L907 PolarHBondContact O-N 3.36Å; V904-L907 PolarHBondContact O-N 3.12Å; E905-L907 VanDerWaalsContact C-N 3.31Å; E905-L907 PolarHBondContact O-N 2.89Å |
| 908 | T | 89.3 | Confident | 85.6 | Confident | 2 Ų | 2 | 28 Ų | 28 | 1% | 0.012 | 14% | 0.144 | C | C | . | . | H | α-helix | trans | -111.7 | 3.9 | -171.9 | 56 | 0 | 0 | 0 | 0 | 114 | K722 L885 V904 E905 A906 K910 L911 V914 L916 | K722-T908 PolarHBondContact NZ-OG1 3.46Å; L885-T908 HydrophobicContact CD1-CG2 3.48Å; L885-T908 VanDerWaalsContact CD1-CG2 3.48Å; V904-T908 WeakPolarHBondContact O-CG2 3.19Å; V904-T908 PolarHBondContact O-N 2.88Å; V904-T908 VanDerWaalsContact O-N 3.13Å; V904-T908 PolarHBondContact O-OG1 3.25Å; E905-T908 CarbonylContact O-C 3.54Å; E905-T908 PolarHBondContact O-N 3.2Å; E905-T908 VanDerWaalsContact O-N 3.14Å; E905-T908 PolarHBondContact O-OG1 2.94Å; A906-T908 VanDerWaalsContact C-N 3.31Å; A906-T908 PolarHBondContact O-N 3.17Å; T908-K910 PolarHBondContact O-N 2.94Å; T908-L911 PolarHBondContact O-N 3.2Å; T908-V914 HydrophobicContact CG2-CG1 3.98Å; T908-L916 HydrophobicContact CG2-CD2 4.12Å |
| 909 | D | 87.5 | Confident | 85.8 | Confident | 65 Ų | 65 | 26.5 Ų | 26.5 | 35% | 0.348 | 14% | 0.136 | S | C | . | . | T | Hydrogen-bonded Turn | trans | -57 | 134.6 | -177.9 | -179.4 | 42.1 | 0 | 0 | 0 | 111.3 | N870 E905 L911 | N870-D909 WeakPolarHBondContact ND2-CB 3.45Å; N870-D909 PolarHBondContact ND2-N 2.92Å; N870-D909 PolarHBondContact ND2-O 3.17Å; N870-D909 PolarHBondContact OD1-O 3.47Å; E905-D909 PolarHBondContact O-N 2.87Å; D909-L911 PolarHBondContact O-N 3.37Å |
| 910 | K | 84.8 | Confident | 85.8 | Confident | 147 Ų | 147 | 26.3 Ų | 26.3 | 64% | 0.639 | 14% | 0.136 | S | C | * | . | T | Hydrogen-bonded Turn | trans | 60.7 | 16.7 | 179.9 | -62.1 | 165.6 | -173.1 | 175.8 | 0 | 116.3 | T908 | T908-K910 PolarHBondContact O-N 2.94Š|
| 911 | L | 85.5 | Confident | 85.3 | Confident | 19 Ų | 19 | 26.4 Ų | 26.4 | 10% | 0.099 | 14% | 0.142 | C | C | . | . | trans | -89.5 | 130.7 | 167.1 | -62.3 | 177.3 | 0 | 0 | 0 | 109.8 | I873 R874 T908 D909 V914 | I873-L911 HydrophobicContact CG2-CD1 3.87Å; I873-L911 HydrophobicContact CG2-CD2 4.05Å; R874-L911 HydrophobicContact CG-CD2 3.81Å; T908-L911 PolarHBondContact O-N 3.2Å; D909-L911 PolarHBondContact O-N 3.37Å; L911-V914 HydrophobicContact CB-CG2 3.46Å; L911-V914 VanDerWaalsContact CB-CG2 3.46Å; L911-V914 HydrophobicContact CD1-CG2 3.9Å; L911-V914 HydrophobicContact CG-CG2 4.34Å | ||
| 912 | P | 77 | Confident | 84.7 | Confident | 77 Ų | 77 | 31.8 Ų | 31.8 | 50% | 0.5 | 17% | 0.165 | S | C | . | . | S | Bend | trans | -69.8 | -40.1 | -172 | 25.8 | -33.5 | 0 | 0 | 0 | 113.1 | G723 | G723-P912 WeakPolarHBondContact CA-O 3.41Š|
| 913 | T | 89 | Confident | 84.2 | Confident | 11 Ų | 11 | 28 Ų | 28 | 7% | 0.067 | 15% | 0.147 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -144.8 | 116.4 | -174.1 | 40.5 | 0 | 0 | 0 | 0 | 110 | E724 K881 V883 | E724-T913 WeakPolarHBondContact O-CG2 3.26Å; K881-T913 PolarHBondContact O-OG1 3.17Å; V883-T913 PolarHBondContact N-O 3.38Å |
| 914 | V | 91.6 | Very high | 83.5 | Confident | 0 Ų | 0 | 28.8 Ų | 28.8 | 0% | 0 | 15% | 0.152 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -129.3 | 132.7 | -175.2 | -177.4 | 0 | 0 | 0 | 0 | 109.8 | K722 V883 L885 T908 L911 L916 | K722-V914 HydrophobicContact CB-CB 4.32Å; K722-V914 PolarHBondContact N-O 3.48Å; K722-V914 PolarHBondContact O-N 3.14Å; K722-V914 VanDerWaalsContact O-O 3.09Å; V883-V914 CarbonylContact O-C 3.58Å; V883-V914 VanDerWaalsContact O-CA 3.3Å; V883-V914 WeakPolarHBondContact O-CA 3.04Å; L885-V914 HydrophobicContact CD1-CG1 3.32Å; L885-V914 HydrophobicContact CG-CG1 3.75Å; T908-V914 HydrophobicContact CG2-CG1 3.98Å; L911-V914 HydrophobicContact CB-CG2 3.46Å; L911-V914 VanDerWaalsContact CB-CG2 3.46Å; L911-V914 HydrophobicContact CD1-CG2 3.9Å; L911-V914 HydrophobicContact CG-CG2 4.34Å; V914-L916 HydrophobicContact CG1-CD2 4.23Å; V914-L916 HydrophobicContact CG1-CG 4.13Å |
| 915 | L | 92.3 | Very high | 82.7 | Confident | 0 Ų | 0 | 29.4 Ų | 29.4 | 0% | 0 | 16% | 0.156 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -112.4 | 106.8 | 167.9 | -179 | 61.3 | 0 | 0 | 0 | 108.7 | L603 L719 L751 L882 V883 I884 L885 | L603-L915 HydrophobicContact CD2-CD1 3.79Å; L603-L915 HydrophobicContact CD2-CD2 4.49Å; L719-L915 HydrophobicContact CB-CD1 4.33Å; L751-L915 HydrophobicContact CD1-CD2 4.21Å; L882-L915 HydrophobicContact CD1-CB 4.19Å; V883-L915 PolarHBondContact O-N 2.93Å; I884-L915 WeakPolarHBondContact CA-O 3.27Å; I884-L915 HydrophobicContact CD1-CD2 4.38Å; I884-L915 HydrophobicContact CG1-CB 4.3Å; L885-L915 PolarHBondContact N-O 3.18Å |
| 916 | L | 90.9 | Very high | 81.7 | Confident | 0 Ų | 0 | 28.7 Ų | 28.7 | 0% | 0 | 15% | 0.154 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -83.2 | 125.8 | 173.6 | -62.4 | 162 | 0 | 0 | 0 | 108.6 | W686 L719 L720 L885 L887 V904 T908 V914 | W686-L916 HydrophobicContact CE3-CD1 3.96Å; W686-L916 HydrophobicContact CZ3-CD1 3.92Å; L719-L916 CarbonylContact C-O 3.41Å; L719-L916 WeakPolarHBondContact CA-O 3.35Å; L720-L916 HydrophobicContact CB-CB 4.11Å; L720-L916 HydrophobicContact CB-CD1 4.39Å; L720-L916 PolarHBondContact N-O 3.35Å; L720-L916 PolarHBondContact O-N 3.39Å; L885-L916 HydrophobicContact CB-CD2 4.1Å; L885-L916 HydrophobicContact CD1-CD2 3.72Å; L885-L916 HydrophobicContact CG-CD2 4.35Å; L885-L916 WeakPolarHBondContact O-CA 3.05Å; L887-L916 HydrophobicContact CB-CB 4.3Å; L887-L916 HydrophobicContact CD1-CB 4.04Å; L887-L916 HydrophobicContact CD1-CD1 3.91Å; L887-L916 HydrophobicContact CD1-CD2 4.27Å; L887-L916 HydrophobicContact CD1-CG 4.31Å; V904-L916 HydrophobicContact CG1-CD1 3.72Å; V904-L916 HydrophobicContact CG1-CD2 4.46Å; T908-L916 HydrophobicContact CG2-CD2 4.12Å; V914-L916 HydrophobicContact CG1-CD2 4.23Å; V914-L916 HydrophobicContact CG1-CG 4.13Å |
| 917 | A | 89.9 | Confident | 80.7 | Confident | 1 Ų | 1 | 31.5 Ų | 31.5 | 1% | 0.008 | 17% | 0.17 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -123 | 138.9 | 179.7 | 0 | 0 | 0 | 0 | 0 | 111.3 | L718 L719 L747 L748 L751 L885 N886 L887 | L718-A917 CarbonylContact O-C 3.53Å; L718-A917 WeakPolarHBondContact O-CA 3.5Å; L719-A917 HydrophobicContact CD2-CB 3.71Å; L747-A917 HydrophobicContact CD2-CB 4.33Å; L748-A917 HydrophobicContact CD2-CB 4.07Å; L751-A917 HydrophobicContact CD1-CB 3.83Å; L885-A917 PolarHBondContact O-N 3.44Å; N886-A917 WeakPolarHBondContact CA-O 3.38Å; L887-A917 PolarHBondContact N-O 2.04Å |
| 918 | R | 86.6 | Confident | 79.5 | Confident | 27 Ų | 27 | 32.8 Ų | 32.8 | 10% | 0.102 | 18% | 0.176 | C | C | . | . | E | Extended strand (participates in β ladder) | trans | -133.5 | 128.5 | 171.5 | -168.9 | 73.1 | -174.8 | 161.7 | 10.1 | 109.2 | T713 C717 L718 L887 | T713-R918 HydrophobicContact CG2-CG 4.27Å; C717-R918 CarbonylContact C-O 3.56Å; C717-R918 VanDerWaalsContact CA-O 3.26Å; C717-R918 WeakPolarHBondContact CA-O 3.45Å; C717-R918 PolarHBondContact SG-O 3.02Å; L718-R918 HydrophobicContact CB-CB 4.27Å; L718-R918 PolarHBondContact N-O 3.24Å; L718-R918 PolarHBondContact O-N 2.82Å; L887-R918 HydrophobicContact CB-CB 4.13Å; L887-R918 HydrophobicContact CD2-CB 4.35Å; L887-R918 WeakPolarHBondContact O-CD 3.41Å; L887-R918 PolarHBondContact O-NH1 3.29Å |
| 919 | G | 80.4 | Confident | 78.1 | Confident | 7 Ų | 7 | 35.6 Ų | 35.6 | 7% | 0.072 | 20% | 0.196 | C | C | . | . | trans | -79.7 | 157.7 | 169.7 | 0 | 0 | 0 | 0 | 0 | 112.1 | D744 G921 | D744-G919 PolarHBondContact OD2-N 3.24Å; G919-G921 VanDerWaalsContact C-N 3.3Å | ||
| 920 | S | 77.8 | Confident | 77.6 | Confident | 26 Ų | 26 | 34.2 Ų | 34.2 | 18% | 0.182 | 19% | 0.188 | C | C | . | . | trans | -77.1 | -17.6 | 171.9 | 65.9 | 0 | 0 | 0 | 0 | 112.9 | K922 E923 | S920-K922 PolarHBondContact OG-N 2.89Å; S920-E923 VanDerWaalsContact CB-OE1 3.29Å; S920-E923 WeakPolarHBondContact CB-OE1 3.44Å; S920-E923 PolarHBondContact N-OE1 2.93Å; S920-E923 PolarHBondContact N-OE2 3.4Å; S920-E923 VanDerWaalsContact N-OE2 3.15Å; S920-E923 PolarHBondContact OG-OE1 2.94Å; S920-E923 PolarHBondContact OG-OE2 3.29Å | ||
| 921 | G | 70.8 | Confident | 77.2 | Confident | 18 Ų | 18 | 28.2 Ų | 28.2 | 19% | 0.186 | 17% | 0.165 | C | C | . | . | S | Bend | trans | 104.7 | -16.8 | -174.5 | 0 | 0 | 0 | 0 | 0 | 113.7 | R822 G919 E923 | R822-G921 WeakPolarHBondContact CG-O 3.46Å; R822-G921 PolarHBondContact NE-O 3.44Å; G919-G921 VanDerWaalsContact C-N 3.3Å; G921-E923 PolarHBondContact N-OE2 2.94Å |
| 922 | K | 70.2 | Confident | 76.8 | Confident | 112 Ų | 112 | 28.7 Ų | 28.7 | 49% | 0.487 | 17% | 0.168 | S | C | . | . | trans | -96.4 | -5.9 | -174.1 | -62.8 | 176.9 | 179.5 | 171.6 | 0 | 114 | N715 S920 V924 | N715-K922 PolarHBondContact OD1-NZ 3.43Å; S920-K922 PolarHBondContact OG-N 2.89Å; K922-V924 PolarHBondContact O-N 3.14Å | ||
| 923 | E | 73 | Confident | 76.7 | Confident | 15 Ų | 15 | 25.9 Ų | 25.9 | 7% | 0.07 | 15% | 0.149 | C | C | . | . | trans | -79.7 | 113.9 | -175.3 | -55.2 | 84.1 | 179.6 | 0 | 0 | 111.6 | W578 S920 G921 | W578-E923 HydrophobicContact CD2-CB 4.26Å; W578-E923 HydrophobicContact CD2-CG 3.78Å; W578-E923 VanDerWaalsContact CE2-CG 3.46Å; W578-E923 HydrophobicContact CE3-CG 4.33Å; W578-E923 HydrophobicContact CG-CB 4.37Å; W578-E923 HydrophobicContact CG-CG 4.13Å; W578-E923 HydrophobicContact CH2-CG 4.34Å; W578-E923 HydrophobicContact CZ2-CG 3.78Å; S920-E923 VanDerWaalsContact CB-OE1 3.29Å; S920-E923 WeakPolarHBondContact CB-OE1 3.44Å; S920-E923 PolarHBondContact N-OE1 2.93Å; S920-E923 PolarHBondContact N-OE2 3.4Å; S920-E923 VanDerWaalsContact N-OE2 3.15Å; S920-E923 PolarHBondContact OG-OE1 2.94Å; S920-E923 PolarHBondContact OG-OE2 3.29Å; G921-E923 PolarHBondContact N-OE2 2.94Å | ||
| 924 | V | 69 | Low | 76 | Confident | 22 Ų | 22 | 26.8 Ų | 26.8 | 13% | 0.133 | 15% | 0.154 | C | C | . | . | trans | -118.9 | 95.7 | 172.7 | -173.8 | 0 | 0 | 0 | 0 | 109.2 | P575 K576 K922 T926 | P575-V924 CarbonylContact C-O 3.55Å; P575-V924 HydrophobicContact CB-CB 3.86Å; P575-V924 HydrophobicContact CB-CG2 3.96Å; P575-V924 HydrophobicContact CG-CB 4.42Å; P575-V924 HydrophobicContact CG-CG2 4.37Å; P575-V924 CarbonylContact O-C 3.45Å; K576-V924 VanDerWaalsContact CA-O 3.28Å; K576-V924 WeakPolarHBondContact CA-O 2.99Å; K576-V924 PolarHBondContact N-O 3.24Å; K922-V924 PolarHBondContact O-N 3.14Å; V924-T926 HydrophobicContact CG1-CG2 4.4Å; V924-T926 PolarHBondContact O-N 2.79Å | ||
| 925 | I | 69.9 | Low | 74.9 | Confident | 14 Ų | 14 | 28.6 Ų | 28.6 | 7% | 0.072 | 16% | 0.164 | C | C | . | . | trans | -92.8 | 107.8 | -173 | -60.6 | 156.3 | 0 | 0 | 0 | 109.4 | W578 G746 L750 F928 | W578-I925 HydrophobicContact CE3-CD1 4.18Å; W578-I925 HydrophobicContact CE3-CG1 4.35Å; G746-I925 WeakPolarHBondContact O-CD1 3.49Å; L750-I925 HydrophobicContact CB-CD1 4.08Å; L750-I925 HydrophobicContact CD2-CD1 3.7Å; L750-I925 HydrophobicContact CD2-CG1 4.33Å; I925-F928 HydrophobicContact CB-CE1 4.39Å; I925-F928 HydrophobicContact CB-CE2 4.31Å; I925-F928 HydrophobicContact CB-CZ 3.92Å; I925-F928 HydrophobicContact CG2-CD1 4.06Å; I925-F928 HydrophobicContact CG2-CD2 4.06Å; I925-F928 HydrophobicContact CG2-CE1 3.67Å; I925-F928 HydrophobicContact CG2-CE2 3.66Å; I925-F928 HydrophobicContact CG2-CG 4.26Å; I925-F928 HydrophobicContact CG2-CZ 3.46Å; I925-F928 VanDerWaalsContact CG2-CZ 3.46Å; I925-F928 WeakPolarHBondContact O-CE2 3.13Å | ||
| 926 | T | 65.2 | Low | 73.7 | Confident | 29 Ų | 29 | 30.6 Ų | 30.6 | 18% | 0.178 | 18% | 0.176 | C | C | . | . | trans | -100 | -17.5 | 177.7 | 54.2 | 0 | 0 | 0 | 0 | 113.9 | K576 V924 | K576-T926 WeakPolarHBondContact CB-OG1 3.18Å; K576-T926 HydrophobicContact CG-CG2 3.86Å; K576-T926 WeakPolarHBondContact CG-OG1 3.48Å; K576-T926 PolarHBondContact O-OG1 3.17Å; V924-T926 HydrophobicContact CG1-CG2 4.4Å; V924-T926 PolarHBondContact O-N 2.79Å | ||
| 927 | V | 66.6 | Low | 72.4 | Confident | 69 Ų | 69 | 33 Ų | 33 | 42% | 0.418 | 19% | 0.189 | S | C | . | . | trans | -129.3 | 112 | -177.4 | -176.1 | 0 | 0 | 0 | 0 | 110.3 | R579 S929 | R579-V927 PolarHBondContact NH1-O 3.42Å; R579-V927 VanDerWaalsContact NH1-O 3.08Å; R579-V927 PolarHBondContact NH2-O 3.4Å; V927-S929 PolarHBondContact O-N 2.67Å | ||
| 928 | F | 62.4 | Low | 70.9 | Confident | 27 Ų | 27 | 35.7 Ų | 35.7 | 12% | 0.118 | 20% | 0.204 | C | C | . | . | trans | -96.9 | 67 | 177.3 | -64.9 | -99.1 | 0 | 0 | 0 | 109.8 | G746 I749 L750 L792 V794 I925 | G746-F928 WeakPolarHBondContact O-CE1 3.37Å; I749-F928 HydrophobicContact CB-CE1 3.94Å; I749-F928 HydrophobicContact CG2-CD1 3.97Å; I749-F928 HydrophobicContact CG2-CE1 3.74Å; I749-F928 HydrophobicContact CG2-CZ 4.46Å; L750-F928 HydrophobicContact CB-CD1 4.15Å; L750-F928 HydrophobicContact CB-CE1 4Å; L750-F928 HydrophobicContact CD1-CD1 4.13Å; L792-F928 HydrophobicContact CB-CD2 4.08Å; L792-F928 HydrophobicContact CD1-CD2 3.83Å; L792-F928 HydrophobicContact CD1-CE2 3.46Å; L792-F928 VanDerWaalsContact CD1-CE2 3.46Å; L792-F928 HydrophobicContact CD1-CZ 3.95Å; L792-F928 HydrophobicContact CD2-CD2 3.63Å; L792-F928 HydrophobicContact CD2-CE2 3.59Å; L792-F928 HydrophobicContact CG-CD2 4.02Å; L792-F928 HydrophobicContact CG-CE2 4.01Å; V794-F928 HydrophobicContact CG2-CB 4Å; V794-F928 HydrophobicContact CG2-CG 4.33Å; I925-F928 HydrophobicContact CB-CE1 4.39Å; I925-F928 HydrophobicContact CB-CE2 4.31Å; I925-F928 HydrophobicContact CB-CZ 3.92Å; I925-F928 HydrophobicContact CG2-CD1 4.06Å; I925-F928 HydrophobicContact CG2-CD2 4.06Å; I925-F928 HydrophobicContact CG2-CE1 3.67Å; I925-F928 HydrophobicContact CG2-CE2 3.66Å; I925-F928 HydrophobicContact CG2-CG 4.26Å; I925-F928 HydrophobicContact CG2-CZ 3.46Å; I925-F928 VanDerWaalsContact CG2-CZ 3.46Å; I925-F928 WeakPolarHBondContact O-CE2 3.13Å | ||
| 929 | S | 59.3 | Low | 69.5 | Low | 62 Ų | 62 | 36.5 Ų | 36.5 | 43% | 0.434 | 21% | 0.214 | S | C | . | . | trans | -106 | 0 | 162.7 | 58 | 0 | 0 | 0 | 0 | 108.4 | R579 R757 V927 | R579-S929 PolarHBondContact NE-O 3Å; R579-S929 PolarHBondContact NH2-O 3.24Å; R579-S929 PolarHBondContact NH2-OG 3.34Å; R579-S929 VanDerWaalsContact NH2-OG 3.09Å; R757-S929 VanDerWaalsContact CZ-C 3.4Å; R757-S929 PolarHBondContact NH1-O 3.04Å; R757-S929 PolarHBondContact NH1-OXT 3.33Å; R757-S929 PolarHBondContact NH2-OXT 3.18Å; V927-S929 PolarHBondContact O-N 2.67Å |
Retrieved 929 of 929 residues in 1349.5 ms
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